- candid: assign gamma=0.5 ambiguity=20 support=0.02..10.0 transposed=1.0 observa
        ble=1.0 structure=0.4 smooth=1.0 modify volume=0.05 rsupport=0.5 tsupport=0
        .75 quality=0.2 violation=0.1
 
    Peak 2 (11.10, 11.10, 134.86 ppm):
    1 diagonal assignment:
    *     HE1   TRP   49 - HE1   TRP   49  (1.00)  kept
 
    Peak 3 (8.71, 8.71, 131.46 ppm):
    1 diagonal assignment:
    *     HN    ALA   20 - HN    ALA   20  (1.00)  kept
 
    Peak 4 (8.93, 8.93, 131.32 ppm):
    1 diagonal assignment:
    *     HN    ILE   19 - HN    ILE   19  (1.00)  kept
 
    Peak 5 (10.20, 10.20, 129.00 ppm):
    1 diagonal assignment:
    *     HE1   TRP   27 - HE1   TRP   27  (1.00)  kept
 
    Peak 6 (8.53, 8.53, 128.95 ppm):
    1 diagonal assignment:
    *     HN    VAL   75 - HN    VAL   75  (1.00)  kept
 
    Peak 7 (9.14, 9.14, 128.89 ppm):
    1 diagonal assignment:
    *     HN    VAL  108 - HN    VAL  108  (1.00)  kept
 
    Peak 8 (9.10, 9.10, 128.88 ppm):
    1 diagonal assignment:
    *     HN    ASP-  76 - HN    ASP-  76  (1.00)  kept
 
    Peak 9 (7.45, 7.45, 128.80 ppm):
    1 diagonal assignment:
    *     HN    ALA  124 - HN    ALA  124  (1.00)  kept
 
    Peak 10 (10.56, 10.56, 128.74 ppm):
    1 diagonal assignment:
    *     HE1   TRP   87 - HE1   TRP   87  (1.00)  kept
 
    Peak 11 (9.38, 9.38, 128.74 ppm):
    1 diagonal assignment:
    *     HN    LEU  104 - HN    LEU  104  (1.00)  kept
 
    Peak 12 (8.15, 8.15, 128.27 ppm):
    1 diagonal assignment:
    *     HN    LEU   71 - HN    LEU   71  (1.00)  kept
 
    Peak 13 (9.02, 9.02, 128.16 ppm):
    1 diagonal assignment:
    *     HN    VAL   41 - HN    VAL   41  (1.00)  kept
 
    Peak 14 (8.88, 8.88, 128.13 ppm):
    1 diagonal assignment:
    *     HN    LEU   40 - HN    LEU   40  (1.00)  kept
 
    Peak 15 (10.11, 10.11, 128.03 ppm):
    1 diagonal assignment:
    *     HN    GLU- 100 - HN    GLU- 100  (1.00)  kept
 
    Peak 16 (9.36, 9.36, 127.59 ppm):
    1 diagonal assignment:
    *     HN    PHE   72 - HN    PHE   72  (1.00)  kept
 
    Peak 17 (8.62, 8.62, 127.39 ppm):
    1 diagonal assignment:
    *     HN    GLN   90 - HN    GLN   90  (1.00)  kept
 
    Peak 18 (7.41, 7.41, 127.14 ppm):
    1 diagonal assignment:
    *     HN    ALA   57 - HN    ALA   57  (1.00)  kept
 
    Peak 19 (8.95, 8.95, 126.35 ppm):
    1 diagonal assignment:
    *     HN    VAL   42 - HN    VAL   42  (1.00)  kept
 
    Peak 20 (9.16, 9.16, 125.94 ppm):
    1 diagonal assignment:
    *     HN    VAL   43 - HN    VAL   43  (1.00)  kept
 
    Peak 21 (8.74, 8.74, 125.75 ppm):
    1 diagonal assignment:
    *     HN    PHE   45 - HN    PHE   45  (1.00)  kept
 
    Peak 22 (7.58, 7.58, 125.75 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 111 - HN    LYS+ 111  (1.00)  kept
 
    Peak 23 (9.69, 9.69, 125.68 ppm):
    1 diagonal assignment:
    *     HN    LEU   98 - HN    LEU   98  (1.00)  kept
 
    Peak 24 (9.57, 9.57, 125.50 ppm):
    1 diagonal assignment:
    *     HN    VAL  107 - HN    VAL  107  (1.00)  kept
 
    Peak 25 (9.87, 9.87, 125.46 ppm):
    1 diagonal assignment:
    *     HN    PHE   95 - HN    PHE   95  (1.00)  kept
 
    Peak 26 (8.37, 8.37, 125.10 ppm):
    1 diagonal assignment:
    *     HN    ALA   12 - HN    ALA   12  (0.72)  kept
 
    Peak 27 (7.98, 7.98, 124.64 ppm):
    1 diagonal assignment:
    *     HN    VAL   70 - HN    VAL   70  (1.00)  kept
 
    Peak 28 (8.31, 8.31, 124.24 ppm):
    1 diagonal assignment:
    *     HN    ASP-  86 - HN    ASP-  86  (1.00)  kept
 
    Peak 29 (8.49, 8.49, 124.18 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 112 - HN    LYS+ 112  (1.00)  kept
 
    Peak 30 (8.39, 8.39, 124.20 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 31 (8.40, 8.40, 123.79 ppm):
    1 diagonal assignment:
    *     HN    PHE   97 - HN    PHE   97  (1.00)  kept
 
    Peak 32 (6.59, 6.59, 123.60 ppm):
    1 diagonal assignment:
    *     HN    VAL   83 - HN    VAL   83  (0.75)  kept
 
    Peak 33 (9.32, 9.32, 123.66 ppm):
    1 diagonal assignment:
    *     HN    MET   96 - HN    MET   96  (0.89)  kept
 
    Peak 34 (8.78, 8.78, 123.55 ppm):
    1 diagonal assignment:
    *     HN    ASP-  44 - HN    ASP-  44  (1.00)  kept
 
    Peak 35 (9.21, 9.21, 123.27 ppm):
    1 diagonal assignment:
    *     HN    VAL   24 - HN    VAL   24  (1.00)  kept
 
    Peak 36 (7.73, 7.73, 123.24 ppm):
    2 diagonal assignments:
    *     HN    TRP   27 - HN    TRP   27  (1.00)  kept
          HN    ALA   91 - HN    ALA   91  (0.10)  kept
 
    Peak 37 (8.40, 8.40, 122.87 ppm):
    1 diagonal assignment:
    *     HN    LEU  115 - HN    LEU  115  (1.00)  kept
 
    Peak 38 (7.72, 7.72, 122.85 ppm):
    2 diagonal assignments:
    *     HN    ALA   91 - HN    ALA   91  (1.00)  kept
          HN    TRP   27 - HN    TRP   27  (0.10)  kept
 
    Peak 39 (8.32, 8.32, 122.30 ppm):
    1 diagonal assignment:
    *     HN    GLU-  14 - HN    GLU-  14  (0.70)  kept
 
    Peak 40 (8.48, 8.48, 122.27 ppm):
    1 diagonal assignment:
    *     HN    MET   11 - HN    MET   11  (1.00)  kept
 
    Peak 41 (8.75, 8.75, 122.21 ppm):
    1 diagonal assignment:
    *     HN    ALA  110 - HN    ALA  110  (1.00)  kept
 
    Peak 42 (8.62, 8.62, 122.05 ppm):
    1 diagonal assignment:
    *     HN    ILE  103 - HN    ILE  103  (1.00)  kept
 
    Peak 43 (8.16, 8.16, 121.97 ppm):
    1 diagonal assignment:
    *     HN    GLU- 114 - HN    GLU- 114  (1.00)  kept
 
    Peak 44 (6.60, 6.60, 121.96 ppm):
    1 diagonal assignment:
    *     HN    CYS   50 - HN    CYS   50  (1.00)  kept
 
    Peak 45 (7.29, 7.29, 121.74 ppm):
    1 diagonal assignment:
    *     HN    LYS+  81 - HN    LYS+  81  (1.00)  kept
 
    Peak 46 (8.02, 8.02, 121.50 ppm):
    1 diagonal assignment:
    *     HN    GLU-  79 - HN    GLU-  79  (0.61)  kept
 
    Peak 47 (7.82, 7.82, 121.71 ppm):
    1 diagonal assignment:
    *     HN    ALA   88 - HN    ALA   88  (1.00)  kept
 
    Peak 48 (8.08, 8.08, 121.56 ppm):
    2 diagonal assignments:
    *     HN    ALA   34 - HN    ALA   34  (1.00)  kept
          HN    LEU   80 - HN    LEU   80  (0.89)  kept
 
    Peak 49 (7.46, 7.46, 121.46 ppm):
    1 diagonal assignment:
    *     HN    LEU  123 - HN    LEU  123  (1.00)  kept
 
    Peak 50 (7.92, 7.92, 121.27 ppm):
    2 diagonal assignments:
    *     HN    ILE  119 - HN    ILE  119  (1.00)  kept
          HN    CYS   21 - HN    CYS   21  (0.23)  kept
 
    Peak 51 (8.48, 8.48, 121.30 ppm):
    1 diagonal assignment:
    *     HN    LYS+  74 - HN    LYS+  74  (0.71)  kept
 
    Peak 52 (8.29, 8.29, 121.00 ppm):
    1 diagonal assignment:
    *     HN    GLU-  29 - HN    GLU-  29  (1.00)  kept
 
    Peak 53 (7.93, 7.93, 121.01 ppm):
    2 diagonal assignments:
    *     HN    CYS   21 - HN    CYS   21  (1.00)  kept
          HN    ILE  119 - HN    ILE  119  (0.23)  kept
 
    Peak 54 (8.17, 8.17, 120.70 ppm):
    2 diagonal assignments:
          HN    PHE   60 - HN    PHE   60  (0.22)  kept
    *     HN    THR  118 - HN    THR  118  (0.16)  kept
 
    Peak 55 (7.86, 7.86, 120.86 ppm):
    1 diagonal assignment:
    *     HN    ASP-  62 - HN    ASP-  62  (0.86)  kept
 
    Peak 56 (7.59, 7.59, 120.97 ppm):
    1 diagonal assignment:
    *     HN    LEU   63 - HN    LEU   63  (1.00)  kept
 
    Peak 57 (7.01, 7.01, 120.97 ppm):
    1 diagonal assignment:
    *     HN    ALA   47 - HN    ALA   47  (1.00)  kept
 
    Peak 58 (7.76, 7.76, 120.90 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 102 - HN    LYS+ 102  (1.00)  kept
 
    Peak 59 (9.10, 9.10, 120.75 ppm):
    1 diagonal assignment:
    *     HN    HIS   22 - HN    HIS   22  (1.00)  kept
 
    Peak 60 (8.95, 8.95, 120.59 ppm):
    1 diagonal assignment:
    *     HN    LEU   73 - HN    LEU   73  (1.00)  kept
 
    Peak 61 (7.95, 7.95, 120.58 ppm):
    1 diagonal assignment:
    *     HN    LYS+  33 - HN    LYS+  33  (1.00)  kept
 
    Peak 62 (8.36, 8.36, 120.50 ppm):
    1 diagonal assignment:
    *     HN    ASN   35 - HN    ASN   35  (1.00)  kept
 
    Peak 63 (8.78, 8.78, 120.28 ppm):
    1 diagonal assignment:
    *     HN    GLU-  25 - HN    GLU-  25  (1.00)  kept
 
    Peak 64 (7.58, 7.58, 119.96 ppm):
    1 diagonal assignment:
    *     HN    ALA   84 - HN    ALA   84  (1.00)  kept
 
    Peak 65 (7.34, 7.34, 119.88 ppm):
    2 diagonal assignments:
    *     HN    LEU   67 - HN    LEU   67  (1.00)  kept
          HE3   TRP   27 - HE3   TRP   27  (0.03)  kept
 
    Peak 66 (9.44, 9.44, 119.76 ppm):
    1 diagonal assignment:
    *     HN    SER   48 - HN    SER   48  (1.00)  kept
 
    Peak 67 (8.06, 8.06, 119.69 ppm):
    1 diagonal assignment:
    *     HN    GLN   32 - HN    GLN   32  (1.00)  kept
 
    Peak 68 (7.25, 7.25, 119.50 ppm):
    1 diagonal assignment:
    *     HN    PHE   59 - HN    PHE   59  (0.77)  kept
 
    Peak 69 (7.76, 7.76, 119.36 ppm):
    1 diagonal assignment:
    *     HN    GLU-  36 - HN    GLU-  36  (1.00)  kept
 
    Peak 70 (8.52, 8.52, 119.25 ppm):
    1 diagonal assignment:
    *     HN    ASP-  78 - HN    ASP-  78  (1.00)  kept
 
    Peak 71 (9.27, 9.27, 119.07 ppm):
    1 diagonal assignment:
    *     HN    THR   77 - HN    THR   77  (1.00)  kept
 
    Peak 72 (7.84, 7.84, 118.81 ppm):
    2 diagonal assignments:
    *     HN    PHE   55 - HN    PHE   55  (0.79)  kept
          HN    LEU   31 - HN    LEU   31  (0.39)  kept
 
    Peak 73 (7.91, 7.91, 118.70 ppm):
    1 diagonal assignment:
    *     HN    ILE   89 - HN    ILE   89  (1.00)  kept
 
    Peak 74 (7.43, 7.43, 118.69 ppm):
    1 diagonal assignment:
    *     HN    ALA  120 - HN    ALA  120  (0.85)  kept
 
    Peak 75 (8.46, 8.46, 118.59 ppm):
    1 diagonal assignment:
    *     HN    MET   92 - HN    MET   92  (1.00)  kept
 
    Peak 76 (8.31, 8.31, 118.54 ppm):
    2 diagonal assignments:
    *     HN    GLN   30 - HN    GLN   30  (1.00)  kept
          HN    LYS+  99 - HN    LYS+  99  (0.02)  kept
 
    Peak 77 (6.46, 6.46, 118.53 ppm):
    1 diagonal assignment:
    *     HN    ALA   64 - HN    ALA   64  (1.00)  kept
 
    Peak 78 (8.97, 8.97, 118.18 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 106 - HN    LYS+ 106  (1.00)  kept
 
    Peak 79 (8.33, 8.33, 118.17 ppm):
    2 diagonal assignments:
    *     HN    LYS+  99 - HN    LYS+  99  (1.00)  kept
          HN    GLN   30 - HN    GLN   30  (0.02)  kept
 
    Peak 80 (7.69, 7.69, 117.92 ppm):
    1 diagonal assignment:
    *     HN    TRP   87 - HN    TRP   87  (1.00)  kept
 
    Peak 82 (7.88, 7.88, 117.58 ppm):
    1 diagonal assignment:
    *     HN    LYS+  38 - HN    LYS+  38  (1.00)  kept
 
    Peak 83 (7.27, 7.27, 117.25 ppm):
    1 diagonal assignment:
    *     HN    LYS+  66 - HN    LYS+  66  (1.00)  kept
 
    Peak 84 (8.46, 8.46, 117.19 ppm):
    1 diagonal assignment:
    *     HN    THR   46 - HN    THR   46  (1.00)  kept
 
    Peak 85 (7.72, 7.72, 117.18 ppm):
    1 diagonal assignment:
    *     HN    ALA   61 - HN    ALA   61  (1.00)  kept
 
    Peak 86 (8.17, 8.17, 116.99 ppm):
    1 diagonal assignment:
    *     HN    GLN  116 - HN    GLN  116  (1.00)  kept
 
    Peak 87 (6.63, 6.63, 116.57 ppm):
    1 diagonal assignment:
    *     HN    TRP   49 - HN    TRP   49  (1.00)  kept
 
    Peak 88 (7.51, 7.51, 116.39 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 121 - HN    LYS+ 121  (0.80)  kept
 
    Peak 89 (8.12, 8.12, 116.43 ppm):
    1 diagonal assignment:
    *     HN    THR   26 - HN    THR   26  (1.00)  kept
 
    Peak 90 (7.80, 7.80, 116.22 ppm):
    1 diagonal assignment:
    *     HN    ASP- 105 - HN    ASP- 105  (1.00)  kept
 
    Peak 91 (7.69, 7.69, 115.83 ppm):
    1 diagonal assignment:
    *     HN    GLN   17 - HN    GLN   17  (1.00)  kept
 
    Peak 92 (8.80, 8.80, 115.33 ppm):
    1 diagonal assignment:
    *     HN    ASN   28 - HN    ASN   28  (1.00)  kept
 
    Peak 93 (8.03, 8.03, 115.19 ppm):
    1 diagonal assignment:
    *     HN    THR   94 - HN    THR   94  (1.00)  kept
 
    Peak 94 (8.66, 8.66, 115.11 ppm):
    1 diagonal assignment:
    *     HN    SER  117 - HN    SER  117  (1.00)  kept
 
    Peak 95 (7.59, 7.59, 115.08 ppm):
    2 diagonal assignments:
    *     HN    ILE   56 - HN    ILE   56  (1.00)  kept
          HZ2   TRP   87 - HZ2   TRP   87  (0.01)  kept
 
    Peak 96 (8.60, 8.60, 114.88 ppm):
    1 diagonal assignment:
    *     HN    GLY  109 - HN    GLY  109  (0.75)  kept
 
    Peak 97 (6.90, 6.90, 114.80 ppm):
    1 diagonal assignment:
    *     HN    LYS+  65 - HN    LYS+  65  (0.69)  kept
 
    Peak 98 (8.82, 8.82, 114.58 ppm):
    1 diagonal assignment:
    *     HN    ASN   69 - HN    ASN   69  (1.00)  kept
 
    Peak 99 (8.24, 8.24, 114.58 ppm):
    1 diagonal assignment:
    *     HN    SER   13 - HN    SER   13  (1.00)  kept
 
    Peak 100 (7.75, 7.75, 114.55 ppm):
    1 diagonal assignment:
    *     HN    THR   39 - HN    THR   39  (1.00)  kept
 
    Peak 101 (8.64, 8.64, 114.33 ppm):
    1 diagonal assignment:
    *     HN    SER   82 - HN    SER   82  (1.00)  kept
 
    Peak 102 (7.24, 7.24, 114.00 ppm):
    1 diagonal assignment:
    *     HN    HIS  122 - HN    HIS  122  (0.31)  kept
 
    Peak 103 (7.68, 7.68, 113.30 ppm):
    1 diagonal assignment:
    *     HD21  ASN   69 - HD21  ASN   69  (0.56)  kept
 
    Peak 104 (6.66, 6.66, 113.30 ppm):
    1 diagonal assignment:
    *     HD22  ASN   69 - HD22  ASN   69  (0.56)  kept
 
    Peak 105 (7.45, 7.45, 112.50 ppm):
    1 diagonal assignment:
    *     HE21  GLN   17 - HE21  GLN   17  (0.71)  kept
 
    Peak 106 (6.81, 6.81, 112.50 ppm):
    2 diagonal assignments:
    *     HE22  GLN   17 - HE22  GLN   17  (0.71)  kept
          HE22  GLN   32 - HE22  GLN   32  (0.31)  kept
 
    Peak 107 (7.57, 7.57, 112.27 ppm):
    1 diagonal assignment:
    *     HE21  GLN   32 - HE21  GLN   32  (1.00)  kept
 
    Peak 108 (6.80, 6.80, 112.28 ppm):
    3 diagonal assignments:
    *     HE22  GLN   32 - HE22  GLN   32  (1.00)  kept
          HE22  GLN   90 - HE22  GLN   90  (0.37)  kept
          HE22  GLN   17 - HE22  GLN   17  (0.09)  kept
 
    Peak 109 (7.91, 7.91, 112.05 ppm):
    1 diagonal assignment:
    *     HN    SER   37 - HN    SER   37  (1.00)  kept
 
    Peak 110 (7.39, 7.39, 112.01 ppm):
    1 diagonal assignment:
    *     HE21  GLN   90 - HE21  GLN   90  (1.00)  kept
 
    Peak 111 (6.80, 6.80, 112.00 ppm):
    2 diagonal assignments:
    *     HE22  GLN   90 - HE22  GLN   90  (1.00)  kept
          HE22  GLN   32 - HE22  GLN   32  (0.38)  kept
 
    Peak 112 (7.61, 7.61, 111.81 ppm):
    1 diagonal assignment:
    *     HD21  ASN   28 - HD21  ASN   28  (1.00)  kept
 
    Peak 113 (6.97, 6.97, 111.81 ppm):
    1 diagonal assignment:
    *     HD22  ASN   28 - HD22  ASN   28  (1.00)  kept
 
    Peak 114 (7.18, 7.18, 111.61 ppm):
    1 diagonal assignment:
    *     HE21  GLN   30 - HE21  GLN   30  (1.00)  kept
 
    Peak 115 (8.05, 8.05, 111.48 ppm):
    1 diagonal assignment:
    *     HN    SER   85 - HN    SER   85  (1.00)  kept
 
    Peak 116 (7.41, 7.41, 111.00 ppm):
    1 diagonal assignment:
    *     HE21  GLN  116 - HE21  GLN  116  (1.00)  kept
 
    Peak 117 (6.83, 6.83, 111.00 ppm):
    1 diagonal assignment:
    *     HE22  GLN  116 - HE22  GLN  116  (1.00)  kept
 
    Peak 118 (8.66, 8.66, 110.73 ppm):
    1 diagonal assignment:
    *     HN    GLY   16 - HN    GLY   16  (0.96)  kept
 
    Peak 119 (8.09, 8.09, 110.83 ppm):
    1 diagonal assignment:
    *     HN    CYS   53 - HN    CYS   53  (1.00)  kept
 
    Peak 120 (7.37, 7.37, 110.13 ppm):
    1 diagonal assignment:
    *     HD21  ASN   35 - HD21  ASN   35  (1.00)  kept
 
    Peak 121 (6.53, 6.53, 110.12 ppm):
    1 diagonal assignment:
    *     HD22  ASN   35 - HD22  ASN   35  (1.00)  kept
 
    Peak 122 (7.33, 7.33, 104.59 ppm):
    1 diagonal assignment:
    *     HN    THR   23 - HN    THR   23  (1.00)  kept
 
    Peak 123 (8.85, 8.85, 104.25 ppm):
    1 diagonal assignment:
    *     HN    GLY  101 - HN    GLY  101  (1.00)  kept
 
    Peak 124 (6.64, 6.64, 111.61 ppm):
    1 diagonal assignment:
    *     HE22  GLN   30 - HE22  GLN   30  (1.00)  kept
 
    Peak 125 (8.18, 8.18, 120.93 ppm):
    3 diagonal assignments:
    *     HN    PHE   60 - HN    PHE   60  (0.98)  kept
          HN    THR  118 - HN    THR  118  (0.77)  kept
          HN    GLU-  15 - HN    GLU-  15  (0.16)  kept
 
    Peak 126 (7.87, 7.87, 121.30 ppm):
    2 diagonal assignments:
    *     HN    ARG+  54 - HN    ARG+  54  (0.89)  kept
          HN    ASP-  62 - HN    ASP-  62  (0.11)  kept
 
    Peak 127 (8.09, 8.09, 121.65 ppm):
    2 diagonal assignments:
    *     HN    LEU   80 - HN    LEU   80  (0.89)  kept
          HN    ALA   34 - HN    ALA   34  (0.68)  kept
 
    Peak 129 (7.85, 7.85, 118.81 ppm):
    2 diagonal assignments:
    *     HN    LEU   31 - HN    LEU   31  (0.93)  kept
          HN    PHE   55 - HN    PHE   55  (0.26)  kept
 
    Peak 130 (8.27, 8.27, 122.56 ppm):
    1 diagonal assignment:
    *     HN    VAL   18 - HN    VAL   18  (0.93)  kept
 
    Peak 131 (8.20, 8.20, 120.98 ppm):
    3 diagonal assignments:
    *     HN    GLU-  15 - HN    GLU-  15  (1.00)  kept
          HN    PHE   60 - HN    PHE   60  (0.23)  kept
          HN    THR  118 - HN    THR  118  (0.07)  kept
 
    Peak 134 (9.57, 9.57, 121.38 ppm):
    1 diagonal assignment:
    *     HN    GLY   51 - HN    GLY   51  (1.00)  kept
 
    Peak 268 (8.43, 8.43, 117.70 ppm):
    1 diagonal assignment:
    *     HN    ASP- 113 - HN    ASP- 113  (0.85)  kept
 
    Peak 269 (4.29, 8.48, 122.27 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.39, residual support = 46.1:
      O   HA    MET   11 - HN    MET   11   2.82 +/- 0.09  96.972% * 96.0428% (0.95   3.39  46.09) =  99.986%  kept
          HA    ALA   12 - HN    MET   11   5.23 +/- 0.49   2.995% *  0.4355% (0.73   0.02  12.70) =   0.014%
          HA    GLU-  14 - HN    MET   11  11.25 +/- 1.18   0.032% *  0.3638% (0.61   0.02   0.02) =   0.000%
          HA    THR   39 - HN    MET   11  21.81 +/- 2.72   0.001% *  0.1851% (0.31   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    MET   11  29.10 +/- 3.30   0.000% *  0.5537% (0.92   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    MET   11  31.74 +/- 2.54   0.000% *  0.4584% (0.76   0.02   0.02) =   0.000%
          HB    THR   77 - HN    MET   11  35.76 +/- 4.41   0.000% *  0.5203% (0.87   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    MET   11  32.85 +/- 4.77   0.000% *  0.2251% (0.38   0.02   0.02) =   0.000%
          HA    SER   85 - HN    MET   11  38.42 +/- 3.86   0.000% *  0.5203% (0.87   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    MET   11  38.08 +/- 3.61   0.000% *  0.4120% (0.69   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    MET   11  32.61 +/- 2.43   0.000% *  0.1496% (0.25   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    MET   11  38.28 +/- 4.87   0.000% *  0.1335% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 0.512, support = 2.94, residual support = 12.5:
      O   HA    MET   11 - HN    ALA   12   2.55 +/- 0.15  62.910% * 37.7634% (0.32   3.40  12.70) =  51.639%  kept
      O   HA    ALA   12 - HN    ALA   12   2.80 +/- 0.15  36.956% * 60.2029% (0.71   2.45  12.20) =  48.360%  kept
          HA    GLU-  14 - HN    ALA   12   8.04 +/- 1.05   0.134% *  0.4946% (0.72   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    ALA   12  26.38 +/- 2.91   0.000% *  0.2038% (0.30   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   12  30.31 +/- 2.32   0.000% *  0.3788% (0.55   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   12  35.36 +/- 3.44   0.000% *  0.4946% (0.72   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   12  29.25 +/- 2.48   0.000% *  0.1236% (0.18   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   12  33.05 +/- 3.67   0.000% *  0.1691% (0.25   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   12  35.65 +/- 3.52   0.000% *  0.1691% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 271 (4.33, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 1.7, residual support = 5.11:
      O   HA    ALA   12 - HN    SER   13   2.48 +/- 0.18  97.988% * 82.8236% (0.14   1.70   5.12) =  99.965%  kept
          HA    GLU-  14 - HN    SER   13   4.85 +/- 0.45   2.012% *  1.4255% (0.20   0.02   6.63) =   0.035%
          HA    PHE   59 - HN    SER   13  25.05 +/- 1.61   0.000% *  3.7896% (0.53   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    SER   13  30.58 +/- 1.86   0.000% *  7.0603% (0.98   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    SER   13  28.22 +/- 1.52   0.000% *  3.7896% (0.53   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    SER   13  33.09 +/- 2.05   0.000% *  1.1114% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 272 (3.87, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.06, residual support = 7.29:
      O   QB    SER   13 - HN    SER   13   3.02 +/- 0.29  99.983% * 95.3827% (0.87   2.06   7.29) = 100.000%  kept
          HB3   SER   37 - HN    SER   13  15.64 +/- 2.10   0.009% *  1.0476% (0.98   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   13  15.90 +/- 1.69   0.007% *  0.9585% (0.90   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   13  28.68 +/- 1.37   0.000% *  0.9585% (0.90   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   13  31.61 +/- 1.82   0.000% *  1.0476% (0.98   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   13  29.81 +/- 2.39   0.000% *  0.6051% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 273 (4.43, 8.27, 122.56 ppm):
    9 chemical-shift based assignments, quality = 0.806, support = 5.47, residual support = 51.2:
      O   HA    GLN   17 - HN    VAL   18   2.55 +/- 0.04  99.735% * 98.3719% (0.81   5.47  51.20) = 100.000%  kept
          HA    GLU-  15 - HN    VAL   18   7.14 +/- 0.35   0.218% *  0.1073% (0.24   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    VAL   18  11.86 +/- 0.21   0.010% *  0.3973% (0.89   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   18  12.73 +/- 1.83   0.021% *  0.1073% (0.24   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   18  14.17 +/- 0.47   0.004% *  0.3289% (0.74   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   18  11.81 +/- 0.31   0.010% *  0.0958% (0.21   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   18  18.26 +/- 0.78   0.001% *  0.3595% (0.81   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   18  17.53 +/- 0.33   0.001% *  0.1468% (0.33   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   18  20.40 +/- 1.05   0.000% *  0.0852% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 274 (4.02, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.362, support = 5.76, residual support = 78.0:
      O   HA    VAL   18 - HN    VAL   18   2.88 +/- 0.01  99.339% * 96.1977% (0.36   5.76  77.97) =  99.997%  kept
          HA1   GLY   16 - HN    VAL   18   6.73 +/- 0.09   0.611% *  0.3992% (0.43   0.02   0.02) =   0.003%
          HA    VAL   70 - HN    VAL   18  10.60 +/- 0.25   0.040% *  0.7724% (0.84   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    VAL   18  15.97 +/- 0.77   0.004% *  0.7131% (0.77   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   18  17.06 +/- 0.49   0.002% *  0.5042% (0.55   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   18  19.40 +/- 0.47   0.001% *  0.7724% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   18  17.84 +/- 0.37   0.002% *  0.3661% (0.40   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   18  23.19 +/- 0.79   0.000% *  0.2748% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 6.63:
      O   HA    SER   13 - HN    GLU-  14   2.40 +/- 0.17  98.778% * 94.7790% (0.67   2.10   6.63) =  99.988%  kept
          HA    GLU-  15 - HN    GLU-  14   5.24 +/- 0.62   1.185% *  0.9039% (0.67   0.02   1.71) =   0.011%
          HA    GLN   17 - HN    GLU-  14   9.90 +/- 1.12   0.033% *  0.6801% (0.51   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLU-  14  14.63 +/- 1.35   0.002% *  0.6801% (0.51   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLU-  14  17.46 +/- 1.30   0.001% *  0.7824% (0.58   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  14  22.07 +/- 1.21   0.000% *  0.8860% (0.66   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLU-  14  18.39 +/- 1.25   0.001% *  0.1854% (0.14   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  14  24.39 +/- 1.50   0.000% *  0.7500% (0.56   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  14  23.99 +/- 1.41   0.000% *  0.2085% (0.16   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  14  25.70 +/- 1.19   0.000% *  0.1445% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 4.34, residual support = 18.5:
          HN    GLN   17 - HN    GLY   16   2.35 +/- 0.09  99.991% * 88.7576% (0.13   4.34  18.50) = 100.000%  kept
          HN    ALA   61 - HN    GLY   16  13.86 +/- 0.39   0.002% *  2.9950% (0.97   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLY   16  12.32 +/- 0.68   0.005% *  0.4662% (0.15   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLY   16  17.02 +/- 0.52   0.001% *  2.0756% (0.67   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLY   16  21.53 +/- 0.64   0.000% *  2.7894% (0.90   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLY   16  25.97 +/- 0.70   0.000% *  2.9162% (0.94   0.02   0.02) =   0.000%
    Distance limit 4.59 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 = 4.34, residual support = 18.5:
        T HN    GLY   16 - HN    GLN   17   2.35 +/- 0.09 100.000% * 99.3290% (1.00   4.34  18.50) = 100.000%  kept
          HN    SER  117 - HN    GLN   17  23.39 +/- 0.33   0.000% *  0.4113% (0.90   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN   17  24.28 +/- 0.67   0.000% *  0.2597% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 0.504, support = 2.61, residual support = 8.3:
      O   HA    GLU-  15 - HN    GLY   16   2.66 +/- 0.12  97.145% * 29.8936% (0.47   2.59   7.65) =  93.950%  kept
          HA    GLN   17 - HN    GLY   16   4.84 +/- 0.08   2.742% * 68.1907% (0.97   2.90  18.50) =   6.049%  kept
          HA    SER   13 - HN    GLY   16   8.78 +/- 0.69   0.088% *  0.2307% (0.47   0.02   0.02) =   0.001%
          HA    SER   37 - HN    GLY   16  13.60 +/- 0.88   0.006% *  0.4698% (0.97   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLY   16  12.89 +/- 0.65   0.008% *  0.3256% (0.67   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLY   16  12.70 +/- 0.74   0.009% *  0.1463% (0.30   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLY   16  16.49 +/- 0.43   0.002% *  0.2125% (0.44   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLY   16  19.82 +/- 0.49   0.001% *  0.4575% (0.94   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLY   16  22.82 +/- 0.41   0.000% *  0.0731% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.797, support = 0.0198, residual support = 0.0198:
          HA    VAL   18 - HN    GLY   16   6.48 +/- 0.13  64.838% * 12.6997% (0.90   0.02   0.02) =  78.770%  kept
          HA    VAL   70 - HN    GLY   16   7.28 +/- 0.67  33.993% *  6.1679% (0.44   0.02   0.02) =  20.057%  kept
          HA    LYS+  33 - HN    GLY   16  13.97 +/- 0.76   0.669% * 10.5138% (0.75   0.02   0.02) =   0.673%
          HA    GLU-  29 - HN    GLY   16  17.09 +/- 0.57   0.198% * 12.3380% (0.87   0.02   0.02) =   0.234%
          HA    GLN   32 - HN    GLY   16  17.26 +/- 0.64   0.184% *  9.4500% (0.67   0.02   0.02) =   0.167%
          HA    SER   48 - HN    GLY   16  24.26 +/- 0.52   0.024% * 12.6997% (0.90   0.02   0.02) =   0.029%
          HA    GLN  116 - HN    GLY   16  21.84 +/- 0.57   0.044% *  6.1679% (0.44   0.02   0.02) =   0.026%
          HB2   SER   82 - HN    GLY   16  26.31 +/- 0.97   0.015% * 13.2768% (0.94   0.02   0.02) =   0.019%
          HD2   PRO   52 - HN    GLY   16  24.52 +/- 0.43   0.022% *  6.6964% (0.47   0.02   0.02) =   0.014%
          HA    ALA   88 - HN    GLY   16  27.40 +/- 0.56   0.011% *  9.9899% (0.71   0.02   0.02) =   0.011%
    Distance limit 3.67 A violated in 20 structures by 2.36 A, eliminated.
    Peak unassigned.
 
    Peak 280 (4.42, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.936, support = 4.95, residual support = 74.4:
      O   HA    GLN   17 - HN    GLN   17   2.88 +/- 0.01  62.212% * 81.9803% (0.99   5.29  83.55) =  88.991%  kept
          HA    GLU-  15 - HN    GLN   17   3.16 +/- 0.26  37.649% * 16.7569% (0.49   2.20   0.80) =  11.008%  kept
          HA    SER   13 - HN    GLN   17   9.37 +/- 1.20   0.117% *  0.1521% (0.49   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLN   17  12.65 +/- 0.43   0.009% *  0.2146% (0.69   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLN   17  15.19 +/- 0.82   0.003% *  0.3097% (0.99   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLN   17  13.61 +/- 0.54   0.006% *  0.0964% (0.31   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLN   17  15.04 +/- 0.34   0.003% *  0.1401% (0.45   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLN   17  18.06 +/- 0.44   0.001% *  0.3016% (0.97   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   17  21.24 +/- 0.33   0.000% *  0.0482% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 83.5:
      O T HE21  GLN   17 - HE22  GLN   17   1.73 +/- 0.00 100.000% * 93.1582% (0.70   1.00  83.55) = 100.000%  kept
          HN    ALA  124 - HE22  GLN   17  23.41 +/- 1.41   0.000% *  1.7782% (0.67   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   17  23.00 +/- 1.06   0.000% *  1.6306% (0.61   0.02   0.02) =   0.000%
        T HE21  GLN   17 - HE22  GLN   32  23.72 +/- 2.24   0.000% *  1.0716% (0.40   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   17  24.91 +/- 0.83   0.000% *  0.2544% (0.10   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   32  31.37 +/- 0.95   0.000% *  0.9379% (0.35   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   32  33.63 +/- 0.95   0.000% *  1.0228% (0.38   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   32  32.90 +/- 1.02   0.000% *  0.1463% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.64 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 = 83.5:
      O   HE22  GLN   17 - HE21  GLN   17   1.73 +/- 0.00 100.000% * 95.1713% (0.63   1.00  83.55) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN   17  19.54 +/- 0.94   0.000% *  1.4579% (0.48   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   17  24.53 +/- 1.53   0.000% *  1.5412% (0.51   0.02   0.02) =   0.000%
          HE22  GLN   32 - HE21  GLN   17  23.72 +/- 2.24   0.000% *  1.0331% (0.34   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   17  29.44 +/- 2.10   0.000% *  0.7966% (0.26   0.02   0.02) =   0.000%
    Distance limit 2.55 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 = 0.323, support = 3.58, residual support = 26.3:
      O   HA1   GLY   16 - HN    GLN   17   3.22 +/- 0.04  90.859% * 23.0309% (0.22   3.49  18.50) =  76.226%  kept
          HA    VAL   18 - HN    GLN   17   4.76 +/- 0.07   8.804% * 74.1048% (0.65   3.87  51.20) =  23.767%  kept
          HA    VAL   70 - HN    GLN   17   8.45 +/- 0.45   0.297% *  0.5914% (1.00   0.02   0.02) =   0.006%
          HB2   SER   37 - HN    GLN   17  13.00 +/- 0.76   0.023% *  0.3118% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN   17  14.82 +/- 0.65   0.010% *  0.4950% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN   17  17.03 +/- 0.48   0.004% *  0.4071% (0.69   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   17  21.35 +/- 0.41   0.001% *  0.5914% (1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   17  25.19 +/- 0.91   0.000% *  0.3355% (0.57   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   17  22.23 +/- 0.57   0.001% *  0.1320% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 288 (5.57, 8.93, 131.32 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 2.66, residual support = 5.32:
          HA    LEU   73 - HN    ILE   19   2.81 +/- 0.33 100.000% *100.0000% (0.87   2.66   5.32) = 100.000%  kept
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 289 (4.01, 8.93, 131.32 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.85, residual support = 22.0:
      O   HA    VAL   18 - HN    ILE   19   2.24 +/- 0.03  99.942% * 96.8771% (0.65   4.85  22.00) = 100.000%  kept
          HA    VAL   70 - HN    ILE   19   9.24 +/- 0.25   0.021% *  0.6164% (1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    ILE   19   8.74 +/- 0.29   0.029% *  0.1375% (0.22   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   19  13.35 +/- 0.41   0.002% *  0.5160% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   19  13.47 +/- 0.38   0.002% *  0.4243% (0.69   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    ILE   19  13.19 +/- 0.76   0.003% *  0.3250% (0.53   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   19  20.50 +/- 0.33   0.000% *  0.6164% (1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   19  19.33 +/- 0.81   0.000% *  0.3497% (0.57   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   19  17.34 +/- 0.33   0.000% *  0.1375% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 6.54, residual support = 170.0:
      O   HA    ILE   19 - HN    ILE   19   2.89 +/- 0.02  99.960% * 99.1103% (0.87   6.54 169.98) = 100.000%  kept
          HA    THR   26 - HN    ILE   19  11.26 +/- 0.60   0.030% *  0.1837% (0.53   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ILE   19  15.76 +/- 0.29   0.004% *  0.3484% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ILE   19  15.12 +/- 0.35   0.005% *  0.2259% (0.65   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ILE   19  20.14 +/- 0.55   0.001% *  0.0539% (0.15   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ILE   19  22.46 +/- 0.20   0.000% *  0.0777% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 291 (4.17, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.05, residual support = 25.5:
      O   HA    ILE   19 - HN    ALA   20   2.30 +/- 0.02  99.972% * 98.9673% (0.97   5.05  25.51) = 100.000%  kept
          HA    THR   26 - HN    ALA   20   9.31 +/- 0.55   0.024% *  0.1525% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ALA   20  13.33 +/- 0.34   0.003% *  0.3254% (0.80   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ALA   20  17.31 +/- 0.38   0.001% *  0.3984% (0.98   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   20  19.21 +/- 0.63   0.000% *  0.1013% (0.25   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   20  26.06 +/- 0.24   0.000% *  0.0550% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 292 (4.63, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.14, residual support = 15.2:
      O   HA    ALA   20 - HN    ALA   20   2.93 +/- 0.01  99.894% * 99.6545% (0.97   3.14  15.24) = 100.000%  kept
          HA    LEU   71 - HN    ALA   20   9.19 +/- 0.28   0.106% *  0.3455% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 2.79, residual support = 7.9:
        T HN    LYS+  74 - HN    CYS   21   2.54 +/- 0.23  99.894% * 96.6727% (0.76   2.79   7.90) =  99.999%  kept
          HN    THR   46 - HN    CYS   21   8.88 +/- 0.26   0.064% *  0.9063% (1.00   0.02   0.02) =   0.001%
          HN    LYS+ 112 - HN    ILE  119   9.64 +/- 0.13   0.037% *  0.0714% (0.08   0.02   0.02) =   0.000%
          HN    MET   92 - HN    CYS   21  16.90 +/- 0.37   0.001% *  0.8573% (0.95   0.02   0.02) =   0.000%
          HN    MET   11 - HN    CYS   21  23.62 +/- 3.91   0.001% *  0.3726% (0.41   0.02   0.02) =   0.000%
          HN    THR   46 - HN    ILE  119  17.96 +/- 0.27   0.001% *  0.2864% (0.32   0.02   0.02) =   0.000%
          HN    MET   92 - HN    ILE  119  18.87 +/- 0.41   0.001% *  0.2709% (0.30   0.02   0.02) =   0.000%
        T HN    LYS+  74 - HN    ILE  119  19.53 +/- 0.37   0.001% *  0.2188% (0.24   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HN    CYS   21  22.93 +/- 0.33   0.000% *  0.2260% (0.25   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE  119  33.62 +/- 2.60   0.000% *  0.1177% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 294 (4.62, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.86, residual support = 14.3:
      O   HA    ALA   20 - HN    CYS   21   2.20 +/- 0.01  99.992% * 99.2362% (0.95   2.86  14.31) = 100.000%  kept
          HA    LEU   71 - HN    CYS   21  10.77 +/- 0.18   0.007% *  0.1634% (0.22   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   21  20.48 +/- 0.45   0.000% *  0.2503% (0.34   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  119  21.67 +/- 0.41   0.000% *  0.2194% (0.30   0.02   0.02) =   0.000%
          HA    LEU   71 - HN    ILE  119  17.69 +/- 0.27   0.000% *  0.0516% (0.07   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    ILE  119  19.27 +/- 0.18   0.000% *  0.0791% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 295 (4.22, 7.86, 120.86 ppm):
    4 chemical-shift based assignments, quality = 0.832, support = 3.84, residual support = 41.0:
      O   HA    ASP-  62 - HN    ASP-  62   2.82 +/- 0.00  99.994% * 98.9886% (0.83   3.84  41.03) = 100.000%  kept
          HA    SER  117 - HN    ASP-  62  14.37 +/- 0.44   0.006% *  0.3881% (0.63   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ASP-  62  21.77 +/- 0.72   0.000% *  0.5297% (0.85   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ASP-  62  26.75 +/- 0.40   0.000% *  0.0936% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 296 (4.37, 7.86, 120.86 ppm):
    7 chemical-shift based assignments, quality = 0.523, support = 1.5, residual support = 6.35:
          HA    PHE   59 - HN    ASP-  62   3.54 +/- 0.15  98.622% * 92.4913% (0.52   1.50   6.35) =  99.981%  kept
          HA    ILE   56 - HN    ASP-  62   7.30 +/- 0.13   1.289% *  1.2332% (0.52   0.02   0.02) =   0.017%
          HA    LEU  123 - HN    ASP-  62  12.10 +/- 0.51   0.065% *  0.9897% (0.42   0.02   0.02) =   0.001%
          HA    ASP- 113 - HN    ASP-  62  15.09 +/- 0.59   0.017% *  2.0287% (0.86   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASP-  62  19.22 +/- 0.39   0.004% *  1.6281% (0.69   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP-  62  23.07 +/- 0.48   0.001% *  1.3153% (0.56   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP-  62  21.74 +/- 0.33   0.002% *  0.3137% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 297 (7.32, 9.10, 120.75 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 3.39, residual support = 23.3:
          HN    THR   23 - HN    HIS   22   2.33 +/- 0.21  99.853% * 97.3186% (0.69   3.39  23.27) =  99.999%  kept
          HE3   TRP   27 - HN    HIS   22   7.34 +/- 0.52   0.128% *  0.8346% (1.00   0.02   0.02) =   0.001%
          HN    LYS+  81 - HN    HIS   22  10.15 +/- 0.52   0.017% *  0.1465% (0.18   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    HIS   22  15.98 +/- 0.33   0.001% *  0.6074% (0.73   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    HIS   22  22.70 +/- 0.42   0.000% *  0.8346% (1.00   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    HIS   22  20.03 +/- 0.18   0.000% *  0.2582% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 298 (4.62, 9.10, 120.75 ppm):
    3 chemical-shift based assignments, quality = 0.945, support = 0.02, residual support = 5.25:
          HA    ALA   20 - HN    HIS   22   5.62 +/- 0.22  99.552% * 62.6587% (0.95   0.02   5.26) =  99.891%  kept
          HA    LEU   71 - HN    HIS   22  14.04 +/- 0.18   0.422% * 14.7469% (0.22   0.02   0.02) =   0.100%
          HA    LYS+ 102 - HN    HIS   22  22.34 +/- 0.56   0.027% * 22.5944% (0.34   0.02   0.02) =   0.010%
    Distance limit 4.08 A violated in 20 structures by 1.54 A, eliminated.
    Peak unassigned.
 
    Peak 299 (8.11, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 3.84, residual support = 13.9:
        T HN    THR   26 - HN    THR   23   4.16 +/- 0.11  86.101% * 99.1300% (0.69   3.84  13.95) =  99.958%  kept
          HN    LEU   80 - HN    THR   23   5.67 +/- 0.27  13.821% *  0.2566% (0.34   0.02  10.39) =   0.042%
          HN    ALA   34 - HN    THR   23  13.67 +/- 0.22   0.069% *  0.1876% (0.25   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    THR   23  19.17 +/- 0.47   0.009% *  0.4259% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 300 (9.10, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.39, residual support = 23.3:
        T HN    HIS   22 - HN    THR   23   2.33 +/- 0.21  99.759% * 99.4396% (0.99   3.39  23.27) =  99.999%  kept
          HN    ASP-  76 - HN    THR   23   6.61 +/- 0.36   0.241% *  0.5604% (0.95   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 301 (8.78, 9.21, 123.27 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 7.78, residual support = 35.9:
        T HN    GLU-  25 - HN    VAL   24   2.57 +/- 0.04  99.180% * 99.6337% (0.98   7.78  35.90) =  99.999%  kept
          HN    ASN   28 - HN    VAL   24   5.73 +/- 0.16   0.816% *  0.1074% (0.41   0.02  13.43) =   0.001%
          HN    ASP-  44 - HN    VAL   24  14.25 +/- 0.45   0.003% *  0.2589% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 7.78, residual support = 35.9:
        T HN    VAL   24 - HN    GLU-  25   2.57 +/- 0.04 100.000% *100.0000% (1.00   7.78  35.90) = 100.000%  kept
    Distance limit 3.53 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 = 5.3, residual support = 29.5:
        T HN    THR   26 - HN    GLU-  25   2.92 +/- 0.03  99.998% * 99.9397% (0.97   5.30  29.47) = 100.000%  kept
          HN    LEU   71 - HN    GLU-  25  18.07 +/- 0.25   0.002% *  0.0603% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.98, support = 5.3, residual support = 29.5:
        T HN    GLU-  25 - HN    THR   26   2.92 +/- 0.03  92.158% * 99.4631% (0.98   5.30  29.47) =  99.987%  kept
          HN    ASN   28 - HN    THR   26   4.40 +/- 0.05   7.835% *  0.1574% (0.41   0.02   0.02) =   0.013%
          HN    ASP-  44 - HN    THR   26  14.15 +/- 0.50   0.007% *  0.3795% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 4.46, residual support = 20.1:
          HN    TRP   27 - HN    THR   26   2.56 +/- 0.07  99.983% * 98.4552% (0.99   4.46  20.13) = 100.000%  kept
          HD1   TRP   87 - HN    THR   26  11.89 +/- 0.28   0.010% *  0.2705% (0.61   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR   26  17.22 +/- 0.39   0.001% *  0.2885% (0.65   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR   26  15.87 +/- 0.26   0.002% *  0.1674% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    THR   26  14.88 +/- 0.29   0.003% *  0.1112% (0.25   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR   26  19.82 +/- 0.61   0.000% *  0.3408% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    THR   26  21.95 +/- 0.48   0.000% *  0.3063% (0.69   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    THR   26  19.82 +/- 1.12   0.000% *  0.0603% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 0.965, support = 3.84, residual support = 13.9:
          HN    THR   23 - HN    THR   26   4.16 +/- 0.11  94.838% * 97.8272% (0.97   3.84  13.95) =  99.986%  kept
          HE3   TRP   27 - HN    THR   26   7.18 +/- 0.25   3.670% *  0.2572% (0.49   0.02  20.13) =   0.010%
          HD2   HIS   22 - HN    THR   26   8.41 +/- 0.33   1.414% *  0.2369% (0.45   0.02   0.02) =   0.004%
          QE    PHE   95 - HN    THR   26  18.79 +/- 0.41   0.011% *  0.4998% (0.95   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    THR   26  14.48 +/- 0.78   0.056% *  0.0715% (0.14   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    THR   26  22.26 +/- 0.38   0.004% *  0.4878% (0.92   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    THR   26  21.97 +/- 0.51   0.004% *  0.3205% (0.61   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    THR   26  26.33 +/- 0.44   0.001% *  0.2991% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 307 (7.32, 7.73, 123.24 ppm):
    12 chemical-shift based assignments, quality = 0.836, support = 4.04, residual support = 47.9:
          HN    THR   23 - HN    TRP   27   4.07 +/- 0.22  70.683% * 30.2179% (0.69   3.16   1.64) =  51.899%  kept
          HE3   TRP   27 - HN    TRP   27   4.77 +/- 0.23  28.675% * 69.0345% (1.00   4.98  97.78) =  48.100%  kept
          HN    LYS+  81 - HN    TRP   27  10.78 +/- 0.41   0.210% *  0.0487% (0.18   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    ALA   91  11.07 +/- 0.50   0.184% *  0.0249% (0.09   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    TRP   27  16.92 +/- 0.40   0.014% *  0.2019% (0.73   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   91  14.74 +/- 0.55   0.033% *  0.0343% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   91  11.40 +/- 0.71   0.156% *  0.0060% (0.02   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    ALA   91  15.67 +/- 0.60   0.022% *  0.0343% (0.12   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   27  24.78 +/- 0.43   0.001% *  0.2774% (1.00   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   27  20.48 +/- 0.32   0.004% *  0.0858% (0.31   0.02   0.02) =   0.000%
          HN    THR   23 - HN    ALA   91  16.68 +/- 0.61   0.016% *  0.0236% (0.08   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    ALA   91  23.21 +/- 0.58   0.002% *  0.0106% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 308 (8.12, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.46, residual support = 20.1:
        T HN    THR   26 - HN    TRP   27   2.56 +/- 0.07  99.996% * 99.8641% (0.97   4.46  20.13) = 100.000%  kept
          HN    LEU   71 - HN    TRP   27  14.11 +/- 0.32   0.004% *  0.0717% (0.15   0.02   0.02) =   0.000%
        T HN    THR   26 - HN    ALA   91  19.82 +/- 0.61   0.000% *  0.0554% (0.12   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ALA   91  22.33 +/- 0.56   0.000% *  0.0089% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.46 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   2.42 +/- 0.30  99.222% * 93.1278% (0.12   6.75  32.43) =  99.999%  kept
          HN    GLY  109 - HN    ALA   91   6.79 +/- 0.89   0.749% *  0.1535% (0.07   0.02   0.02) =   0.001%
          HN    SER   82 - HN    TRP   27  10.62 +/- 0.65   0.017% *  0.5256% (0.22   0.02   0.02) =   0.000%
        T HN    GLN   90 - HN    TRP   27  15.81 +/- 0.90   0.002% *  2.2334% (0.95   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  18.22 +/- 0.67   0.001% *  2.3609% (1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.19 +/- 0.63   0.008% *  0.0649% (0.03   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  20.41 +/- 0.66   0.000% *  1.2421% (0.53   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  18.95 +/- 0.85   0.001% *  0.2917% (0.12   0.02   0.02) =   0.000%
    Distance limit 5.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 310 (8.80, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.94, residual support = 44.3:
        T HN    ASN   28 - HN    TRP   27   2.82 +/- 0.07  89.193% * 99.3695% (0.99   4.94  44.31) =  99.981%  kept
          HN    GLU-  25 - HN    TRP   27   4.02 +/- 0.10  10.778% *  0.1524% (0.38   0.02   0.02) =   0.019%
          HN    ASP-  44 - HN    TRP   27  12.07 +/- 0.52   0.015% *  0.1669% (0.41   0.02   0.02) =   0.000%
          HN    ASP-  44 - HN    ALA   91  12.68 +/- 0.54   0.011% *  0.0206% (0.05   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    TRP   27  20.18 +/- 0.33   0.001% *  0.1976% (0.49   0.02   0.02) =   0.000%
        T HN    ASN   28 - HN    ALA   91  18.75 +/- 0.73   0.001% *  0.0497% (0.12   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    ALA   91  19.15 +/- 0.72   0.001% *  0.0188% (0.05   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    ALA   91  26.20 +/- 0.59   0.000% *  0.0244% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 311 (7.18, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 2.01, residual support = 97.8:
      O   HD1   TRP   27 - HE1   TRP   27   2.64 +/- 0.00  99.974% * 96.5527% (0.76   2.01  97.78) = 100.000%  kept
          HE21  GLN   30 - HE1   TRP   27  10.67 +/- 0.55   0.025% *  1.2490% (0.99   0.02   0.02) =   0.000%
          QD    PHE   59 - HE1   TRP   27  17.70 +/- 0.50   0.001% *  0.9631% (0.76   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE1   TRP   27  24.24 +/- 0.53   0.000% *  1.2352% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 1.2, residual support = 97.8:
      O   HZ2   TRP   27 - HE1   TRP   27   2.85 +/- 0.00  99.997% * 98.2229% (0.45   1.20  97.78) = 100.000%  kept
          HZ    PHE   72 - HE1   TRP   27  16.32 +/- 0.51   0.003% *  1.7771% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 0.936, support = 4.74, residual support = 29.8:
          HN    GLU-  29 - HN    ASN   28   2.73 +/- 0.04  90.526% * 68.6866% (0.98   4.96  31.16) =  95.507%  kept
          HN    GLN   30 - HN    ASN   28   3.98 +/- 0.06   9.457% * 30.9290% (0.80   2.73   6.57) =   4.493%
          HN    ASP-  86 - HN    ASN   28  11.77 +/- 0.56   0.015% *  0.2451% (0.87   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    ASN   28  17.02 +/- 0.30   0.002% *  0.0382% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    ASN   28  19.20 +/- 1.73   0.001% *  0.0629% (0.22   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    ASN   28  21.26 +/- 2.09   0.000% *  0.0382% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 4.94, residual support = 44.3:
          HN    TRP   27 - HN    ASN   28   2.82 +/- 0.07  99.881% * 98.6041% (0.99   4.94  44.31) = 100.000%  kept
          HD1   TRP   87 - HN    ASN   28   9.35 +/- 0.35   0.079% *  0.2444% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    ASN   28  12.71 +/- 0.30   0.012% *  0.1512% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    ASN   28  11.96 +/- 0.33   0.018% *  0.1005% (0.25   0.02   0.02) =   0.000%
          HN    THR   39 - HN    ASN   28  14.50 +/- 0.28   0.006% *  0.2606% (0.65   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   28  18.75 +/- 0.73   0.001% *  0.3079% (0.76   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    ASN   28  15.83 +/- 1.14   0.004% *  0.0545% (0.14   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    ASN   28  21.80 +/- 0.43   0.000% *  0.2768% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 315 (7.17, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.07, residual support = 44.3:
          HD1   TRP   27 - HN    ASN   28   3.34 +/- 0.48  99.764% * 98.0247% (0.41   5.07  44.31) =  99.998%  kept
          HE21  GLN   30 - HN    ASN   28   9.30 +/- 0.70   0.233% *  0.7194% (0.76   0.02   6.57) =   0.002%
          QD    PHE   59 - HN    ASN   28  20.48 +/- 0.52   0.002% *  0.3870% (0.41   0.02   0.02) =   0.000%
          HH2   TRP   49 - HN    ASN   28  27.17 +/- 0.52   0.000% *  0.8690% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 2.0, residual support = 90.6:
      O   HD22  ASN   28 - HD21  ASN   28   1.73 +/- 0.00 100.000% * 99.5447% (0.98   2.00  90.62) = 100.000%  kept
          QE    PHE   72 - HD21  ASN   28  18.69 +/- 0.30   0.000% *  0.4553% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 318 (4.18, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 1.47, residual support = 4.92:
          HA    GLU-  25 - HD21  ASN   28   3.80 +/- 0.11  99.852% * 97.0309% (1.00   1.47   4.92) =  99.999%  kept
          HA    SER   82 - HD21  ASN   28  11.76 +/- 0.91   0.132% *  0.7510% (0.57   0.02   0.02) =   0.001%
          HA    ILE   19 - HD21  ASN   28  16.55 +/- 0.29   0.015% *  1.2548% (0.95   0.02   0.02) =   0.000%
          HA    CYS   53 - HD21  ASN   28  25.62 +/- 0.66   0.001% *  0.9633% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 319 (4.14, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 5.7, residual support = 90.6:
      O   HA    ASN   28 - HN    ASN   28   2.74 +/- 0.01  96.045% * 97.9618% (0.84   5.70  90.62) =  99.989%  kept
          HA    THR   26 - HN    ASN   28   4.67 +/- 0.10   3.932% *  0.2661% (0.65   0.02   0.02) =   0.011%
          HA    ALA   34 - HN    ASN   28  11.98 +/- 0.22   0.014% *  0.3970% (0.97   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASN   28  13.30 +/- 1.87   0.009% *  0.4105% (1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASN   28  24.14 +/- 0.44   0.000% *  0.3568% (0.87   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASN   28  27.17 +/- 0.45   0.000% *  0.3892% (0.95   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   28  25.55 +/- 0.60   0.000% *  0.1270% (0.31   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   28  30.93 +/- 0.87   0.000% *  0.0916% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 0.931, support = 4.69, residual support = 94.3:
      O   HA    TRP   27 - HN    TRP   27   2.77 +/- 0.02  58.515% * 94.0775% (0.97   4.87  97.78) =  96.466%  kept
      O   HA    ALA   91 - HN    ALA   91   2.94 +/- 0.00  41.460% *  4.8645% (0.10   2.45  12.31) =   3.534%
          HA    VAL  107 - HN    ALA   91  12.48 +/- 0.89   0.008% *  0.0320% (0.08   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ALA   91  12.30 +/- 0.45   0.008% *  0.0340% (0.08   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  19.65 +/- 0.42   0.000% *  0.3208% (0.80   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.74 +/- 0.57   0.000% *  0.2592% (0.65   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    ALA   91  12.90 +/- 0.78   0.007% *  0.0098% (0.02   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  17.60 +/- 0.53   0.001% *  0.0478% (0.12   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.81 +/- 0.42   0.000% *  0.2752% (0.69   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    TRP   27  26.35 +/- 0.44   0.000% *  0.0793% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 3.38, residual support = 20.1:
          HB    THR   26 - HN    TRP   27   2.88 +/- 0.12  99.960% * 98.6925% (0.99   3.38  20.13) = 100.000%  kept
          HA    SER   82 - HN    TRP   27  12.24 +/- 0.77   0.018% *  0.1032% (0.18   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   91  12.17 +/- 0.63   0.020% *  0.0127% (0.02   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    TRP   27  23.16 +/- 0.39   0.000% *  0.5685% (0.97   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA   91  19.39 +/- 0.67   0.001% *  0.0721% (0.12   0.02   0.02) =   0.000%
          HA    SER  117 - HN    TRP   27  29.33 +/- 0.45   0.000% *  0.4278% (0.73   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    ALA   91  22.23 +/- 0.50   0.000% *  0.0702% (0.12   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   91  21.62 +/- 0.83   0.001% *  0.0529% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.57 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  23.74 +/- 0.49 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 4.59 A violated in 20 structures by 19.15 A, eliminated.
    Peak unassigned.
 
    Peak 323 (4.20, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.237, support = 4.29, residual support = 28.7:
      O   HB    THR   26 - HN    THR   26   2.22 +/- 0.08  94.984% * 17.1928% (0.15   4.05  28.46) =  79.944%  kept
      O   HA    GLU-  25 - HN    THR   26   3.63 +/- 0.00   5.007% * 81.8161% (0.57   5.25  29.47) =  20.056%  kept
          HA    SER   82 - HN    THR   26  13.05 +/- 0.86   0.003% *  0.5488% (1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    THR   26  11.42 +/- 0.42   0.005% *  0.1876% (0.34   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   26  24.84 +/- 0.45   0.000% *  0.1698% (0.31   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    THR   26  22.55 +/- 0.45   0.000% *  0.0849% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.611, support = 3.0, residual support = 6.25:
          HB    THR   23 - HN    GLU-  25   2.68 +/- 0.32  90.880% * 29.4939% (0.53   2.85   6.25) =  81.407%  kept
          HA    THR   23 - HN    GLU-  25   4.06 +/- 0.08   8.775% * 69.7551% (0.98   3.62   6.25) =  18.591%  kept
          HA    LEU   80 - HN    GLU-  25   7.20 +/- 0.50   0.341% *  0.2700% (0.69   0.02   0.02) =   0.003%
          HA    ASP-  78 - HN    GLU-  25  14.74 +/- 0.30   0.004% *  0.3718% (0.95   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    GLU-  25  24.34 +/- 0.49   0.000% *  0.1093% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 325 (4.19, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.92, residual support = 127.5:
      O   HA    GLU-  25 - HN    GLU-  25   2.71 +/- 0.01  99.965% * 99.2584% (0.87   5.92 127.52) = 100.000%  kept
          HA    SER   82 - HN    GLU-  25  10.84 +/- 0.91   0.029% *  0.3466% (0.90   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLU-  25  14.02 +/- 0.28   0.005% *  0.2500% (0.65   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLU-  25  23.33 +/- 0.39   0.000% *  0.1450% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.689, support = 5.0, residual support = 25.2:
      O   HA    THR   23 - HN    VAL   24   2.31 +/- 0.06  79.775% * 74.5628% (0.73   4.96  25.16) =  92.721%  kept
          HB    THR   23 - HN    VAL   24   2.99 +/- 0.20  18.803% * 24.8245% (0.22   5.39  25.16) =   7.276%  kept
          HA    LEU   80 - HN    VAL   24   4.68 +/- 0.50   1.415% *  0.1411% (0.34   0.02  10.63) =   0.003%
          HA    ASP-  78 - HN    VAL   24  12.26 +/- 0.34   0.004% *  0.3992% (0.97   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    VAL   24  12.83 +/- 0.42   0.003% *  0.0724% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 0.715, support = 3.35, residual support = 19.3:
      O   HA    THR   23 - HN    THR   23   2.86 +/- 0.04  83.858% * 31.7567% (0.61   3.09  19.30) =  72.241%  kept
      O   HB    THR   23 - HN    THR   23   3.82 +/- 0.06  15.154% * 67.5065% (1.00   4.00  19.30) =  27.751%  kept
          HA    LEU   80 - HN    THR   23   6.32 +/- 0.72   0.971% *  0.3201% (0.95   0.02  10.39) =   0.008%
          HA    ASP-  78 - HN    THR   23  11.87 +/- 0.22   0.017% *  0.1044% (0.31   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    THR   23  22.66 +/- 0.45   0.000% *  0.3123% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 0.714, support = 0.0197, residual support = 0.0197:
          HA    ALA   20 - HN    THR   23   7.24 +/- 0.15  98.590% * 46.5057% (0.73   0.02   0.02) =  98.382%  kept
          HA    LEU   71 - HN    THR   23  14.70 +/- 0.20   1.410% * 53.4943% (0.84   0.02   0.02) =   1.618%
    Distance limit 4.13 A violated in 20 structures by 3.10 A, eliminated.
    Peak unassigned.
 
    Peak 329 (4.22, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 2.25, residual support = 13.9:
          HB    THR   26 - HN    THR   23   3.32 +/- 0.14  99.941% * 98.3538% (0.99   2.25  13.95) = 100.000%  kept
          HA    SER   82 - HN    THR   23  11.71 +/- 0.82   0.058% *  0.1545% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   23  22.53 +/- 0.30   0.001% *  0.8513% (0.97   0.02   0.02) =   0.000%
          HA    SER  117 - HN    THR   23  29.65 +/- 0.34   0.000% *  0.6405% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 330 (7.61, 6.97, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 2.0, residual support = 90.6:
      O   HD21  ASN   28 - HD22  ASN   28   1.73 +/- 0.00  99.991% * 97.8071% (0.98   2.00  90.62) = 100.000%  kept
          HZ2   TRP   87 - HD22  ASN   28   8.42 +/- 0.75   0.009% *  0.9890% (0.99   0.02   0.02) =   0.000%
          QE    PHE   60 - HD22  ASN   28  18.22 +/- 0.85   0.000% *  0.4857% (0.49   0.02   0.02) =   0.000%
          HN    LEU   63 - HD22  ASN   28  25.37 +/- 0.61   0.000% *  0.4102% (0.41   0.02   0.02) =   0.000%
          HN    ILE   56 - HD22  ASN   28  27.35 +/- 0.77   0.000% *  0.3080% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (8.79, 8.29, 121.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.96, residual support = 31.2:
        T HN    ASN   28 - HN    GLU-  29   2.73 +/- 0.04  98.865% * 99.1171% (0.76   4.96  31.16) =  99.996%  kept
          HN    GLU-  25 - HN    GLU-  29   5.78 +/- 0.21   1.130% *  0.3797% (0.73   0.02   0.22) =   0.004%
          HN    ASP-  44 - HN    GLU-  29  14.54 +/- 0.46   0.004% *  0.3996% (0.76   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    GLU-  29  20.18 +/- 0.27   0.001% *  0.1035% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 332 (7.84, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 6.97, residual support = 51.2:
        T HN    LEU   31 - HN    GLN   30   2.50 +/- 0.05  99.988% * 98.9611% (0.73   6.97  51.17) = 100.000%  kept
          HN    ALA   88 - HN    GLN   30  17.14 +/- 0.34   0.001% *  0.2058% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LYS+  99  11.93 +/- 0.50   0.009% *  0.0187% (0.05   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   30  21.71 +/- 0.38   0.000% *  0.2531% (0.65   0.02   0.02) =   0.000%
        T HN    PHE   55 - HN    GLN   30  26.32 +/- 0.40   0.000% *  0.3776% (0.97   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    LYS+  99  16.84 +/- 0.41   0.001% *  0.0135% (0.03   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   30  25.29 +/- 0.42   0.000% *  0.1208% (0.31   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    LYS+  99  19.71 +/- 0.30   0.000% *  0.0166% (0.04   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LYS+  99  25.45 +/- 0.25   0.000% *  0.0248% (0.06   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    LYS+  99  25.87 +/- 0.24   0.000% *  0.0079% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 5.82, residual support = 44.6:
        T HN    LEU   31 - HN    GLN   32   2.77 +/- 0.11  99.912% * 99.0529% (0.98   5.82  44.62) = 100.000%  kept
          HN    LYS+  38 - HN    GLN   32   9.04 +/- 0.27   0.086% *  0.0774% (0.22   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   32  17.83 +/- 0.35   0.001% *  0.0774% (0.22   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   32  23.54 +/- 0.49   0.000% *  0.3288% (0.95   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   32  27.94 +/- 0.46   0.000% *  0.2248% (0.65   0.02   0.02) =   0.000%
        T HN    PHE   55 - HN    GLN   32  28.69 +/- 0.44   0.000% *  0.2387% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 43.4:
      O   HE22  GLN   32 - HE21  GLN   32   1.73 +/- 0.00 100.000% * 94.7686% (0.87   1.00  43.42) = 100.000%  kept
          HE22  GLN   17 - HE21  GLN   32  23.27 +/- 1.69   0.000% *  2.1418% (0.98   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   32  26.24 +/- 2.72   0.000% *  1.6699% (0.76   0.02   0.02) =   0.000%
          HD2   HIS  122 - HE21  GLN   32  27.48 +/- 1.00   0.000% *  0.6744% (0.31   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   32  35.76 +/- 1.26   0.000% *  0.7453% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.78 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 = 43.4:
      O T HE21  GLN   32 - HE22  GLN   32   1.73 +/- 0.00  99.960% * 88.5613% (0.83   1.00  43.42) = 100.000%  kept
          HN    ALA   84 - HE22  GLN   90   8.38 +/- 2.69   0.039% *  0.8010% (0.38   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   90  16.20 +/- 2.22   0.000% *  0.8010% (0.38   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   32  19.52 +/- 1.34   0.000% *  2.1018% (0.99   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   90  19.25 +/- 1.34   0.000% *  0.5868% (0.28   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   17  15.23 +/- 0.61   0.000% *  0.1542% (0.07   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   32  27.86 +/- 0.70   0.000% *  1.2862% (0.61   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   90  23.97 +/- 0.96   0.000% *  0.4902% (0.23   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   90  26.24 +/- 2.72   0.000% *  0.6750% (0.32   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   32  31.60 +/- 1.26   0.000% *  2.1018% (0.99   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   17  21.47 +/- 1.01   0.000% *  0.1846% (0.09   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   17  23.27 +/- 1.69   0.000% *  0.2124% (0.10   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   17  24.19 +/- 1.59   0.000% *  0.2520% (0.12   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   32  32.90 +/- 0.96   0.000% *  1.5398% (0.73   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   17  26.16 +/- 0.78   0.000% *  0.2520% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 338 (7.75, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.3, residual support = 45.3:
          HN    GLU-  36 - HN    ASN   35   2.65 +/- 0.10  98.011% * 98.6560% (0.90   5.30  45.30) =  99.992%  kept
          HN    THR   39 - HN    ASN   35   5.13 +/- 0.20   1.920% *  0.4007% (0.97   0.02   0.02) =   0.008%
          HN    LYS+ 102 - HN    ASN   35   9.65 +/- 1.04   0.053% *  0.3015% (0.73   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    ASN   35  11.78 +/- 0.24   0.013% *  0.1707% (0.41   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    ASN   35  15.11 +/- 0.29   0.003% *  0.4070% (0.98   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   35  24.12 +/- 0.56   0.000% *  0.0641% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 54.0:
      O T HD22  ASN   35 - HD21  ASN   35   1.73 +/- 0.00 100.000% *100.0000% (0.99   2.00  54.03) = 100.000%  kept
    Distance limit 2.67 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 = 4.26, residual support = 54.0:
      O   HA    ASN   35 - HN    ASN   35   2.79 +/- 0.03  99.579% * 97.7081% (0.98   4.26  54.03) =  99.998%  kept
          HA    LYS+  99 - HN    ASN   35   7.54 +/- 0.42   0.271% *  0.4197% (0.90   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    ASN   35   8.34 +/- 0.19   0.141% *  0.2278% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ASN   35  14.28 +/- 0.98   0.006% *  0.1445% (0.31   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ASN   35  18.06 +/- 2.16   0.002% *  0.1445% (0.31   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASN   35  24.28 +/- 0.68   0.000% *  0.4670% (1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ASN   35  25.71 +/- 0.33   0.000% *  0.4639% (0.99   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ASN   35  25.73 +/- 0.43   0.000% *  0.1596% (0.34   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ASN   35  29.60 +/- 0.26   0.000% *  0.2650% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 2.5, residual support = 154.2:
      O   HE21  GLN   30 - HE22  GLN   30   1.73 +/- 0.00  99.993% * 97.6425% (0.90   2.50 154.16) = 100.000%  kept
          HD1   TRP   27 - HE22  GLN   30   8.78 +/- 0.67   0.007% *  0.8627% (0.99   0.02   0.02) =   0.000%
          QD    PHE   59 - HE22  GLN   30  16.18 +/- 0.49   0.000% *  0.8627% (0.99   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE22  GLN   30  26.04 +/- 0.65   0.000% *  0.6321% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 2.5, residual support = 154.2:
      O T HE22  GLN   30 - HE21  GLN   30   1.73 +/- 0.00  99.999% * 99.0286% (0.92   2.50 154.16) = 100.000%  kept
          HD22  ASN   69 - HE21  GLN   30  13.54 +/- 1.62   0.001% *  0.5202% (0.61   0.02   0.02) =   0.000%
          HN    TRP   49 - HE21  GLN   30  22.35 +/- 1.22   0.000% *  0.4512% (0.53   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 0.229, support = 0.0179, residual support = 0.0179:
          HA    VAL   42 - HN    GLN   30  12.53 +/- 0.29   6.449% *  6.4793% (0.25   0.02   0.02) =  40.330%  kept
          HA    VAL   42 - HN    LYS+  99   8.08 +/- 0.19  88.386% *  0.4257% (0.02   0.02   0.02) =  36.314%  kept
          HA    GLN   90 - HN    GLN   30  19.10 +/- 0.83   0.522% * 25.0767% (0.97   0.02   0.02) =  12.644%  kept
          HA    ALA  110 - HN    GLN   30  23.60 +/- 0.33   0.144% * 25.9267% (1.00   0.02   0.02) =   3.600%
          HA    VAL  107 - HN    GLN   30  21.98 +/- 0.43   0.221% *  8.8635% (0.34   0.02   0.02) =   1.894%
          HA    VAL  107 - HN    LYS+  99  14.13 +/- 0.21   3.119% *  0.5823% (0.02   0.02   0.02) =   1.753%
          HA    PHE   55 - HN    GLN   30  27.69 +/- 0.37   0.055% * 21.7040% (0.84   0.02   0.02) =   1.159%
          HA    ALA   91 - HN    GLN   30  22.59 +/- 0.40   0.188% *  5.7850% (0.22   0.02   0.02) =   1.048%
          HA    ALA  110 - HN    LYS+  99  19.90 +/- 0.22   0.401% *  1.7034% (0.07   0.02   0.02) =   0.659%
          HA    GLN   90 - HN    LYS+  99  21.26 +/- 0.37   0.270% *  1.6475% (0.06   0.02   0.02) =   0.429%
          HA    PHE   55 - HN    LYS+  99  26.06 +/- 0.26   0.080% *  1.4259% (0.05   0.02   0.02) =   0.109%
          HA    ALA   91 - HN    LYS+  99  23.08 +/- 0.37   0.165% *  0.3801% (0.01   0.02   0.02) =   0.061%
    Distance limit 4.56 A violated in 20 structures by 3.42 A, eliminated.
    Peak unassigned.
 
    Peak 346 (8.09, 7.95, 120.58 ppm):
    4 chemical-shift based assignments, quality = 0.795, support = 4.81, residual support = 43.1:
          HN    ALA   34 - HN    LYS+  33   2.58 +/- 0.04  58.894% * 79.7029% (0.90   4.73  48.18) =  85.375%  kept
          HN    GLN   32 - HN    LYS+  33   2.74 +/- 0.03  41.105% * 19.5626% (0.20   5.27  13.37) =  14.625%  kept
          HN    LEU   80 - HN    LYS+  33  17.41 +/- 0.48   0.001% *  0.3623% (0.97   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    LYS+  33  26.79 +/- 0.37   0.000% *  0.3721% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 54.0:
      O   HD21  ASN   35 - HD22  ASN   35   1.73 +/- 0.00 100.000% * 95.5852% (0.73   2.00  54.03) = 100.000%  kept
          HD2   HIS   22 - HD22  ASN   35  20.97 +/- 1.25   0.000% *  1.3134% (1.00   0.02   0.02) =   0.000%
          HN    THR   23 - HD22  ASN   35  17.92 +/- 1.07   0.000% *  0.4490% (0.34   0.02   0.02) =   0.000%
          HN    LEU   67 - HD22  ASN   35  21.86 +/- 0.68   0.000% *  0.9559% (0.73   0.02   0.02) =   0.000%
          QE    PHE   95 - HD22  ASN   35  20.84 +/- 0.81   0.000% *  0.4063% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   49 - HD22  ASN   35  30.51 +/- 1.24   0.000% *  1.2903% (0.98   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 5.3, residual support = 45.3:
        T HN    ASN   35 - HN    GLU-  36   2.65 +/- 0.10  99.980% * 99.7030% (0.99   5.30  45.30) = 100.000%  kept
        T HN    LYS+  99 - HN    GLU-  36  11.16 +/- 0.42   0.019% *  0.0514% (0.14   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLU-  36  20.47 +/- 3.24   0.001% *  0.2456% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.316, support = 3.73, residual support = 16.6:
          HN    GLU-  36 - HN    SER   37   2.49 +/- 0.08  89.060% * 36.7662% (0.25   3.97  19.34) =  83.185%  kept
          HN    THR   39 - HN    SER   37   3.58 +/- 0.15  10.924% * 60.5913% (0.65   2.52   2.73) =  16.815%  kept
          HN    TRP   27 - HN    SER   37  14.61 +/- 0.24   0.002% *  0.7358% (0.99   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    SER   37  11.21 +/- 0.96   0.012% *  0.1005% (0.14   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    SER   37  18.51 +/- 0.26   0.001% *  0.4503% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    SER   37  18.14 +/- 0.25   0.001% *  0.2786% (0.38   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    SER   37  23.19 +/- 0.51   0.000% *  0.5099% (0.69   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    SER   37  27.12 +/- 0.54   0.000% *  0.5673% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.946, support = 4.71, residual support = 15.1:
          HN    THR   39 - HN    LYS+  38   2.79 +/- 0.04  86.838% * 98.4462% (0.95   4.71  15.15) =  99.962%  kept
          HN    GLU-  36 - HN    LYS+  38   3.83 +/- 0.06  13.097% *  0.2502% (0.57   0.02   0.63) =   0.038%
          HN    LYS+ 102 - HN    LYS+  38   9.62 +/- 0.90   0.060% *  0.1658% (0.38   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    LYS+  38  16.10 +/- 0.37   0.002% *  0.3377% (0.76   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  38  18.84 +/- 0.34   0.001% *  0.4079% (0.92   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    LYS+  38  17.86 +/- 0.31   0.001% *  0.0598% (0.14   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    LYS+  38  23.34 +/- 0.42   0.000% *  0.1507% (0.34   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    LYS+  38  27.21 +/- 0.67   0.000% *  0.1817% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 4.59, residual support = 42.8:
      O   HA    ASN   35 - HN    GLU-  36   3.64 +/- 0.01  86.998% * 54.8320% (0.38   4.70  45.30) =  90.260%  kept
          HA    SER   37 - HN    GLU-  36   5.04 +/- 0.08  12.392% * 41.5220% (0.38   3.56  19.34) =   9.736%  kept
          HA    LEU   40 - HN    GLU-  36   9.97 +/- 0.17   0.208% *  0.6214% (1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HN    GLU-  36   9.12 +/- 0.41   0.369% *  0.1550% (0.25   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    GLU-  36  15.13 +/- 1.00   0.019% *  0.5878% (0.95   0.02   0.02) =   0.000%
          HA    SER   13 - HN    GLU-  36  18.12 +/- 2.14   0.008% *  0.5878% (0.95   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    GLU-  36  18.94 +/- 0.54   0.004% *  0.2332% (0.38   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  36  27.87 +/- 0.45   0.000% *  0.5997% (0.97   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  36  24.91 +/- 0.35   0.001% *  0.2786% (0.45   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  36  25.71 +/- 0.72   0.001% *  0.3269% (0.53   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  36  28.11 +/- 0.31   0.000% *  0.2555% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.44 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 = 5.47, residual support = 82.9:
      O   HA    GLU-  36 - HN    GLU-  36   2.82 +/- 0.02  99.999% * 99.2339% (0.69   5.47  82.91) = 100.000%  kept
          HA    LYS+  66 - HN    GLU-  36  22.22 +/- 0.47   0.000% *  0.3627% (0.69   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    GLU-  36  23.43 +/- 0.44   0.000% *  0.2989% (0.57   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLU-  36  25.76 +/- 1.11   0.000% *  0.1045% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 3.78, residual support = 25.6:
      O   HA    SER   37 - HN    SER   37   2.88 +/- 0.02  99.841% * 97.2929% (0.97   3.78  25.62) = 100.000%  kept
          HA    LEU   40 - HN    SER   37   8.68 +/- 0.11   0.132% *  0.2809% (0.53   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    SER   37  13.50 +/- 1.03   0.010% *  0.3877% (0.73   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    SER   37  13.38 +/- 0.16   0.010% *  0.2394% (0.45   0.02   0.02) =   0.000%
          HA    SER   13 - HN    SER   37  16.59 +/- 1.97   0.004% *  0.3877% (0.73   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    SER   37  17.40 +/- 0.60   0.002% *  0.5153% (0.97   0.02   0.02) =   0.000%
          HA    THR   46 - HN    SER   37  24.72 +/- 0.27   0.000% *  0.5292% (0.99   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    SER   37  26.58 +/- 0.50   0.000% *  0.3668% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 19.3:
      O   HA    GLU-  36 - HN    SER   37   3.51 +/- 0.02  99.996% * 98.3670% (0.34   4.29  19.34) = 100.000%  kept
          HA    LYS+  66 - HN    SER   37  20.22 +/- 0.49   0.003% *  1.2977% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    SER   37  24.39 +/- 0.33   0.001% *  0.3353% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 355 (4.41, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.28, residual support = 8.38:
      O   HA    SER   37 - HN    LYS+  38   3.34 +/- 0.05  99.187% * 96.3909% (0.73   4.28   8.38) =  99.996%  kept
          HA    LEU   40 - HN    LYS+  38   7.54 +/- 0.06   0.758% *  0.5186% (0.84   0.02   0.02) =   0.004%
          HA    GLU-  15 - HN    LYS+  38  14.73 +/- 1.02   0.015% *  0.5992% (0.97   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    LYS+  38  13.06 +/- 0.09   0.028% *  0.1229% (0.20   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LYS+  38  18.12 +/- 1.85   0.005% *  0.5992% (0.97   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LYS+  38  18.21 +/- 0.55   0.004% *  0.4508% (0.73   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LYS+  38  25.11 +/- 0.17   0.001% *  0.4971% (0.80   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LYS+  38  26.68 +/- 0.43   0.000% *  0.5873% (0.95   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  38  22.75 +/- 0.75   0.001% *  0.1382% (0.22   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  38  27.04 +/- 0.31   0.000% *  0.0958% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (4.09, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 0.632, residual support = 0.632:
          HA    GLU-  36 - HN    LYS+  38   3.66 +/- 0.15  99.993% * 93.5619% (0.97   0.63   0.63) = 100.000%  kept
          HA    LYS+  66 - HN    LYS+  38  19.91 +/- 0.49   0.004% *  1.0458% (0.34   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  38  22.43 +/- 1.16   0.002% *  1.4923% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  38  25.11 +/- 0.39   0.001% *  2.7495% (0.90   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LYS+  38  30.61 +/- 0.44   0.000% *  1.1506% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 357 (4.27, 7.75, 114.55 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.36, residual support = 34.4:
      O   HA    THR   39 - HN    THR   39   2.90 +/- 0.02  99.975% * 96.7294% (1.00   3.36  34.36) = 100.000%  kept
          HA    ILE  103 - HN    THR   39  12.02 +/- 0.46   0.020% *  0.4176% (0.73   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    THR   39  17.04 +/- 0.14   0.002% *  0.3025% (0.53   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   39  20.91 +/- 3.01   0.001% *  0.2799% (0.49   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    THR   39  23.20 +/- 0.45   0.000% *  0.4395% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    THR   39  25.11 +/- 0.22   0.000% *  0.5700% (0.99   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   39  24.43 +/- 0.25   0.000% *  0.3488% (0.61   0.02   0.02) =   0.000%
          HB    THR   77 - HN    THR   39  25.38 +/- 0.28   0.000% *  0.3488% (0.61   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   39  31.75 +/- 0.24   0.000% *  0.5637% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 4.12, residual support = 24.3:
      O   HA    THR   39 - HN    LEU   40   2.29 +/- 0.01  99.987% * 97.3137% (1.00   4.12  24.25) = 100.000%  kept
          HA    ILE  103 - HN    LEU   40  10.56 +/- 0.36   0.011% *  0.3430% (0.73   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   40  14.54 +/- 0.18   0.002% *  0.2485% (0.53   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   40  20.01 +/- 0.45   0.000% *  0.3609% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   40  21.73 +/- 2.50   0.000% *  0.2299% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU   40  25.08 +/- 0.25   0.000% *  0.4681% (0.99   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU   40  24.09 +/- 0.31   0.000% *  0.2865% (0.61   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU   40  24.19 +/- 0.22   0.000% *  0.2865% (0.61   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   40  29.13 +/- 0.28   0.000% *  0.4629% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 359 (4.40, 8.88, 128.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.42, residual support = 107.1:
      O   HA    LEU   40 - HN    LEU   40   2.80 +/- 0.01  97.318% * 97.9680% (1.00   5.42 107.07) =  99.997%  kept
          HA    LYS+  99 - HN    LEU   40   5.25 +/- 0.27   2.355% *  0.0902% (0.25   0.02  14.08) =   0.002%
          HA    ASN   35 - HN    LEU   40   8.23 +/- 0.27   0.153% *  0.1357% (0.38   0.02   0.02) =   0.000%
          HA    SER   37 - HN    LEU   40   8.32 +/- 0.06   0.141% *  0.1357% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU   40  11.98 +/- 1.03   0.018% *  0.3422% (0.95   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LEU   40  13.48 +/- 0.43   0.008% *  0.1357% (0.38   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   40  17.05 +/- 1.52   0.002% *  0.3422% (0.95   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LEU   40  15.76 +/- 0.73   0.003% *  0.1903% (0.53   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU   40  20.32 +/- 0.44   0.001% *  0.3491% (0.97   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   40  20.91 +/- 0.19   0.001% *  0.1622% (0.45   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU   40  20.92 +/- 0.39   0.001% *  0.1487% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (4.85, 9.02, 128.16 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 4.51, residual support = 70.4:
      O   HA    VAL   41 - HN    VAL   41   2.93 +/- 0.01  99.990% * 97.4902% (0.22   4.51  70.40) = 100.000%  kept
          HA    PHE   45 - HN    VAL   41  14.24 +/- 0.17   0.008% *  1.4824% (0.76   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   41  18.65 +/- 0.38   0.002% *  0.2993% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   41  22.99 +/- 0.20   0.000% *  0.7280% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 361 (4.40, 9.02, 128.16 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.02, residual support = 18.5:
      O   HA    LEU   40 - HN    VAL   41   2.23 +/- 0.02  91.470% * 97.8093% (1.00   5.02  18.47) =  99.991%  kept
          HA    LYS+  99 - HN    VAL   41   3.37 +/- 0.25   8.454% *  0.0972% (0.25   0.02   0.02) =   0.009%
          HA    ASN   35 - HN    VAL   41   7.54 +/- 0.33   0.065% *  0.1464% (0.38   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   41  10.78 +/- 0.09   0.007% *  0.1464% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    VAL   41  13.88 +/- 1.12   0.002% *  0.3689% (0.95   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   41  14.44 +/- 0.39   0.001% *  0.1464% (0.38   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    VAL   41  17.01 +/- 0.55   0.000% *  0.2052% (0.53   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   41  19.53 +/- 1.67   0.000% *  0.3689% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   41  19.56 +/- 0.30   0.000% *  0.3763% (0.97   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   41  17.80 +/- 0.17   0.000% *  0.1748% (0.45   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    VAL   41  18.97 +/- 0.28   0.000% *  0.1603% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 5.54, residual support = 32.3:
        T HN    LEU   98 - HN    VAL   41   2.81 +/- 0.19 100.000% *100.0000% (0.97   5.54  32.33) = 100.000%  kept
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 363 (5.25, 8.95, 126.35 ppm):
    1 chemical-shift based assignment, quality = 0.223, support = 1.26, residual support = 5.58:
          HA    PHE   72 - HN    VAL   42   3.13 +/- 0.33 100.000% *100.0000% (0.22   1.26   5.58) = 100.000%  kept
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 364 (4.85, 8.95, 126.35 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 5.17, residual support = 23.9:
      O   HA    VAL   41 - HN    VAL   42   2.19 +/- 0.00  99.993% * 97.8029% (0.22   5.17  23.85) = 100.000%  kept
          HA    PHE   45 - HN    VAL   42  11.08 +/- 0.07   0.006% *  1.2978% (0.76   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   42  16.33 +/- 0.30   0.001% *  0.2620% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   42  20.14 +/- 0.16   0.000% *  0.6373% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 5.47, residual support = 88.3:
      O   HA    VAL   42 - HN    VAL   42   2.94 +/- 0.00  99.930% * 98.7555% (0.87   5.47  88.32) = 100.000%  kept
          HA    GLN   17 - HN    VAL   42  10.86 +/- 0.37   0.040% *  0.1286% (0.31   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   42  12.63 +/- 0.32   0.016% *  0.1286% (0.31   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   42  16.14 +/- 0.26   0.004% *  0.2359% (0.57   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   42  14.49 +/- 0.12   0.007% *  0.1039% (0.25   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   42  17.94 +/- 0.60   0.002% *  0.2862% (0.69   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   42  20.25 +/- 0.29   0.001% *  0.3614% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 366 (4.44, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.07, residual support = 40.8:
      O   HA    VAL   42 - HN    VAL   43   2.20 +/- 0.01  99.986% * 98.8363% (1.00   5.07  40.83) = 100.000%  kept
          HA    THR   46 - HN    VAL   43  11.08 +/- 0.07   0.006% *  0.2213% (0.57   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   43  13.00 +/- 0.24   0.002% *  0.2529% (0.65   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   43  12.40 +/- 0.24   0.003% *  0.0975% (0.25   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   43  14.10 +/- 0.52   0.001% *  0.1334% (0.34   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   43  16.56 +/- 0.24   0.001% *  0.2529% (0.65   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   43  17.68 +/- 0.31   0.000% *  0.2057% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 368 (4.90, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 0.234, residual support = 0.234:
          HA    LYS+  74 - HN    ASP-  44   3.68 +/- 0.36  99.219% * 67.1836% (0.28   0.23   0.23) =  99.934%  kept
          HA    VAL   41 - HN    ASP-  44   8.61 +/- 0.19   0.682% *  4.0808% (0.20   0.02   0.02) =   0.042%
          HA    MET   92 - HN    ASP-  44  12.35 +/- 0.42   0.077% * 17.8868% (0.87   0.02   0.02) =   0.021%
          HA    HIS  122 - HN    ASP-  44  15.33 +/- 0.48   0.022% * 10.8489% (0.53   0.02   0.02) =   0.004%
    Distance limit 3.89 A violated in 4 structures by 0.06 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 369 (4.67, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.7, residual support = 15.6:
      O   HA    VAL   43 - HN    ASP-  44   2.21 +/- 0.02  99.977% * 99.0260% (0.87   3.70  15.63) = 100.000%  kept
          HA    LEU   71 - HN    ASP-  44   9.60 +/- 0.19   0.015% *  0.3000% (0.49   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASP-  44  10.93 +/- 0.44   0.007% *  0.3000% (0.49   0.02   0.02) =   0.000%
          HA    ASN   69 - HN    ASP-  44  15.09 +/- 0.22   0.001% *  0.3739% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 370 (4.30, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.487, support = 3.77, residual support = 35.4:
      O   HA    ASP-  44 - HN    ASP-  44   2.91 +/- 0.00  99.943% * 94.5233% (0.49   3.77  35.37) = 100.000%  kept
          HB    THR   77 - HN    ASP-  44  11.79 +/- 0.21   0.023% *  0.4231% (0.41   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  44  12.64 +/- 0.23   0.015% *  0.3176% (0.31   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP-  44  15.83 +/- 0.36   0.004% *  1.0268% (1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  44  15.12 +/- 0.23   0.005% *  0.7069% (0.69   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  44  17.35 +/- 1.13   0.003% *  1.0087% (0.98   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP-  44  14.80 +/- 0.41   0.006% *  0.4231% (0.41   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  44  22.84 +/- 1.96   0.001% *  1.0291% (1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  44  25.56 +/- 3.50   0.001% *  0.5414% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (8.02, 8.74, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.3, residual support = 27.2:
        T HN    THR   94 - HN    PHE   45   2.92 +/- 0.16  99.952% * 99.2856% (0.84   3.30  27.20) = 100.000%  kept
          HN    GLU-  79 - HN    PHE   45  10.50 +/- 0.22   0.048% *  0.7144% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 372 (6.84, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.92, residual support = 77.3:
          QD    PHE   45 - HN    PHE   45   2.05 +/- 0.12  99.999% * 98.3369% (0.53   4.92  77.25) = 100.000%  kept
          HD2   HIS  122 - HN    PHE   45  13.99 +/- 0.30   0.001% *  0.7332% (0.97   0.02   0.02) =   0.000%
          HE22  GLN  116 - HN    PHE   45  17.79 +/- 0.99   0.000% *  0.7187% (0.95   0.02   0.02) =   0.000%
          HE22  GLN   17 - HN    PHE   45  19.35 +/- 1.04   0.000% *  0.2112% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 373 (5.96, 8.74, 125.75 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 1.89, residual support = 1.89:
          HA    PHE   95 - HN    PHE   45   3.60 +/- 0.27 100.000% *100.0000% (1.00   1.89   1.89) = 100.000%  kept
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 374 (4.86, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.99, residual support = 77.3:
      O   HA    PHE   45 - HN    PHE   45   2.84 +/- 0.01  99.959% * 99.5674% (0.99   3.99  77.25) = 100.000%  kept
          HA    VAL   41 - HN    PHE   45  11.57 +/- 0.10   0.022% *  0.2648% (0.53   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    PHE   45  12.12 +/- 0.10   0.017% *  0.0681% (0.14   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    PHE   45  17.05 +/- 0.39   0.002% *  0.0996% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 375 (4.29, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.04, residual support = 12.8:
      O   HA    ASP-  44 - HN    PHE   45   2.28 +/- 0.01  99.933% * 96.6708% (1.00   4.04  12.79) = 100.000%  kept
          HB    THR   77 - HN    PHE   45   8.73 +/- 0.15   0.032% *  0.4744% (0.99   0.02  10.42) =   0.000%
          HA    SER   85 - HN    PHE   45  11.90 +/- 0.48   0.005% *  0.4744% (0.99   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    PHE   45   9.59 +/- 0.43   0.019% *  0.0838% (0.18   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    PHE   45  12.88 +/- 0.21   0.003% *  0.4528% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    PHE   45  12.96 +/- 0.22   0.003% *  0.2903% (0.61   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    PHE   45  13.62 +/- 0.32   0.002% *  0.2146% (0.45   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    PHE   45  14.06 +/- 0.17   0.002% *  0.1968% (0.41   0.02   0.02) =   0.000%
          HA    THR   39 - HN    PHE   45  18.10 +/- 0.15   0.000% *  0.2518% (0.53   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    PHE   45  21.37 +/- 1.11   0.000% *  0.1796% (0.38   0.02   0.02) =   0.000%
          HA    MET   11 - HN    PHE   45  29.46 +/- 3.68   0.000% *  0.4776% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    PHE   45  26.79 +/- 2.04   0.000% *  0.2330% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 376 (6.83, 8.46, 117.19 ppm):
    6 chemical-shift based assignments, quality = 0.223, support = 4.42, residual support = 12.5:
          QD    PHE   45 - HN    THR   46   3.90 +/- 0.12  99.838% * 94.4448% (0.22   4.42  12.49) =  99.999%  kept
          HE22  GLN   90 - HN    THR   46  12.13 +/- 1.25   0.136% *  0.2961% (0.15   0.02   0.02) =   0.000%
          HD2   HIS  122 - HN    THR   46  17.81 +/- 0.31   0.011% *  1.8155% (0.95   0.02   0.02) =   0.000%
          HE22  GLN  116 - HN    THR   46  20.35 +/- 1.13   0.005% *  1.8522% (0.97   0.02   0.02) =   0.000%
          HE22  GLN   17 - HN    THR   46  19.19 +/- 1.32   0.008% *  1.1641% (0.61   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    THR   46  24.30 +/- 1.05   0.002% *  0.4273% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 377 (5.00, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.74, residual support = 3.96:
          HA    ASP-  76 - HN    THR   46   2.77 +/- 0.25  99.999% * 98.8093% (0.53   2.74   3.96) = 100.000%  kept
          HA    LEU   67 - HN    THR   46  19.31 +/- 0.35   0.001% *  1.1907% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 378 (4.85, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.97, residual support = 12.5:
      O   HA    PHE   45 - HN    THR   46   2.31 +/- 0.02  99.945% * 99.5063% (0.76   3.97  12.49) = 100.000%  kept
          HA    ASP-  78 - HN    THR   46   8.21 +/- 0.11   0.049% *  0.2463% (0.38   0.02   0.02) =   0.000%
          HA    THR   23 - HN    THR   46  12.25 +/- 0.41   0.005% *  0.1013% (0.15   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    THR   46  14.82 +/- 0.10   0.001% *  0.1461% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 379 (4.44, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 3.25, residual support = 34.5:
      O   HA    THR   46 - HN    THR   46   2.95 +/- 0.00  99.270% * 96.4272% (0.57   3.25  34.52) =  99.997%  kept
          HA    GLN   90 - HN    THR   46   7.11 +/- 1.21   0.647% *  0.3576% (0.34   0.02   0.02) =   0.002%
          HA    VAL   42 - HN    THR   46  12.10 +/- 0.09   0.021% *  1.0460% (1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    THR   46  10.48 +/- 0.22   0.050% *  0.2614% (0.25   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    THR   46  14.13 +/- 0.28   0.008% *  0.5515% (0.53   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    THR   46  15.85 +/- 0.41   0.004% *  0.6782% (0.65   0.02   0.02) =   0.000%
          HA    SER   37 - HN    THR   46  24.78 +/- 0.36   0.000% *  0.6782% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 381 (9.28, 8.46, 117.19 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.13, residual support = 9.54:
          HN    THR   77 - HN    THR   46   3.02 +/- 0.12 100.000% *100.0000% (1.00   2.13   9.54) = 100.000%  kept
    Distance limit 4.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 382 (4.57, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.793, support = 2.0, residual support = 10.8:
          HA    CYS   50 - HN    ALA   47   2.48 +/- 0.12  72.014% * 37.1195% (0.73   1.76  11.86) =  61.049%  kept
      O   HA    ALA   47 - HN    ALA   47   2.92 +/- 0.02  27.725% * 61.5144% (0.90   2.36   9.07) =  38.949%  kept
          HA    TRP   49 - HN    ALA   47   6.58 +/- 0.16   0.207% *  0.3052% (0.53   0.02  16.92) =   0.001%
          HA1   GLY  109 - HN    ALA   47   8.54 +/- 0.49   0.046% *  0.3985% (0.69   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    ALA   47  12.09 +/- 0.60   0.006% *  0.4645% (0.80   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA   47  15.06 +/- 0.37   0.001% *  0.1979% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 384 (4.44, 7.01, 120.97 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 3.07, residual support = 12.7:
      O   HA    THR   46 - HN    ALA   47   2.44 +/- 0.12  99.849% * 96.2251% (0.57   3.07  12.68) =  99.999%  kept
          HA    GLN   90 - HN    ALA   47   7.94 +/- 1.22   0.102% *  0.3778% (0.34   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   47   9.15 +/- 0.42   0.037% *  0.2762% (0.25   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    ALA   47  11.35 +/- 0.33   0.010% *  0.5827% (0.53   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ALA   47  15.48 +/- 0.10   0.002% *  1.1051% (1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    ALA   47  18.07 +/- 0.52   0.001% *  0.7165% (0.65   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   47  28.84 +/- 0.36   0.000% *  0.7165% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 386 (6.62, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 4.43, residual support = 14.5:
        T HN    TRP   49 - HN    SER   48   2.75 +/- 0.08  87.749% * 99.3483% (0.84   4.44  14.55) =  99.954%  kept
          HN    CYS   50 - HN    SER   48   3.83 +/- 0.06  12.244% *  0.3252% (0.61   0.02   0.02) =   0.046%
          HN    VAL   83 - HN    SER   48  13.49 +/- 0.38   0.007% *  0.1061% (0.20   0.02   0.02) =   0.000%
          HE22  GLN   30 - HN    SER   48  20.14 +/- 0.88   0.001% *  0.2204% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 387 (4.57, 9.44, 119.76 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 2.22, residual support = 6.28:
      O   HA    ALA   47 - HN    SER   48   2.36 +/- 0.01  98.650% * 96.9927% (0.90   2.22   6.28) =  99.992%  kept
          HA    CYS   50 - HN    SER   48   5.56 +/- 0.06   0.572% *  0.7088% (0.73   0.02   0.02) =   0.004%
          HA    TRP   49 - HN    SER   48   5.30 +/- 0.06   0.765% *  0.5135% (0.53   0.02  14.55) =   0.004%
          HA1   GLY  109 - HN    SER   48  10.87 +/- 0.69   0.011% *  0.6705% (0.69   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    SER   48  14.34 +/- 0.70   0.002% *  0.7816% (0.80   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    SER   48  15.93 +/- 0.52   0.001% *  0.3329% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 388 (7.35, 6.63, 116.57 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 4.83, residual support = 84.7:
          HD1   TRP   49 - HN    TRP   49   1.74 +/- 0.09  99.998% * 98.2640% (0.92   4.83  84.72) = 100.000%  kept
          QE    PHE   95 - HN    TRP   49  12.51 +/- 0.36   0.001% *  0.2852% (0.65   0.02   0.02) =   0.000%
          HD2   HIS   22 - HN    TRP   49  14.56 +/- 1.41   0.000% *  0.3531% (0.80   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   49  12.55 +/- 0.69   0.001% *  0.1099% (0.25   0.02   0.02) =   0.000%
          HN    THR   23 - HN    TRP   49  17.14 +/- 0.45   0.000% *  0.3029% (0.69   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   49  23.68 +/- 0.39   0.000% *  0.4322% (0.98   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    TRP   49  18.43 +/- 0.74   0.000% *  0.0873% (0.20   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    TRP   49  29.82 +/- 0.98   0.000% *  0.1655% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 389 (9.45, 6.63, 116.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 4.44, residual support = 14.6:
        T HN    SER   48 - HN    TRP   49   2.75 +/- 0.08 100.000% *100.0000% (0.84   4.44  14.55) = 100.000%  kept
    Distance limit 3.90 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 = 0.971, support = 1.62, residual support = 6.31:
      O   HA    CYS   50 - HN    CYS   50   2.21 +/- 0.01  91.145% * 40.8951% (0.98   1.54   6.72) =  91.666%  kept
      O   HA    TRP   49 - HN    CYS   50   3.50 +/- 0.05   5.880% * 57.4778% (0.87   2.45   1.83) =   8.312%  kept
          HA    ALA   47 - HN    CYS   50   3.92 +/- 0.07   2.966% *  0.3063% (0.57   0.02  11.86) =   0.022%
          HA1   GLY  109 - HN    CYS   50  10.61 +/- 0.39   0.008% *  0.5221% (0.97   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    CYS   50  14.54 +/- 0.49   0.001% *  0.2426% (0.45   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    CYS   50  16.95 +/- 0.34   0.000% *  0.3716% (0.69   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   50  27.12 +/- 0.26   0.000% *  0.1845% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 0.855, support = 4.2, residual support = 74.3:
      O   HA    TRP   49 - HN    TRP   49   2.92 +/- 0.03  77.675% * 46.1583% (0.87   4.40  84.72) =  86.199%  kept
          HA    CYS   50 - HN    TRP   49   4.19 +/- 0.21   9.246% * 31.7861% (0.98   2.68   1.83) =   7.066%  kept
          HA    ALA   47 - HN    TRP   49   3.95 +/- 0.18  13.051% * 21.4655% (0.57   3.14  16.92) =   6.735%  kept
          HA1   GLY  109 - HN    TRP   49  11.36 +/- 0.50   0.023% *  0.2333% (0.97   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    TRP   49  15.26 +/- 0.54   0.004% *  0.1084% (0.45   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    TRP   49  17.59 +/- 0.37   0.002% *  0.1660% (0.69   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    TRP   49  27.89 +/- 0.38   0.000% *  0.0824% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 2.17, residual support = 84.7:
      O   HD1   TRP   49 - HE1   TRP   49   2.64 +/- 0.00  99.983% * 97.1756% (0.92   2.17  84.72) = 100.000%  kept
          QE    PHE   95 - HE1   TRP   49  11.67 +/- 0.55   0.014% *  0.2165% (0.22   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE1   TRP   49  17.00 +/- 1.52   0.002% *  0.9637% (0.99   0.02   0.02) =   0.000%
          HN    THR   23 - HE1   TRP   49  19.04 +/- 0.67   0.001% *  0.2424% (0.25   0.02   0.02) =   0.000%
          HN    LEU   67 - HE1   TRP   49  24.09 +/- 0.45   0.000% *  0.5897% (0.61   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE1   TRP   49  29.86 +/- 1.20   0.000% *  0.8121% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 1.39, residual support = 1.36:
      O   HA    CYS   50 - HN    GLY   51   2.99 +/- 0.02  85.958% * 94.6131% (0.98   1.39   1.36) =  99.798%  kept
          HA    TRP   49 - HN    GLY   51   4.12 +/- 0.09  12.860% *  1.2059% (0.87   0.02   0.02) =   0.190%
          HA    ALA   47 - HN    GLY   51   6.21 +/- 0.29   1.134% *  0.7871% (0.57   0.02   0.02) =   0.011%
          HA1   GLY  109 - HN    GLY   51  10.71 +/- 0.28   0.042% *  1.3416% (0.97   0.02   0.02) =   0.001%
          HA    VAL  108 - HN    GLY   51  14.93 +/- 0.35   0.006% *  0.6233% (0.45   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY   51  19.45 +/- 0.35   0.001% *  0.9549% (0.69   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY   51  28.59 +/- 0.23   0.000% *  0.4742% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 3.22, residual support = 9.36:
      O   HA1   GLY   51 - HN    GLY   51   2.25 +/- 0.01  99.970% * 97.2195% (0.92   3.22   9.36) = 100.000%  kept
          HA    ALA   57 - HN    GLY   51  10.13 +/- 0.15   0.012% *  0.6483% (0.99   0.02   0.02) =   0.000%
          HB    THR   77 - HN    GLY   51   9.98 +/- 0.41   0.014% *  0.1819% (0.28   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    GLY   51  15.03 +/- 0.42   0.001% *  0.4998% (0.76   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLY   51  13.46 +/- 0.15   0.002% *  0.1456% (0.22   0.02   0.02) =   0.000%
          HA    SER   85 - HN    GLY   51  17.37 +/- 0.52   0.000% *  0.1819% (0.28   0.02   0.02) =   0.000%
          HA    SER  117 - HN    GLY   51  23.08 +/- 0.30   0.000% *  0.2019% (0.31   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLY   51  24.82 +/- 0.22   0.000% *  0.2455% (0.38   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLY   51  29.61 +/- 0.23   0.000% *  0.5463% (0.84   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLY   51  36.05 +/- 4.63   0.000% *  0.1294% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 5.44, residual support = 30.5:
        T HN    ARG+  54 - HN    CYS   53   2.66 +/- 0.07  99.991% * 99.1791% (0.98   5.44  30.50) = 100.000%  kept
        T HN    ASP-  62 - HN    CYS   53  12.80 +/- 0.19   0.008% *  0.2699% (0.73   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    CYS   53  23.63 +/- 0.39   0.000% *  0.2405% (0.65   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    CYS   53  29.62 +/- 0.22   0.000% *  0.3105% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 5.44, residual support = 30.5:
        T HN    CYS   53 - HN    ARG+  54   2.66 +/- 0.07  99.990% * 99.1631% (0.85   5.44  30.50) = 100.000%  kept
        T HN    CYS   53 - HN    ASP-  62  12.80 +/- 0.19   0.008% *  0.0682% (0.16   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ARG+  54  19.06 +/- 0.72   0.001% *  0.2790% (0.65   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ARG+  54  24.64 +/- 0.55   0.000% *  0.1386% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ARG+  54  26.94 +/- 0.43   0.000% *  0.2300% (0.54   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ASP-  62  20.79 +/- 0.45   0.000% *  0.0430% (0.10   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ASP-  62  22.26 +/- 0.65   0.000% *  0.0522% (0.12   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ASP-  62  23.63 +/- 0.46   0.000% *  0.0259% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 0.235, support = 0.0188, residual support = 0.0188:
          HN    GLN   17 - HN    ASP-  62  12.42 +/- 0.28  60.901% *  4.3392% (0.10   0.02   0.02) =  41.326%  kept
          HD21  ASN   69 - HN    ASP-  62  14.08 +/- 1.14  30.521% *  5.8573% (0.14   0.02   0.02) =  27.957%  kept
          HN    TRP   87 - HN    ARG+  54  20.26 +/- 0.46   3.245% * 29.7440% (0.69   0.02   0.02) =  15.093%  kept
          HN    GLN   17 - HN    ARG+  54  20.94 +/- 0.34   2.659% * 23.1904% (0.54   0.02   0.02) =   9.641%  kept
          HD21  ASN   69 - HN    ARG+  54  25.01 +/- 0.64   0.908% * 31.3037% (0.72   0.02   0.02) =   4.446%
          HN    TRP   87 - HN    ASP-  62  22.41 +/- 0.33   1.767% *  5.5654% (0.13   0.02   0.02) =   1.538%
    Distance limit 4.09 A violated in 20 structures by 7.37 A, eliminated.
    Peak unassigned.
 
    Peak 400 (7.83, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 3.94, residual support = 16.1:
          HN    PHE   55 - HN    ILE   56   2.24 +/- 0.01  99.905% * 99.1179% (0.95   3.94  16.13) = 100.000%  kept
          HN    ASP-  62 - HN    ILE   56   9.32 +/- 0.11   0.019% *  0.1640% (0.31   0.02   0.02) =   0.000%
          HN    ALA   88 - HZ2   TRP   87   9.04 +/- 0.07   0.023% *  0.0200% (0.04   0.02   4.91) =   0.000%
          HN    LEU   31 - HZ2   TRP   87   7.92 +/- 0.13   0.052% *  0.0087% (0.02   0.02   2.24) =   0.000%
          HN    ALA   88 - HN    ILE   56  19.70 +/- 0.28   0.000% *  0.4610% (0.87   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    ILE   56  24.21 +/- 0.40   0.000% *  0.1995% (0.38   0.02   0.02) =   0.000%
          HN    PHE   55 - HZ2   TRP   87  23.12 +/- 0.38   0.000% *  0.0218% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  62 - HZ2   TRP   87  20.73 +/- 0.35   0.000% *  0.0071% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 401 (7.40, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 4.52, residual support = 25.5:
          HN    ALA   57 - HN    ILE   56   2.48 +/- 0.07  99.971% * 98.8726% (0.87   4.52  25.51) = 100.000%  kept
          HE21  GLN  116 - HN    ILE   56  10.58 +/- 1.68   0.023% *  0.4034% (0.80   0.02   0.02) =   0.000%
          HN    ALA  120 - HN    ILE   56  15.20 +/- 0.13   0.002% *  0.2071% (0.41   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE   56  18.01 +/- 1.21   0.001% *  0.4518% (0.90   0.02   0.02) =   0.000%
          HE21  GLN   90 - HZ2   TRP   87  14.23 +/- 1.46   0.004% *  0.0196% (0.04   0.02   0.02) =   0.000%
          HN    ALA   57 - HZ2   TRP   87  21.76 +/- 0.39   0.000% *  0.0190% (0.04   0.02   0.02) =   0.000%
          HE21  GLN  116 - HZ2   TRP   87  24.73 +/- 0.87   0.000% *  0.0175% (0.03   0.02   0.02) =   0.000%
          HN    ALA  120 - HZ2   TRP   87  22.68 +/- 0.45   0.000% *  0.0090% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 402 (4.41, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 0.154, support = 5.05, residual support = 114.2:
      O   HA    ILE   56 - HN    ILE   56   2.93 +/- 0.00  99.189% * 85.3857% (0.15   5.05 114.22) =  99.984%  kept
          HA    PRO   58 - HN    ILE   56   7.26 +/- 0.07   0.426% *  2.0730% (0.95   0.02   0.16) =   0.010%
          HA    THR   46 - HN    ILE   56   8.02 +/- 0.29   0.241% *  1.7548% (0.80   0.02   0.02) =   0.005%
          HA    GLN   17 - HN    ILE   56  17.22 +/- 0.37   0.002% *  1.5913% (0.73   0.02   0.02) =   0.000%
          HA    VAL   42 - HZ2   TRP   87   9.27 +/- 0.28   0.100% *  0.0188% (0.01   0.02   0.02) =   0.000%
          HA    LEU   40 - HZ2   TRP   87  11.77 +/- 0.28   0.024% *  0.0794% (0.04   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ILE   56  15.94 +/- 0.31   0.004% *  0.4337% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ILE   56  22.50 +/- 0.40   0.000% *  2.1149% (0.97   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ILE   56  22.09 +/- 0.30   0.001% *  1.8305% (0.84   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ILE   56  19.00 +/- 0.43   0.001% *  0.4879% (0.22   0.02   0.02) =   0.000%
          HA    THR   46 - HZ2   TRP   87  15.40 +/- 0.33   0.005% *  0.0762% (0.03   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ILE   56  28.24 +/- 1.88   0.000% *  2.1149% (0.97   0.02   0.02) =   0.000%
          HA    SER   37 - HZ2   TRP   87  16.71 +/- 0.23   0.003% *  0.0691% (0.03   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ILE   56  29.95 +/- 0.53   0.000% *  1.5913% (0.73   0.02   0.02) =   0.000%
          HA    GLU-  15 - HZ2   TRP   87  19.32 +/- 0.89   0.001% *  0.0918% (0.04   0.02   0.02) =   0.000%
          HA    GLN   17 - HZ2   TRP   87  19.52 +/- 0.34   0.001% *  0.0691% (0.03   0.02   0.02) =   0.000%
          HA    PRO   58 - HZ2   TRP   87  23.02 +/- 0.36   0.000% *  0.0900% (0.04   0.02   0.02) =   0.000%
          HA    SER   13 - HZ2   TRP   87  24.58 +/- 2.41   0.000% *  0.0918% (0.04   0.02   0.02) =   0.000%
          HA    ILE   56 - HZ2   TRP   87  20.73 +/- 0.32   0.001% *  0.0147% (0.01   0.02   0.02) =   0.000%
          HA    LEU  123 - HZ2   TRP   87  24.95 +/- 0.47   0.000% *  0.0212% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 4.52, residual support = 25.5:
          HN    ILE   56 - HN    ALA   57   2.48 +/- 0.07  99.934% * 98.3645% (0.98   4.52  25.51) = 100.000%  kept
          HN    LEU   63 - HN    ALA   57   8.99 +/- 0.16   0.045% *  0.4094% (0.92   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    ALA   57  10.21 +/- 0.16   0.021% *  0.3978% (0.90   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA   57  20.21 +/- 0.46   0.000% *  0.3978% (0.90   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   57  21.76 +/- 0.39   0.000% *  0.0777% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   57  28.00 +/- 0.66   0.000% *  0.1369% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   57  31.46 +/- 1.17   0.000% *  0.2159% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 404 (8.20, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.468, support = 3.69, residual support = 15.3:
        T HN    PHE   60 - HN    PHE   59   2.76 +/- 0.07  99.890% * 98.6517% (0.47   3.69  15.33) = 100.000%  kept
          HN    GLN  116 - HN    PHE   59   9.10 +/- 0.53   0.083% *  0.1543% (0.14   0.02   0.02) =   0.000%
        T HN    THR  118 - HN    PHE   59  10.90 +/- 0.30   0.027% *  0.3306% (0.29   0.02   6.03) =   0.000%
        T HN    GLU-  15 - HN    PHE   59  20.90 +/- 0.65   0.001% *  0.8634% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 0.33, support = 4.03, residual support = 47.4:
      O   HA    PHE   59 - HN    PHE   59   2.78 +/- 0.02  63.877% * 66.7190% (0.24   4.86  54.66) =  79.790%  kept
          HA    ILE   56 - HN    PHE   59   3.06 +/- 0.04  36.108% * 29.8946% (0.69   0.75  18.79) =  20.209%  kept
          HA    ASP- 113 - HN    PHE   59  11.99 +/- 0.53   0.010% *  0.7972% (0.69   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    PHE   59  14.04 +/- 0.43   0.004% *  0.7118% (0.62   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   59  21.35 +/- 0.26   0.000% *  0.8810% (0.76   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    PHE   59  19.27 +/- 0.26   0.001% *  0.1759% (0.15   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   59  25.50 +/- 0.39   0.000% *  0.8206% (0.71   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 4.21, residual support = 23.2:
      O   HA    ALA   57 - HN    ALA   57   2.88 +/- 0.01  99.881% * 96.4503% (0.76   4.21  23.20) =  99.999%  kept
          HA1   GLY   51 - HN    ALA   57   9.61 +/- 0.10   0.072% *  0.5874% (0.98   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   57  10.61 +/- 0.36   0.041% *  0.3153% (0.53   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   57  15.49 +/- 0.50   0.004% *  0.3635% (0.61   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   57  20.10 +/- 0.47   0.001% *  0.5940% (0.99   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   57  21.56 +/- 0.30   0.001% *  0.4352% (0.73   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   57  21.58 +/- 0.61   0.001% *  0.3635% (0.61   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   57  24.24 +/- 0.43   0.000% *  0.5993% (1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   57  31.30 +/- 3.88   0.000% *  0.2917% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 407 (4.38, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.991, support = 4.34, residual support = 25.5:
      O   HA    ILE   56 - HN    ALA   57   3.15 +/- 0.03  93.723% * 97.7766% (0.99   4.34  25.51) =  99.989%  kept
          HA    PRO   58 - HN    ALA   57   4.94 +/- 0.03   6.258% *  0.1552% (0.34   0.02  23.97) =   0.011%
          HA    ASP- 113 - HN    ALA   57  13.76 +/- 0.37   0.014% *  0.2576% (0.57   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ALA   57  17.98 +/- 0.44   0.003% *  0.4540% (1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   57  23.49 +/- 0.26   0.001% *  0.4081% (0.90   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   57  21.59 +/- 0.31   0.001% *  0.2215% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA   57  20.83 +/- 0.36   0.001% *  0.1404% (0.31   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   57  27.18 +/- 0.41   0.000% *  0.4460% (0.98   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   57  26.41 +/- 1.84   0.000% *  0.1404% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 408 (8.20, 7.72, 117.18 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.74, residual support = 40.9:
        T HN    PHE   60 - HN    ALA   61   2.74 +/- 0.09  99.977% * 98.9457% (0.61   4.74  40.87) = 100.000%  kept
        T HN    THR  118 - HN    ALA   61  13.13 +/- 0.24   0.008% *  0.2585% (0.38   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    ALA   61  12.39 +/- 0.44   0.012% *  0.1206% (0.18   0.02   0.02) =   0.000%
        T HN    GLU-  15 - HN    ALA   61  16.80 +/- 0.68   0.002% *  0.6751% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.556, support = 4.67, residual support = 38.3:
          QD    PHE   60 - HN    ALA   61   2.87 +/- 0.58  87.028% * 66.2234% (0.57   4.77  40.87) =  93.614%  kept
          HN    PHE   59 - HN    ALA   61   4.28 +/- 0.12  11.980% * 32.7802% (0.41   3.25   0.21) =   6.379%  kept
          QE    PHE   59 - HN    ALA   61   6.95 +/- 0.32   0.596% *  0.3930% (0.80   0.02   0.21) =   0.004%
          HN    LYS+  66 - HN    ALA   61   7.45 +/- 0.08   0.395% *  0.4811% (0.98   0.02   0.02) =   0.003%
          HN    LYS+  81 - HN    ALA   61  21.66 +/- 0.36   0.001% *  0.1224% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 410 (4.40, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 0.75, residual support = 0.746:
          HA    PRO   58 - HN    ALA   61   3.60 +/- 0.13  96.340% * 86.4895% (0.97   0.75   0.75) =  99.956%  kept
          HA    ILE   56 - HN    ALA   61   6.36 +/- 0.12   3.198% *  0.9826% (0.41   0.02   0.02) =   0.038%
          HA    GLN   17 - HN    ALA   61   9.88 +/- 0.32   0.236% *  0.8970% (0.38   0.02   0.02) =   0.003%
          HA    THR   46 - HN    ALA   61  10.43 +/- 0.37   0.169% *  1.0715% (0.45   0.02   0.02) =   0.002%
          HA    GLU-  15 - HN    ALA   61  15.39 +/- 0.39   0.016% *  2.2609% (0.95   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ALA   61  14.52 +/- 0.47   0.023% *  1.2575% (0.53   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   61  17.19 +/- 0.29   0.008% *  2.3901% (1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   61  21.12 +/- 1.68   0.003% *  2.2609% (0.95   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   61  19.47 +/- 0.30   0.004% *  0.5960% (0.25   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   61  22.98 +/- 0.45   0.001% *  0.8970% (0.38   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   61  24.01 +/- 0.68   0.001% *  0.8970% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 411 (4.28, 7.72, 117.18 ppm):
    12 chemical-shift based assignments, quality = 0.411, support = 2.0, residual support = 2.0:
          HA    ALA   57 - HN    ALA   61   3.92 +/- 0.16  99.217% * 84.4485% (0.41   2.00   2.00) =  99.984%  kept
          HA    ASP-  44 - HN    ALA   61   9.03 +/- 0.27   0.691% *  1.7838% (0.87   0.02   0.02) =   0.015%
          HA1   GLY   51 - HN    ALA   61  14.63 +/- 0.15   0.037% *  1.4933% (0.73   0.02   0.02) =   0.001%
          HB    THR   77 - HN    ALA   61  17.17 +/- 0.33   0.014% *  1.8984% (0.92   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   61  18.96 +/- 0.26   0.008% *  2.0157% (0.98   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   61  19.26 +/- 0.49   0.008% *  1.7177% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   61  20.34 +/- 0.35   0.005% *  1.8443% (0.90   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   61  22.34 +/- 0.43   0.003% *  1.8984% (0.92   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   61  26.14 +/- 3.49   0.003% *  1.7177% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ALA   61  18.44 +/- 0.70   0.010% *  0.3173% (0.15   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   61  23.42 +/- 2.16   0.003% *  0.4578% (0.22   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   61  24.20 +/- 0.29   0.002% *  0.4070% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 412 (7.86, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.74, residual support = 41.7:
        T HN    ASP-  62 - HN    LEU   63   2.45 +/- 0.06  99.990% * 99.0393% (0.98   5.74  41.72) = 100.000%  kept
          HN    ARG+  54 - HN    LEU   63  13.47 +/- 0.16   0.004% *  0.3247% (0.92   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LEU   63  12.43 +/- 0.15   0.006% *  0.1320% (0.38   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LEU   63  19.71 +/- 0.41   0.000% *  0.3328% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LEU   63  21.03 +/- 0.48   0.000% *  0.1712% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 6.88, residual support = 55.1:
        T HN    ALA   64 - HN    LEU   63   2.68 +/- 0.13 100.000% *100.0000% (0.97   6.88  55.11) = 100.000%  kept
    Distance limit 3.55 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 = 4.75, residual support = 28.0:
        T HN    LYS+  65 - HN    ALA   64   2.64 +/- 0.13 100.000% *100.0000% (0.97   4.75  28.02) = 100.000%  kept
    Distance limit 3.75 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 = 6.88, residual support = 55.1:
          HN    LEU   63 - HN    ALA   64   2.68 +/- 0.13  99.980% * 99.0134% (0.99   6.88  55.11) = 100.000%  kept
          HN    ILE   56 - HN    ALA   64  11.90 +/- 0.23   0.014% *  0.2746% (0.95   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    ALA   64  14.55 +/- 0.36   0.004% *  0.1760% (0.61   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   64  17.76 +/- 0.35   0.001% *  0.1193% (0.41   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA   64  20.05 +/- 0.39   0.001% *  0.1760% (0.61   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   64  23.67 +/- 0.49   0.000% *  0.1760% (0.61   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   64  24.43 +/- 0.90   0.000% *  0.0646% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 4.75, residual support = 28.0:
        T HN    ALA   64 - HN    LYS+  65   2.64 +/- 0.13 100.000% *100.0000% (0.67   4.75  28.02) = 100.000%  kept
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 417 (7.27, 6.90, 114.80 ppm):
    5 chemical-shift based assignments, quality = 0.677, support = 6.2, residual support = 26.3:
          HN    LYS+  66 - HN    LYS+  65   2.43 +/- 0.10  99.509% * 99.3371% (0.68   6.20  26.31) =  99.999%  kept
          QD    PHE   60 - HN    LYS+  65   6.15 +/- 0.21   0.396% *  0.1851% (0.39   0.02   0.02) =   0.001%
          QE    PHE   59 - HN    LYS+  65   8.52 +/- 0.20   0.055% *  0.2618% (0.55   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LYS+  65   8.94 +/- 0.13   0.041% *  0.1344% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    LYS+  65  24.45 +/- 0.40   0.000% *  0.0815% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 418 (4.22, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.667, support = 1.01, residual support = 3.71:
          HA    ASP-  62 - HN    LYS+  65   3.39 +/- 0.14  99.989% * 96.2646% (0.67   1.01   3.71) = 100.000%  kept
          HA    SER  117 - HN    LYS+  65  16.47 +/- 0.41   0.008% *  1.4333% (0.50   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LYS+  65  20.15 +/- 0.68   0.002% *  1.9564% (0.68   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LYS+  65  27.19 +/- 0.42   0.000% *  0.3457% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 419 (6.91, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.2, residual support = 26.3:
        T HN    LYS+  65 - HN    LYS+  66   2.43 +/- 0.10 100.000% *100.0000% (0.97   6.20  26.31) = 100.000%  kept
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 420 (4.08, 7.27, 117.25 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.07, residual support = 111.7:
      O   HA    LYS+  66 - HN    LYS+  66   2.88 +/- 0.02  99.999% * 99.7592% (0.97   5.07 111.66) = 100.000%  kept
          HA    GLU-  36 - HN    LYS+  66  22.99 +/- 0.54   0.000% *  0.1391% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  66  25.38 +/- 0.34   0.000% *  0.1017% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.0747, support = 0.0196, residual support = 43.4:
          HD22  ASN   28 - HE3   TRP   27   9.18 +/- 0.34  99.749% * 11.1670% (0.08   0.02  44.31) =  98.039%  kept
          HD22  ASN   28 - HN    LEU   67  24.93 +/- 0.48   0.251% * 88.8330% (0.61   0.02   0.02) =   1.961%
    Distance limit 4.69 A violated in 20 structures by 4.49 A, eliminated.
    Peak unassigned.
 
    Peak 422 (4.99, 7.34, 119.88 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.08, residual support = 61.0:
      O   HA    LEU   67 - HN    LEU   67   2.94 +/- 0.01  99.940% * 99.8761% (1.00   6.08  60.98) = 100.000%  kept
          HA    ASP-  76 - HE3   TRP   27  10.41 +/- 0.76   0.056% *  0.0092% (0.03   0.02   0.02) =   0.000%
          HA    LEU   67 - HE3   TRP   27  17.02 +/- 0.40   0.003% *  0.0413% (0.13   0.02   0.02) =   0.000%
          HA    ASP-  76 - HN    LEU   67  18.97 +/- 0.30   0.001% *  0.0733% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 4.48, residual support = 10.5:
      O   HA    LYS+  66 - HN    LEU   67   3.43 +/- 0.05  99.920% * 99.6379% (0.97   4.48  10.47) = 100.000%  kept
          HA    LYS+  81 - HE3   TRP   27  11.86 +/- 0.65   0.063% *  0.0144% (0.03   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   67  20.71 +/- 0.56   0.002% *  0.1572% (0.34   0.02   0.02) =   0.000%
          HA    GLU-  36 - HE3   TRP   27  15.43 +/- 0.51   0.012% *  0.0198% (0.04   0.02   0.02) =   0.000%
          HA    LYS+  66 - HE3   TRP   27  19.86 +/- 0.31   0.003% *  0.0559% (0.12   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU   67  25.03 +/- 0.35   0.001% *  0.1149% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 28.0:
        T HN    VAL   70 - HN    ASN   69   2.16 +/- 0.20  99.999% * 99.8334% (0.87   4.26  28.01) = 100.000%  kept
          HN    LYS+  33 - HN    ASN   69  15.90 +/- 0.39   0.001% *  0.1666% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 425 (4.69, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.55, residual support = 61.5:
      O   HA    ASN   69 - HN    ASN   69   2.88 +/- 0.02  99.988% * 99.3652% (0.76   5.55  61.48) = 100.000%  kept
          HA    VAL   43 - HN    ASN   69  13.09 +/- 0.39   0.012% *  0.2282% (0.49   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASN   69  21.82 +/- 0.29   0.001% *  0.4066% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 426 (6.65, 7.68, 113.30 ppm):
    3 chemical-shift based assignments, quality = 0.518, support = 3.25, residual support = 61.5:
      O T HD22  ASN   69 - HD21  ASN   69   1.73 +/- 0.00 100.000% * 99.4499% (0.52   3.25  61.48) = 100.000%  kept
          HE22  GLN   30 - HD21  ASN   69  13.93 +/- 1.49   0.000% *  0.4024% (0.34   0.02   0.02) =   0.000%
          HN    TRP   49 - HD21  ASN   69  28.90 +/- 0.56   0.000% *  0.1477% (0.12   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (7.69, 6.66, 113.30 ppm):
    4 chemical-shift based assignments, quality = 0.518, support = 3.25, residual support = 61.5:
      O   HD21  ASN   69 - HD22  ASN   69   1.73 +/- 0.00  99.998% * 98.5198% (0.52   3.25  61.48) = 100.000%  kept
          HN    GLN   17 - HD22  ASN   69  10.61 +/- 0.50   0.002% *  0.6557% (0.56   0.02   0.02) =   0.000%
          HE3   TRP   87 - HD22  ASN   69  20.74 +/- 1.52   0.000% *  0.2028% (0.17   0.02   0.02) =   0.000%
          HN    TRP   87 - HD22  ASN   69  25.02 +/- 1.48   0.000% *  0.6217% (0.53   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 428 (6.97, 7.98, 124.64 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 1.5, residual support = 43.5:
          QE    PHE   72 - HN    VAL   70   4.28 +/- 0.33  99.994% * 97.1675% (0.45   1.50  43.50) = 100.000%  kept
          HD22  ASN   28 - HN    VAL   70  22.14 +/- 0.38   0.006% *  2.8325% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 429 (8.81, 7.98, 124.64 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.26, residual support = 28.0:
        T HN    ASN   69 - HN    VAL   70   2.16 +/- 0.20  99.996% * 99.1971% (0.76   4.26  28.01) = 100.000%  kept
          HN    ASP-  44 - HN    VAL   70  12.23 +/- 0.22   0.003% *  0.1205% (0.20   0.02   0.02) =   0.000%
          HN    ASN   28 - HN    VAL   70  18.67 +/- 0.27   0.000% *  0.5758% (0.95   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    VAL   70  22.27 +/- 0.32   0.000% *  0.1066% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 430 (4.69, 7.99, 124.64 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.73, residual support = 28.0:
      O   HA    ASN   69 - HN    VAL   70   3.50 +/- 0.11  99.899% * 99.0420% (0.87   3.73  28.01) = 100.000%  kept
          HA    VAL   43 - HN    VAL   70  11.15 +/- 0.35   0.099% *  0.3947% (0.65   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    VAL   70  20.09 +/- 0.24   0.003% *  0.5633% (0.93   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 431 (4.03, 7.98, 124.64 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 4.21, residual support = 83.6:
      O   HA    VAL   70 - HN    VAL   70   2.90 +/- 0.02  98.455% * 97.8278% (0.72   4.21  83.61) =  99.994%  kept
          HA1   GLY   16 - HN    VAL   70   6.19 +/- 0.71   1.320% *  0.3884% (0.60   0.02   0.02) =   0.005%
          HB2   SER   37 - HN    VAL   70  10.55 +/- 0.66   0.047% *  0.5911% (0.91   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    VAL   70   8.45 +/- 0.34   0.167% *  0.1597% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   70  14.13 +/- 0.41   0.007% *  0.2633% (0.41   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   70  17.74 +/- 0.35   0.002% *  0.4650% (0.72   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   70  18.12 +/- 0.41   0.002% *  0.1780% (0.28   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   70  26.35 +/- 0.80   0.000% *  0.1267% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 5.66, residual support = 126.7:
      O   HA    LEU   71 - HN    LEU   71   2.90 +/- 0.01  99.841% * 99.7891% (1.00   5.66 126.69) = 100.000%  kept
          HA    VAL   43 - HN    LEU   71   8.67 +/- 0.25   0.143% *  0.0785% (0.22   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LEU   71  12.39 +/- 0.22   0.017% *  0.1323% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 433 (4.01, 8.15, 128.27 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.88, residual support = 31.5:
      O   HA    VAL   70 - HN    LEU   71   2.23 +/- 0.01  99.797% * 98.0629% (1.00   4.88  31.50) = 100.000%  kept
          HA    VAL   18 - HN    LEU   71   7.39 +/- 0.27   0.078% *  0.2760% (0.69   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   71   7.70 +/- 0.61   0.068% *  0.1956% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   71  10.20 +/- 0.37   0.011% *  0.3485% (0.87   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LEU   71   8.27 +/- 0.66   0.044% *  0.0795% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   71  13.70 +/- 0.29   0.002% *  0.2918% (0.73   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   71  19.61 +/- 0.32   0.000% *  0.4018% (1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LEU   71  22.41 +/- 0.86   0.000% *  0.2437% (0.61   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   71  23.27 +/- 0.22   0.000% *  0.1002% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 0.996, support = 0.02, residual support = 0.02:
          HA    VAL   41 - HN    LEU   71   4.17 +/- 0.32  99.806% * 41.5880% (1.00   0.02   0.02) =  99.852%  kept
          HA    HIS  122 - HN    LEU   71  12.74 +/- 0.45   0.140% * 34.8145% (0.84   0.02   0.02) =   0.117%
          HA    PHE   45 - HN    LEU   71  14.77 +/- 0.18   0.054% * 23.5976% (0.57   0.02   0.02) =   0.031%
    Distance limit 4.22 A violated in 9 structures by 0.09 A, eliminated.
    Peak unassigned.
 
    Peak 435 (8.93, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.605, support = 0.984, residual support = 0.939:
          HN    VAL   42 - HN    LEU   71   4.48 +/- 0.17  89.211% * 94.9666% (0.61   0.99   0.94) =  99.698%  kept
          HN    LEU   73 - HN    LEU   71   6.93 +/- 0.12   6.673% *  1.9240% (0.61   0.02   0.02) =   0.151%
          HN    ILE   19 - HN    LEU   71   7.53 +/- 0.25   4.116% *  3.1094% (0.98   0.02   0.02) =   0.151%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 436 (6.67, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 5.46, residual support = 81.5:
          QD    PHE   72 - HN    PHE   72   2.63 +/- 0.13  99.942% * 98.8914% (0.45   5.46  81.46) = 100.000%  kept
          HD22  ASN   69 - HN    PHE   72   9.74 +/- 0.61   0.044% *  0.5863% (0.73   0.02   0.02) =   0.000%
          QE    PHE   45 - HN    PHE   72  11.53 +/- 0.19   0.015% *  0.5223% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 437 (5.26, 9.36, 127.59 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.81, residual support = 81.5:
      O   HA    PHE   72 - HN    PHE   72   2.91 +/- 0.01 100.000% *100.0000% (0.53   4.81  81.46) = 100.000%  kept
    Distance limit 4.41 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 = 5.27, residual support = 19.3:
      O   HA    LEU   71 - HN    PHE   72   2.18 +/- 0.01  99.860% * 99.7737% (1.00   5.27  19.33) = 100.000%  kept
          HA    VAL   43 - HN    PHE   72   6.78 +/- 0.30   0.115% *  0.0843% (0.22   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    PHE   72   8.71 +/- 0.23   0.025% *  0.1420% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.434, support = 0.02, residual support = 0.02:
          HA    PHE   45 - HN    PHE   72  12.06 +/- 0.23  70.178% *  7.2068% (0.18   0.02   0.02) =  44.763%  kept
          HA    THR   23 - HN    PHE   72  16.37 +/- 0.21  11.241% * 29.8815% (0.73   0.02   0.02) =  29.729%  kept
          HA    ASP-  78 - HN    PHE   72  20.59 +/- 0.19   2.833% * 39.7133% (0.97   0.02   0.02) =   9.957%  kept
          HA    LEU   80 - HN    PHE   72  18.01 +/- 0.73   6.446% * 14.0368% (0.34   0.02   0.02) =   8.008%  kept
          HB    THR   23 - HN    PHE   72  16.91 +/- 0.25   9.302% *  9.1616% (0.22   0.02   0.02) =   7.543%  kept
    Distance limit 4.64 A violated in 20 structures by 6.73 A, eliminated.
    Peak unassigned.
 
    Peak 440 (7.61, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.463, support = 0.019, residual support = 0.202:
          QE    PHE   60 - HN    LEU   73   5.07 +/- 0.48  96.781% * 15.3170% (0.49   0.02   0.21) =  95.127%  kept
          HZ2   TRP   87 - HN    LEU   73  10.29 +/- 0.42   1.737% * 31.1892% (0.99   0.02   0.02) =   3.477%
          HN    LEU   63 - HN    LEU   73  10.76 +/- 0.29   1.190% * 12.9368% (0.41   0.02   0.02) =   0.988%
          HD21  ASN   28 - HN    LEU   73  15.01 +/- 0.45   0.167% * 30.8446% (0.98   0.02   0.12) =   0.331%
          HN    ILE   56 - HN    LEU   73  15.60 +/- 0.30   0.126% *  9.7124% (0.31   0.02   0.02) =   0.078%
    Distance limit 4.80 A violated in 12 structures by 0.36 A, eliminated.
    Peak unassigned.
 
    Peak 441 (5.57, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 6.69, residual support = 163.4:
      O   HA    LEU   73 - HN    LEU   73   2.93 +/- 0.01 100.000% *100.0000% (0.95   6.69 163.42) = 100.000%  kept
    Distance limit 4.03 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 = 4.51, residual support = 27.4:
      O   HA    PHE   72 - HN    LEU   73   2.25 +/- 0.03 100.000% *100.0000% (0.53   4.51  27.39) = 100.000%  kept
    Distance limit 3.21 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 = 0.526, support = 4.13, residual support = 9.57:
          HA    VAL   43 - HN    LEU   73   2.63 +/- 0.25  98.932% * 98.6876% (0.53   4.14   9.57) =  99.994%  kept
          HA    LEU   71 - HN    LEU   73   6.12 +/- 0.07   0.737% *  0.7578% (0.84   0.02   0.02) =   0.006%
          HA    ALA   20 - HN    LEU   73   7.18 +/- 0.17   0.297% *  0.1228% (0.14   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    LEU   73  11.01 +/- 0.34   0.022% *  0.1795% (0.20   0.02   0.02) =   0.000%
          HA    ASN   69 - HN    LEU   73  12.11 +/- 0.12   0.012% *  0.2522% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 444 (7.90, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.124, support = 2.79, residual support = 7.9:
        T HN    CYS   21 - HN    LYS+  74   2.54 +/- 0.23  99.993% * 90.6026% (0.12   2.79   7.90) = 100.000%  kept
          HN    ILE   89 - HN    LYS+  74  14.43 +/- 0.37   0.003% *  2.9678% (0.57   0.02   0.02) =   0.000%
          HN    SER   37 - HN    LYS+  74  16.13 +/- 0.38   0.002% *  3.5061% (0.67   0.02   0.02) =   0.000%
        T HN    ILE  119 - HN    LYS+  74  19.53 +/- 0.37   0.001% *  2.0984% (0.40   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LYS+  74  17.19 +/- 0.29   0.001% *  0.8252% (0.16   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 445 (8.94, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.597, support = 5.35, residual support = 30.2:
          HN    LEU   73 - HN    LYS+  74   4.51 +/- 0.03  43.517% * 64.8061% (0.64   6.29  45.28) =  59.212%  kept
        T HN    ILE   19 - HN    LYS+  74   4.33 +/- 0.13  55.591% * 34.9426% (0.54   3.98   8.34) =  40.784%  kept
          HN    VAL   42 - HN    LYS+  74   8.69 +/- 0.34   0.878% *  0.2059% (0.64   0.02   0.02) =   0.004%
          HN    LYS+ 106 - HN    LYS+  74  17.40 +/- 0.37   0.013% *  0.0454% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.60 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 = 5.93, residual support = 45.3:
      O   HA    LEU   73 - HN    LYS+  74   2.33 +/- 0.09 100.000% *100.0000% (0.68   5.93  45.28) = 100.000%  kept
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (4.90, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.197, support = 6.06, residual support = 176.0:
      O   HA    LYS+  74 - HN    LYS+  74   2.93 +/- 0.00  99.921% * 98.1464% (0.20   6.06 176.04) = 100.000%  kept
          HA    VAL   41 - HN    LYS+  74   9.80 +/- 0.37   0.074% *  0.2305% (0.14   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LYS+  74  15.89 +/- 0.58   0.004% *  1.0103% (0.61   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    LYS+  74  19.19 +/- 0.50   0.001% *  0.6128% (0.37   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 448 (4.63, 8.48, 121.30 ppm):
    2 chemical-shift based assignments, quality = 0.684, support = 3.69, residual support = 8.15:
          HA    ALA   20 - HN    LYS+  74   2.92 +/- 0.16  99.854% * 99.7056% (0.68   3.69   8.15) = 100.000%  kept
          HA    LEU   71 - HN    LYS+  74   8.79 +/- 0.22   0.146% *  0.2944% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 449 (4.91, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 5.87, residual support = 27.4:
      O   HA    LYS+  74 - HN    VAL   75   2.18 +/- 0.00  99.995% * 99.3190% (0.61   5.87  27.40) = 100.000%  kept
          HA    MET   92 - HN    VAL   75  11.71 +/- 0.60   0.005% *  0.5568% (1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    VAL   75  19.29 +/- 0.45   0.000% *  0.1242% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 3.73, residual support = 36.2:
      O   HA    ASP-  76 - HN    ASP-  76   2.89 +/- 0.02  99.999% * 97.6529% (0.22   3.73  36.18) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  76  20.79 +/- 0.30   0.001% *  2.3471% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 451 (4.50, 9.14, 128.89 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 3.97, residual support = 15.3:
      O   HA    VAL  107 - HN    VAL  108   2.25 +/- 0.04  99.831% * 97.9765% (0.65   3.97  15.35) = 100.000%  kept
          HA    LYS+ 111 - HN    VAL  108   6.64 +/- 0.35   0.163% *  0.1511% (0.20   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  108  12.43 +/- 0.78   0.004% *  0.6113% (0.80   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  108  13.84 +/- 0.25   0.002% *  0.5244% (0.69   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  108  20.61 +/- 0.72   0.000% *  0.7368% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 452 (8.52, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.6, residual support = 29.2:
        T HN    ASP-  78 - HN    THR   77   2.78 +/- 0.02  99.203% * 99.7162% (0.98   5.60  29.16) =  99.998%  kept
          HN    VAL   75 - HN    THR   77   6.23 +/- 0.10   0.795% *  0.2202% (0.61   0.02   0.34) =   0.002%
          HN    LYS+ 112 - HN    THR   77  17.61 +/- 0.38   0.002% *  0.0636% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 5.6, residual support = 29.2:
        T HN    THR   77 - HN    ASP-  78   2.78 +/- 0.02 100.000% *100.0000% (1.00   5.60  29.16) = 100.000%  kept
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 454 (8.02, 8.52, 119.25 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.76, residual support = 15.5:
        T HN    GLU-  79 - HN    ASP-  78   2.45 +/- 0.07  99.978% * 99.5532% (0.99   3.76  15.46) = 100.000%  kept
          HN    THR   94 - HN    ASP-  78  10.00 +/- 0.32   0.022% *  0.4468% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 455 (8.53, 8.02, 121.50 ppm):
    2 chemical-shift based assignments, quality = 0.563, support = 3.76, residual support = 15.5:
        T HN    ASP-  78 - HN    GLU-  79   2.45 +/- 0.07  99.916% * 99.4702% (0.56   3.76  15.46) = 100.000%  kept
          HN    VAL   75 - HN    GLU-  79   7.99 +/- 0.15   0.084% *  0.5298% (0.56   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 458 (4.27, 8.02, 121.50 ppm):
    9 chemical-shift based assignments, quality = 0.604, support = 4.23, residual support = 54.2:
      O   HA    GLU-  79 - HN    GLU-  79   2.89 +/- 0.03  98.098% * 97.3532% (0.60   4.23  54.15) =  99.994%  kept
          HB    THR   77 - HN    GLU-  79   5.64 +/- 0.20   1.830% *  0.2818% (0.37   0.02   0.02) =   0.005%
          HA    SER   85 - HN    GLU-  79  10.43 +/- 0.27   0.045% *  0.2818% (0.37   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLU-  79  12.31 +/- 0.20   0.017% *  0.2445% (0.32   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    GLU-  79  14.76 +/- 0.39   0.006% *  0.4554% (0.60   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    GLU-  79  15.61 +/- 0.34   0.004% *  0.3551% (0.47   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLU-  79  20.98 +/- 0.34   0.001% *  0.3374% (0.44   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLU-  79  24.92 +/- 0.25   0.000% *  0.4646% (0.61   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLU-  79  31.21 +/- 4.69   0.000% *  0.2262% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 459 (4.86, 8.02, 121.50 ppm):
    4 chemical-shift based assignments, quality = 0.0825, support = 3.67, residual support = 15.5:
      O   HA    ASP-  78 - HN    GLU-  79   3.57 +/- 0.06  99.124% * 93.5394% (0.08   3.67  15.46) =  99.965%  kept
          HA    PHE   45 - HN    GLU-  79   7.86 +/- 0.20   0.870% *  3.7334% (0.60   0.02   0.02) =   0.035%
          HA    VAL   41 - HN    GLU-  79  18.36 +/- 0.22   0.005% *  1.9818% (0.32   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    GLU-  79  26.99 +/- 0.42   0.001% *  0.7454% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.90 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 = 11.8:
      O   HA    ASP-  76 - HN    THR   77   2.26 +/- 0.01 100.000% * 99.2768% (0.53   4.53  11.75) = 100.000%  kept
          HA    LEU   67 - HN    THR   77  22.16 +/- 0.30   0.000% *  0.7232% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 0.563, support = 0.236, residual support = 0.235:
          HA    ALA   47 - HN    THR   77   3.86 +/- 0.43  96.679% * 61.0186% (0.57   0.24   0.24) =  99.526%  kept
          HA    CYS   50 - HN    THR   77   7.34 +/- 0.26   2.226% *  8.9086% (0.98   0.02   0.02) =   0.335%
          HA    TRP   49 - HN    THR   77   9.32 +/- 0.27   0.577% *  7.8837% (0.87   0.02   0.02) =   0.077%
          HA1   GLY  109 - HN    THR   77  10.51 +/- 0.38   0.263% *  8.7711% (0.97   0.02   0.02) =   0.039%
          HA    CYS   21 - HN    THR   77  11.57 +/- 0.28   0.171% *  6.2430% (0.69   0.02   0.02) =   0.018%
          HA    VAL  108 - HN    THR   77  12.85 +/- 0.67   0.081% *  4.0747% (0.45   0.02   0.02) =   0.006%
          HA    LYS+ 102 - HN    THR   77  21.93 +/- 0.30   0.003% *  3.1002% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 2 structures by 0.02 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 462 (4.45, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.558, support = 0.0199, residual support = 2.75:
          HA    GLN   90 - HN    THR   77   5.27 +/- 1.32  47.048% * 17.8206% (0.69   0.02   0.02) =  70.780%  kept
          HA    THR   46 - HN    THR   77   4.93 +/- 0.26  52.614% *  6.4690% (0.25   0.02   9.54) =  28.733%  kept
          HA    ALA  110 - HN    THR   77  12.43 +/- 0.36   0.197% * 14.6879% (0.57   0.02   0.02) =   0.245%
          HA    VAL   42 - HN    THR   77  14.46 +/- 0.13   0.079% * 22.5039% (0.87   0.02   0.02) =   0.150%
          HA    PHE   55 - HN    THR   77  16.14 +/- 0.43   0.041% * 22.5039% (0.87   0.02   0.02) =   0.078%
          HA    GLN   17 - HN    THR   77  18.30 +/- 0.36   0.019% *  8.0073% (0.31   0.02   0.02) =   0.013%
          HA    SER   37 - HN    THR   77  26.51 +/- 0.34   0.002% *  8.0073% (0.31   0.02   0.02) =   0.001%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 463 (4.29, 9.27, 119.07 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.01, residual support = 37.7:
      O   HB    THR   77 - HN    THR   77   3.48 +/- 0.01  97.962% * 95.9441% (0.76   4.01  37.69) =  99.994%  kept
          HA    GLU-  79 - HN    THR   77   7.06 +/- 0.10   1.425% *  0.1742% (0.28   0.02   0.02) =   0.003%
          HA    ASP-  44 - HN    THR   77   9.01 +/- 0.11   0.329% *  0.5235% (0.84   0.02   0.02) =   0.002%
          HA    SER   85 - HN    THR   77  10.08 +/- 0.53   0.178% *  0.4789% (0.76   0.02   0.02) =   0.001%
          HA    ASP-  86 - HN    THR   77  13.53 +/- 0.50   0.030% *  0.5018% (0.80   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   77  11.74 +/- 0.34   0.068% *  0.0967% (0.15   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    THR   77  18.85 +/- 0.25   0.004% *  0.4054% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    THR   77  23.67 +/- 1.10   0.001% *  0.4551% (0.73   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    THR   77  22.10 +/- 0.23   0.002% *  0.2138% (0.34   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   77  31.50 +/- 4.49   0.001% *  0.5436% (0.87   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    THR   77  28.86 +/- 2.59   0.000% *  0.5235% (0.84   0.02   0.02) =   0.000%
          HA    THR   39 - HN    THR   77  23.62 +/- 0.22   0.001% *  0.1395% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 465 (8.07, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 4.93, residual support = 30.7:
        T HN    LEU   80 - HN    LYS+  81   3.28 +/- 0.38  95.649% * 98.4802% (0.65   4.93  30.70) =  99.987%  kept
          HN    SER   85 - HN    LYS+  81   5.69 +/- 0.10   4.338% *  0.2771% (0.45   0.02   0.02) =   0.013%
          HN    GLN   32 - HN    LYS+  81  17.56 +/- 0.50   0.005% *  0.5162% (0.84   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    LYS+  81  17.39 +/- 0.42   0.006% *  0.2541% (0.41   0.02   0.02) =   0.000%
        T HN    ALA   34 - HN    LYS+  81  19.96 +/- 0.39   0.002% *  0.4723% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 466 (8.64, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.11, residual support = 12.7:
        T HN    SER   82 - HN    LYS+  81   2.68 +/- 0.09  99.942% * 99.3082% (1.00   4.11  12.72) = 100.000%  kept
          HN    GLN   90 - HN    LYS+  81   9.64 +/- 1.10   0.058% *  0.1812% (0.38   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    LYS+  81  24.73 +/- 0.54   0.000% *  0.2540% (0.53   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    LYS+  81  21.64 +/- 0.67   0.000% *  0.1075% (0.22   0.02   0.02) =   0.000%
          HN    SER  117 - HN    LYS+  81  27.97 +/- 0.39   0.000% *  0.1490% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 467 (4.82, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.4, residual support = 30.7:
      O   HA    LEU   80 - HN    LYS+  81   2.73 +/- 0.18  98.428% * 98.5500% (0.69   5.40  30.70) =  99.992%  kept
          HA    ASP-  78 - HN    LYS+  81   5.93 +/- 0.36   0.974% *  0.5024% (0.95   0.02   0.71) =   0.005%
          HA    THR   23 - HN    LYS+  81   6.81 +/- 0.41   0.515% *  0.5206% (0.98   0.02   0.02) =   0.003%
          HB    THR   23 - HN    LYS+  81   9.19 +/- 0.48   0.083% *  0.2794% (0.53   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LYS+  81  23.33 +/- 0.43   0.000% *  0.1477% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 5.28, residual support = 101.1:
      O   HA    LYS+  81 - HN    LYS+  81   2.78 +/- 0.03  99.992% * 98.8942% (0.99   5.28 101.13) = 100.000%  kept
          HA    ASN   28 - HN    LYS+  81  13.77 +/- 0.53   0.007% *  0.0841% (0.22   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LYS+  81  21.12 +/- 0.54   0.001% *  0.2742% (0.73   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LYS+  81  25.86 +/- 0.49   0.000% *  0.3573% (0.95   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  81  23.73 +/- 0.39   0.000% *  0.0747% (0.20   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  81  35.55 +/- 0.76   0.000% *  0.3155% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 3.92, residual support = 33.5:
      O   HA    SER   82 - HN    SER   82   2.75 +/- 0.01  99.969% * 93.7480% (0.25   3.92  33.46) = 100.000%  kept
          HA    GLU-  25 - HN    SER   82  11.27 +/- 0.71   0.023% *  1.5372% (0.80   0.02   0.02) =   0.000%
          HA    THR   26 - HN    SER   82  13.79 +/- 0.70   0.007% *  0.7205% (0.38   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    SER   82  18.55 +/- 0.64   0.001% *  1.8527% (0.97   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    SER   82  19.86 +/- 0.41   0.001% *  1.8818% (0.98   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    SER   82  26.56 +/- 0.37   0.000% *  0.2598% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 0.196, support = 0.0198, residual support = 0.0198:
          HB    THR   23 - HN    SER   82   9.33 +/- 0.81  99.524% * 32.4951% (0.20   0.02   0.02) =  99.016%  kept
          HA    ASP- 105 - HN    SER   82  23.08 +/- 0.42   0.476% * 67.5049% (0.41   0.02   0.02) =   0.984%
    Distance limit 4.52 A violated in 20 structures by 4.81 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 = 21.1:
        T HN    VAL   83 - HN    SER   82   2.75 +/- 0.03  99.998% * 99.7424% (1.00   5.62  21.06) = 100.000%  kept
          HN    CYS   50 - HN    SER   82  16.20 +/- 0.34   0.002% *  0.2576% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 4.11, residual support = 12.7:
          HN    LYS+  81 - HN    SER   82   2.68 +/- 0.09  99.983% * 99.2710% (1.00   4.11  12.72) = 100.000%  kept
          HE3   TRP   27 - HN    SER   82  11.77 +/- 0.73   0.016% *  0.1077% (0.22   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    SER   82  17.87 +/- 0.40   0.001% *  0.3873% (0.80   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    SER   82  23.71 +/- 0.46   0.000% *  0.0847% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    SER   82  27.22 +/- 0.49   0.000% *  0.1493% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 7.18, residual support = 41.6:
        T HN    ALA   84 - HN    VAL   83   2.56 +/- 0.03  99.998% * 99.1206% (0.75   7.18  41.61) = 100.000%  kept
          HE21  GLN   32 - HN    VAL   83  17.72 +/- 2.02   0.001% *  0.2325% (0.63   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    VAL   83  20.43 +/- 0.32   0.000% *  0.2759% (0.75   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    VAL   83  21.73 +/- 0.42   0.000% *  0.2021% (0.55   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    VAL   83  23.05 +/- 0.54   0.000% *  0.1688% (0.46   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 21.1:
        T HN    SER   82 - HN    VAL   83   2.75 +/- 0.03  99.945% * 99.4930% (0.75   5.62  21.06) = 100.000%  kept
          HN    GLN   90 - HN    VAL   83   9.87 +/- 0.90   0.054% *  0.1328% (0.28   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    VAL   83  18.00 +/- 0.68   0.001% *  0.0788% (0.17   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    VAL   83  23.70 +/- 0.71   0.000% *  0.1862% (0.40   0.02   0.02) =   0.000%
          HN    SER  117 - HN    VAL   83  26.85 +/- 0.44   0.000% *  0.1092% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.66 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   2.80 +/- 0.03  99.967% * 99.3274% (0.99   3.77  20.74) = 100.000%  kept
          HN    THR   94 - HN    ALA   84  11.08 +/- 0.31   0.027% *  0.1184% (0.22   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ALA   84  15.12 +/- 0.45   0.004% *  0.4611% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ALA   84  17.25 +/- 0.36   0.002% *  0.0931% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 7.18, residual support = 41.6:
        T HN    VAL   83 - HN    ALA   84   2.56 +/- 0.03  99.997% * 99.7983% (1.00   7.18  41.61) = 100.000%  kept
          HN    CYS   50 - HN    ALA   84  14.42 +/- 0.38   0.003% *  0.2017% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 2.13, residual support = 4.88:
          HA    LYS+  81 - HN    ALA   84   3.31 +/- 0.11  99.922% * 95.4517% (0.80   2.13   4.88) = 100.000%  kept
          HA    ASN   28 - HN    ALA   84  11.37 +/- 0.44   0.065% *  0.5441% (0.49   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   84  20.63 +/- 0.58   0.002% *  1.0788% (0.97   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   84  17.12 +/- 1.71   0.006% *  0.1958% (0.18   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA   84  19.18 +/- 0.40   0.003% *  0.3450% (0.31   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   84  20.37 +/- 0.39   0.002% *  0.5012% (0.45   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA   84  22.86 +/- 0.46   0.001% *  0.7679% (0.69   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   84  32.11 +/- 0.79   0.000% *  1.1154% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 478 (4.16, 6.59, 123.60 ppm):
    6 chemical-shift based assignments, quality = 0.372, support = 0.0183, residual support = 0.0183:
          HA    GLU-  25 - HN    VAL   83  10.02 +/- 0.57  71.531% * 13.1508% (0.34   0.02   0.02) =  62.399%  kept
          HA    THR   26 - HN    VAL   83  12.33 +/- 0.60  20.724% * 21.2999% (0.55   0.02   0.02) =  29.281%  kept
          HA    ILE   19 - HN    VAL   83  17.09 +/- 0.61   2.939% * 20.1488% (0.52   0.02   0.02) =   3.928%
          HA    CYS   53 - HN    VAL   83  19.16 +/- 0.43   1.514% * 27.0775% (0.70   0.02   0.02) =   2.718%
          HA1   GLY  101 - HN    VAL   83  17.35 +/- 1.86   2.979% *  7.3142% (0.19   0.02   0.02) =   1.445%
          HA    GLU- 114 - HN    VAL   83  24.87 +/- 0.39   0.313% * 11.0089% (0.28   0.02   0.02) =   0.228%
    Distance limit 4.57 A violated in 20 structures by 5.03 A, eliminated.
    Peak unassigned.
 
    Peak 479 (8.06, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.577, support = 2.6, residual support = 5.16:
        T HN    SER   85 - HN    VAL   83   3.90 +/- 0.09  88.512% * 98.0650% (0.58   2.60   5.16) =  99.955%  kept
          HN    LEU   80 - HN    VAL   83   5.51 +/- 0.16  11.432% *  0.3363% (0.26   0.02   0.02) =   0.044%
          HN    GLN   32 - HN    VAL   83  14.38 +/- 0.54   0.036% *  0.9839% (0.75   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    VAL   83  17.08 +/- 0.49   0.013% *  0.4421% (0.34   0.02   0.02) =   0.000%
        T HN    CYS   53 - HN    VAL   83  19.02 +/- 0.44   0.007% *  0.1727% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.59 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 = 3.92, residual support = 4.67:
          HN    SER   82 - HN    ALA   84   4.19 +/- 0.06  95.938% * 99.1699% (0.87   3.92   4.67) =  99.983%  kept
          HN    GLN   90 - HN    ALA   84   7.40 +/- 0.94   4.037% *  0.4007% (0.69   0.02   0.02) =   0.017%
          HN    ILE  103 - HN    ALA   84  17.08 +/- 0.62   0.022% *  0.2840% (0.49   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    ALA   84  22.98 +/- 0.54   0.004% *  0.1455% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.73 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 = 13.3:
          HN    ASP-  86 - HN    SER   85   2.60 +/- 0.08  99.994% * 97.4556% (0.80   3.33  13.32) = 100.000%  kept
          HN    GLN   30 - HN    SER   85  15.62 +/- 0.48   0.002% *  0.6336% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    SER   85  15.10 +/- 0.56   0.003% *  0.2742% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    SER   85  19.17 +/- 0.43   0.001% *  0.4725% (0.65   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    SER   85  22.91 +/- 1.87   0.000% *  0.5304% (0.73   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    SER   85  28.64 +/- 1.79   0.000% *  0.6336% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.54 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   2.80 +/- 0.03  99.937% * 97.8184% (0.90   3.77  20.74) = 100.000%  kept
          HZ2   TRP   87 - HN    SER   85  10.02 +/- 0.16   0.048% *  0.1013% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    SER   85  12.87 +/- 0.78   0.012% *  0.1786% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    SER   85  18.16 +/- 0.39   0.001% *  0.5189% (0.90   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    SER   85  20.42 +/- 0.45   0.001% *  0.5671% (0.98   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    SER   85  20.60 +/- 2.14   0.001% *  0.2816% (0.49   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    SER   85  22.96 +/- 0.35   0.000% *  0.5341% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 5.16:
        T HN    VAL   83 - HN    SER   85   3.90 +/- 0.09  99.971% * 99.6371% (0.87   2.60   5.16) = 100.000%  kept
          HN    CYS   50 - HN    SER   85  15.24 +/- 0.47   0.029% *  0.3629% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 484 (4.29, 8.05, 111.48 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 3.65, residual support = 18.1:
      O   HA    SER   85 - HN    SER   85   2.78 +/- 0.02  97.105% * 96.2963% (0.99   3.65  18.07) =  99.992%  kept
          HA    ASP-  86 - HN    SER   85   5.13 +/- 0.08   2.490% *  0.2384% (0.45   0.02  13.32) =   0.006%
          HB    THR   77 - HN    SER   85   7.66 +/- 0.74   0.295% *  0.5271% (0.99   0.02   0.02) =   0.002%
          HA    GLU-  79 - HN    SER   85   8.81 +/- 0.39   0.099% *  0.3226% (0.61   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    SER   85  13.50 +/- 0.30   0.007% *  0.5318% (1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    SER   85  17.00 +/- 0.50   0.002% *  0.5031% (0.95   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    SER   85  19.60 +/- 0.46   0.001% *  0.2186% (0.41   0.02   0.02) =   0.000%
          HA    THR   39 - HN    SER   85  24.10 +/- 0.34   0.000% *  0.2798% (0.53   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    SER   85  20.12 +/- 0.46   0.001% *  0.0931% (0.18   0.02   0.02) =   0.000%
          HA    MET   11 - HN    SER   85  35.18 +/- 4.17   0.000% *  0.5306% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    SER   85  27.78 +/- 1.32   0.000% *  0.1996% (0.38   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    SER   85  32.79 +/- 2.36   0.000% *  0.2589% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 0.519, support = 0.0179, residual support = 0.0179:
          HA    THR   26 - HN    SER   85  15.87 +/- 0.54  12.429% * 23.1039% (0.98   0.02   0.02) =  33.515%  kept
          HA    ASN   28 - HN    SER   85  13.28 +/- 0.54  36.163% *  5.2476% (0.22   0.02   0.02) =  22.148%  kept
          HA    GLU-  25 - HN    SER   85  13.75 +/- 0.63  29.362% *  4.1279% (0.18   0.02   0.02) =  14.146%  kept
          HA    CYS   53 - HN    SER   85  17.92 +/- 0.50   6.209% * 14.2963% (0.61   0.02   0.02) =  10.361%  kept
          HA1   GLY  101 - HN    SER   85  18.11 +/- 1.64   6.122% * 13.3446% (0.57   0.02   0.02) =   9.535%  kept
          HA    ILE   19 - HN    SER   85  19.33 +/- 0.36   3.822% *  8.0401% (0.34   0.02   0.02) =   3.586%
          HA    GLU- 114 - HN    SER   85  22.72 +/- 0.41   1.463% * 17.1158% (0.73   0.02   0.02) =   2.923%
          HA    ALA   34 - HN    SER   85  21.27 +/- 0.42   2.160% *  8.8463% (0.38   0.02   0.02) =   2.230%
          HA    LEU  115 - HN    SER   85  21.11 +/- 0.36   2.269% *  5.8774% (0.25   0.02   0.02) =   1.556%
    Distance limit 4.12 A violated in 20 structures by 7.28 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 = 13.3:
        T HN    SER   85 - HN    ASP-  86   2.60 +/- 0.08  99.990% * 99.2397% (0.99   3.33  13.32) = 100.000%  kept
          HN    GLN   32 - HN    ASP-  86  15.89 +/- 0.49   0.002% *  0.5213% (0.87   0.02   0.02) =   0.000%
          HN    THR   94 - HN    ASP-  86  12.71 +/- 0.38   0.007% *  0.1338% (0.22   0.02   0.02) =   0.000%
        T HN    ALA   34 - HN    ASP-  86  18.29 +/- 0.42   0.001% *  0.1052% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 487 (7.69, 8.31, 124.24 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 3.69, residual support = 22.3:
          HN    TRP   87 - HN    ASP-  86   2.40 +/- 0.05  99.888% * 98.7385% (0.95   3.69  22.29) = 100.000%  kept
          HE3   TRP   87 - HN    ASP-  86   7.47 +/- 0.08   0.112% *  0.1746% (0.31   0.02  22.29) =   0.000%
          HN    GLN   17 - HN    ASP-  86  24.48 +/- 0.49   0.000% *  0.5646% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - HN    ASP-  86  26.83 +/- 1.26   0.000% *  0.5223% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 0.867, support = 4.05, residual support = 40.9:
      O   HA    ASP-  86 - HN    ASP-  86   2.82 +/- 0.02  78.093% * 97.9221% (0.87   4.05  40.96) =  99.973%  kept
      O   HA    SER   85 - HN    ASP-  86   3.57 +/- 0.01  19.317% *  0.0859% (0.15   0.02  13.32) =   0.022%
          HA    TRP   87 - HN    ASP-  86   5.00 +/- 0.04   2.532% *  0.1549% (0.28   0.02  22.29) =   0.005%
          HB    THR   77 - HN    ASP-  86   9.80 +/- 0.74   0.051% *  0.0859% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  86  13.79 +/- 0.32   0.006% *  0.1102% (0.20   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  86  19.45 +/- 0.56   0.001% *  0.5375% (0.97   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  86  27.91 +/- 1.38   0.000% *  0.5142% (0.92   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  86  32.86 +/- 2.33   0.000% *  0.4652% (0.84   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  86  35.20 +/- 4.05   0.000% *  0.1240% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 489 (8.31, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.69, residual support = 22.3:
          HN    ASP-  86 - HN    TRP   87   2.40 +/- 0.05  99.995% * 98.4310% (1.00   3.69  22.29) = 100.000%  kept
          HN    GLN   30 - HN    TRP   87  15.00 +/- 0.38   0.002% *  0.5336% (1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    TRP   87  14.90 +/- 0.48   0.002% *  0.3883% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    TRP   87  15.86 +/- 0.45   0.001% *  0.1651% (0.31   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    TRP   87  20.35 +/- 2.05   0.000% *  0.2007% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    TRP   87  27.98 +/- 1.67   0.000% *  0.2814% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 490 (4.33, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.849, support = 3.98, residual support = 62.5:
      O   HA    TRP   87 - HN    TRP   87   2.92 +/- 0.01  74.549% * 80.4777% (0.90   4.03  65.68) =  92.610%  kept
      O   HA    ASP-  86 - HN    TRP   87   3.50 +/- 0.04  25.449% * 18.8123% (0.25   3.39  22.29) =   7.390%  kept
          HA    LEU  104 - HN    TRP   87  17.46 +/- 0.53   0.002% *  0.3061% (0.69   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    TRP   87  22.29 +/- 0.31   0.000% *  0.1672% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    TRP   87  27.23 +/- 1.32   0.000% *  0.1375% (0.31   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    TRP   87  32.31 +/- 2.19   0.000% *  0.0992% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (7.73, 10.56, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 1.89, residual support = 65.7:
      O   HD1   TRP   87 - HE1   TRP   87   2.64 +/- 0.00  98.671% * 87.0905% (0.28   1.89  65.68) =  99.962%  kept
          HE3   TRP   87 - HE1   TRP   87   5.48 +/- 0.00   1.227% *  2.4112% (0.73   0.02  65.68) =   0.034%
          HN    TRP   27 - HE1   TRP   87   8.50 +/- 0.35   0.092% *  2.9779% (0.90   0.02   6.25) =   0.003%
          HN    ALA   91 - HE1   TRP   87  12.83 +/- 0.55   0.008% *  3.2911% (0.99   0.02   0.02) =   0.000%
          HN    THR   39 - HE1   TRP   87  15.80 +/- 0.27   0.002% *  1.0249% (0.31   0.02   0.02) =   0.000%
          HN    ALA   61 - HE1   TRP   87  19.71 +/- 0.43   0.001% *  3.2045% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (6.74, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 2.0, residual support = 6.25:
          HZ2   TRP   27 - HE1   TRP   87   3.44 +/- 0.54  99.990% * 99.7535% (0.80   2.00   6.25) = 100.000%  kept
          HZ    PHE   72 - HE1   TRP   87  16.57 +/- 0.43   0.010% *  0.2465% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 493 (4.31, 7.82, 121.71 ppm):
    9 chemical-shift based assignments, quality = 0.274, support = 2.93, residual support = 4.83:
      O   HA    TRP   87 - HN    ALA   88   3.32 +/- 0.07  37.333% * 90.5335% (0.28   2.97   4.91) =  98.428%  kept
          HA    ASP-  86 - HN    ALA   88   3.66 +/- 0.09  20.983% *  1.9008% (0.87   0.02   0.02) =   1.161%
          HA    SER   85 - HN    ALA   88   3.27 +/- 0.09  41.585% *  0.3381% (0.15   0.02   0.02) =   0.409%
          HB    THR   77 - HN    ALA   88   9.34 +/- 0.61   0.084% *  0.3381% (0.15   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    ALA   88  12.62 +/- 0.32   0.013% *  0.4337% (0.20   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   88  17.84 +/- 0.57   0.002% *  2.1148% (0.97   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ALA   88  29.06 +/- 1.27   0.000% *  2.0228% (0.92   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   88  34.19 +/- 2.14   0.000% *  1.8303% (0.84   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   88  36.59 +/- 3.78   0.000% *  0.4879% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 0.584, support = 0.835, residual support = 13.1:
          HA    TRP   87 - HN    ILE   89   4.46 +/- 0.08  85.438% * 76.3134% (0.61   0.87  13.62) =  96.283%  kept
          HA    ASP-  86 - HN    ILE   89   6.04 +/- 0.36  14.529% * 17.3207% (0.53   0.23   0.02) =   3.716%
          HA    LEU  104 - HN    ILE   89  17.88 +/- 0.55   0.021% *  2.7453% (0.95   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    ILE   89  20.50 +/- 0.33   0.009% *  0.4478% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE   89  27.89 +/- 1.23   0.002% *  1.7602% (0.61   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE   89  33.11 +/- 2.14   0.001% *  1.4126% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 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   2.42 +/- 0.30  99.955% * 99.1370% (0.92   6.75  32.43) = 100.000%  kept
          HE3   TRP   87 - HN    GLN   90   9.24 +/- 0.30   0.042% *  0.3071% (0.97   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLN   90  15.81 +/- 0.90   0.002% *  0.1930% (0.61   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    GLN   90  16.93 +/- 0.44   0.001% *  0.3071% (0.97   0.02   0.02) =   0.000%
          HN    GLN   17 - HN    GLN   90  22.87 +/- 0.85   0.000% *  0.0557% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 496 (4.48, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.371, support = 5.37, residual support = 86.5:
      O   HA    GLN   90 - HN    GLN   90   2.46 +/- 0.25  96.489% * 37.3883% (0.34   5.48  89.73) =  94.375%  kept
          HA    ALA   91 - HN    GLN   90   4.63 +/- 0.41   3.484% * 61.7087% (0.87   3.56  32.43) =   5.625%  kept
          HA    VAL  107 - HN    GLN   90  12.60 +/- 0.85   0.009% *  0.3859% (0.97   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    GLN   90  11.01 +/- 0.42   0.016% *  0.1793% (0.45   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    GLN   90  15.34 +/- 0.80   0.002% *  0.2587% (0.65   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   90  17.37 +/- 0.35   0.001% *  0.0791% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 89.7:
      O T HE22  GLN   90 - HE21  GLN   90   1.73 +/- 0.00 100.000% * 97.3706% (0.92   1.00  89.73) = 100.000%  kept
        T HE22  GLN   32 - HE21  GLN   90  26.58 +/- 1.93   0.000% *  1.7621% (0.83   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN   90  29.07 +/- 1.91   0.000% *  0.8673% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.56 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 = 89.7:
      O   HE21  GLN   90 - HE22  GLN   90   1.73 +/- 0.00  99.921% * 94.3291% (0.76   1.00  89.73) =  99.999%  kept
          HD21  ASN   35 - HE22  GLN   32   7.18 +/- 1.39   0.077% *  0.6127% (0.25   0.02   6.98) =   0.001%
          HD1   TRP   49 - HE22  GLN   90  12.37 +/- 1.79   0.002% *  0.3809% (0.15   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   90  17.56 +/- 2.04   0.000% *  0.6156% (0.25   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE22  GLN   90  24.45 +/- 2.07   0.000% *  1.5970% (0.65   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   90  20.88 +/- 1.20   0.000% *  0.5496% (0.22   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   32  19.76 +/- 0.80   0.000% *  0.2362% (0.10   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN   32  26.58 +/- 1.93   0.000% *  0.7238% (0.29   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   90  25.80 +/- 2.39   0.000% *  0.4323% (0.18   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   32  32.57 +/- 0.83   0.000% *  0.2109% (0.09   0.02   0.02) =   0.000%
          HD1   TRP   49 - HE22  GLN   32  32.26 +/- 1.21   0.000% *  0.1461% (0.06   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   32  36.02 +/- 1.07   0.000% *  0.1659% (0.07   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 499 (8.62, 7.72, 122.85 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.75, residual support = 32.4:
        T HN    GLN   90 - HN    ALA   91   2.42 +/- 0.30  99.222% * 99.3521% (0.95   6.75  32.43) =  99.999%  kept
          HN    GLY  109 - HN    ALA   91   6.79 +/- 0.89   0.749% *  0.1637% (0.53   0.02   0.02) =   0.001%
          HN    SER   82 - HN    ALA   91  12.19 +/- 0.63   0.008% *  0.0693% (0.22   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  18.95 +/- 0.85   0.001% *  0.3112% (1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  10.62 +/- 0.65   0.017% *  0.0086% (0.03   0.02   0.02) =   0.000%
        T HN    GLN   90 - HN    TRP   27  15.81 +/- 0.90   0.002% *  0.0364% (0.12   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  18.22 +/- 0.67   0.001% *  0.0385% (0.12   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  20.41 +/- 0.66   0.000% *  0.0202% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 500 (5.58, 7.72, 122.85 ppm):
    2 chemical-shift based assignments, quality = 0.16, support = 0.02, residual support = 10.9:
          HA    LEU   73 - HN    TRP   27   8.82 +/- 0.35  98.010% * 10.9973% (0.08   0.02  12.74) =  85.885%  kept
          HA    LEU   73 - HN    ALA   91  17.04 +/- 0.65   1.990% * 89.0027% (0.65   0.02   0.02) =  14.115%  kept
    Distance limit 4.63 A violated in 20 structures by 4.16 A, eliminated.
    Peak unassigned.
 
    Peak 501 (4.49, 7.72, 122.85 ppm):
    10 chemical-shift based assignments, quality = 0.78, support = 3.05, residual support = 33.4:
      O   HA    ALA   91 - HN    ALA   91   2.94 +/- 0.00  41.453% * 79.7185% (1.00   2.45  12.31) =  75.312%  kept
      O   HA    TRP   27 - HN    TRP   27   2.77 +/- 0.02  58.505% * 18.5159% (0.12   4.87  97.78) =  24.688%  kept
          HA    VAL  107 - HN    ALA   91  12.48 +/- 0.89   0.008% *  0.6158% (0.95   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   91  10.38 +/- 0.57   0.024% *  0.1140% (0.18   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ALA   91  12.30 +/- 0.45   0.008% *  0.2221% (0.34   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  17.60 +/- 0.53   0.001% *  0.6158% (0.95   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  19.65 +/- 0.42   0.000% *  0.0803% (0.12   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.74 +/- 0.57   0.000% *  0.0761% (0.12   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.81 +/- 0.42   0.000% *  0.0274% (0.04   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    TRP   27  22.32 +/- 0.44   0.000% *  0.0141% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 61.8:
      O   HA    MET   92 - HN    MET   92   2.21 +/- 0.12  99.981% * 96.2389% (0.25   4.21  61.77) = 100.000%  kept
          HA    PHE   45 - HN    MET   92   9.37 +/- 0.24   0.019% *  0.4575% (0.25   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    MET   92  20.97 +/- 0.27   0.000% *  1.4690% (0.80   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    MET   92  24.30 +/- 0.47   0.000% *  1.8346% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 504 (4.50, 8.46, 118.59 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 2.89, residual support = 8.95:
      O   HA    ALA   91 - HN    MET   92   2.26 +/- 0.09  99.939% * 97.8876% (0.80   2.89   8.95) = 100.000%  kept
          HA    PRO   52 - HN    MET   92   8.33 +/- 0.58   0.051% *  0.5812% (0.69   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    MET   92  13.22 +/- 0.37   0.003% *  0.5473% (0.65   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    MET   92  11.18 +/- 0.35   0.007% *  0.1674% (0.20   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    MET   92  19.75 +/- 0.30   0.000% *  0.8165% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 505 (8.75, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.3, residual support = 27.2:
        T HN    PHE   45 - HN    THR   94   2.92 +/- 0.16  99.230% * 99.3645% (0.95   3.30  27.20) =  99.995%  kept
          HN    ALA  110 - HN    THR   94   6.59 +/- 0.20   0.770% *  0.6355% (1.00   0.02   0.02) =   0.005%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 506 (5.60, 8.03, 115.19 ppm):
    1 chemical-shift based assignment, quality = 0.135, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - HN    THR   94   8.80 +/- 0.18 100.000% *100.0000% (0.14   0.02   0.02) = 100.000%  kept
    Distance limit 4.55 A violated in 20 structures by 4.25 A, eliminated.
    Peak unassigned.
 
    Peak 507 (5.04, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 4.09, residual support = 15.3:
      O   HA    PRO   93 - HN    THR   94   2.20 +/- 0.06  99.952% * 99.5673% (0.22   4.09  15.32) = 100.000%  kept
          HA    ASP-  76 - HN    THR   94   7.93 +/- 0.32   0.048% *  0.4327% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.966, support = 0.02, residual support = 0.02:
          HA    MET   92 - HN    THR   94   6.18 +/- 0.19  87.485% * 54.6147% (1.00   0.02   0.02) =  92.057%  kept
          HA    LYS+  74 - HN    THR   94   8.63 +/- 0.36  12.361% * 33.1992% (0.61   0.02   0.02) =   7.907%  kept
          HA    HIS  122 - HN    THR   94  17.87 +/- 0.48   0.154% * 12.1862% (0.22   0.02   0.02) =   0.036%
    Distance limit 3.94 A violated in 20 structures by 2.11 A, eliminated.
    Peak unassigned.
 
    Peak 509 (9.56, 9.87, 125.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 2.14, residual support = 50.4:
          HN    VAL  107 - HN    PHE   95   2.92 +/- 0.11  99.993% * 99.1150% (0.97   2.14  50.43) = 100.000%  kept
          HN    GLY   51 - HN    PHE   95  14.27 +/- 0.14   0.007% *  0.8850% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 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   2.87 +/- 0.38  99.852% * 99.3349% (0.87   3.85  73.37) = 100.000%  kept
          HN    ALA   47 - HN    PHE   95  10.65 +/- 0.33   0.047% *  0.5166% (0.87   0.02   0.02) =   0.000%
          QE    PHE   72 - HN    PHE   95   9.50 +/- 0.30   0.101% *  0.1485% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 4.31, residual support = 73.4:
      O   HA    PHE   95 - HN    PHE   95   2.93 +/- 0.00 100.000% *100.0000% (1.00   4.31  73.37) = 100.000%  kept
    Distance limit 4.49 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 = 13.7:
      O   HA    THR   94 - HN    PHE   95   2.19 +/- 0.02  99.976% * 99.0684% (0.65   3.16  13.67) = 100.000%  kept
          HA    LYS+  74 - HN    PHE   95  10.75 +/- 0.35   0.007% *  0.7400% (0.76   0.02   0.02) =   0.000%
          HA    MET   92 - HN    PHE   95   9.35 +/- 0.20   0.017% *  0.1916% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 513 (5.96, 9.32, 123.66 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 4.0, residual support = 12.0:
      O   HA    PHE   95 - HN    MET   96   2.22 +/- 0.04 100.000% *100.0000% (0.95   4.00  11.99) = 100.000%  kept
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 514 (5.31, 9.32, 123.66 ppm):
    2 chemical-shift based assignments, quality = 0.938, support = 4.09, residual support = 115.5:
      O   HA    MET   96 - HN    MET   96   2.92 +/- 0.01  99.680% * 99.9026% (0.94   4.09 115.54) = 100.000%  kept
          HA    PHE   72 - HN    MET   96   7.61 +/- 0.19   0.320% *  0.0974% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 4.62, residual support = 59.1:
        T HN    ASP- 105 - HN    PHE   97   3.33 +/- 0.19  99.969% * 99.9141% (1.00   4.62  59.09) = 100.000%  kept
          HN    ALA   88 - HN    PHE   97  12.93 +/- 0.40   0.031% *  0.0859% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 516 (7.12, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.09, residual support = 62.6:
          QD    PHE   97 - HN    PHE   97   2.72 +/- 0.47  98.891% * 98.9925% (0.80   4.09  62.60) =  99.994%  kept
          HZ3   TRP   87 - HN    PHE   97   6.15 +/- 0.45   1.109% *  0.5239% (0.87   0.02   0.02) =   0.006%
          HE3   TRP   49 - HN    PHE   97  23.03 +/- 0.18   0.000% *  0.4836% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 517 (5.62, 8.40, 123.79 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.28, residual support = 11.1:
          HA    LYS+ 106 - HN    PHE   97   3.16 +/- 0.17 100.000% *100.0000% (0.98   3.28  11.08) = 100.000%  kept
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 518 (5.31, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 6.07, residual support = 45.8:
      O   HA    MET   96 - HN    PHE   97   2.21 +/- 0.01  99.984% * 99.9343% (0.99   6.07  45.81) = 100.000%  kept
          HA    PHE   72 - HN    PHE   97   9.55 +/- 0.26   0.016% *  0.0657% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 5.54, residual support = 32.3:
        T HN    VAL   41 - HN    LEU   98   2.81 +/- 0.19 100.000% *100.0000% (0.69   5.54  32.33) = 100.000%  kept
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 520 (5.50, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.21, residual support = 81.1:
      O   HA    LEU   98 - HN    LEU   98   2.93 +/- 0.01 100.000% *100.0000% (0.80   5.21  81.15) = 100.000%  kept
    Distance limit 4.37 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 = 3.43, residual support = 10.9:
      O   HA    PHE   97 - HN    LEU   98   2.20 +/- 0.01 100.000% *100.0000% (0.98   3.43  10.91) = 100.000%  kept
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 522 (4.42, 9.69, 125.68 ppm):
    8 chemical-shift based assignments, quality = 0.483, support = 1.85, residual support = 5.34:
          HA    VAL   42 - HN    LEU   98   3.68 +/- 0.21  80.472% * 21.5364% (0.45   0.99   0.51) =  54.783%  kept
          HA    LEU   40 - HN    LEU   98   4.74 +/- 0.23  19.445% * 73.5579% (0.53   2.88  11.20) =  45.215%  kept
          HA    SER   37 - HN    LEU   98  13.37 +/- 0.22   0.036% *  0.9356% (0.97   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    LEU   98  15.51 +/- 0.32   0.015% *  0.9356% (0.97   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   98  16.10 +/- 0.24   0.011% *  0.9608% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU   98  15.75 +/- 1.07   0.014% *  0.7039% (0.73   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU   98  18.97 +/- 0.26   0.004% *  0.6659% (0.69   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   98  21.65 +/- 1.75   0.002% *  0.7039% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 523 (7.77, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 0.997, residual support = 1.99:
          HN    LYS+ 102 - HN    LYS+  99   2.55 +/- 0.54  98.423% * 96.0466% (0.95   1.00   1.99) =  99.994%  kept
          HN    ASP- 105 - HN    LYS+  99   5.96 +/- 0.18   1.282% *  0.3568% (0.18   0.02   0.02) =   0.005%
          HN    THR   39 - HN    LYS+  99   8.64 +/- 0.33   0.126% *  0.7647% (0.38   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    LYS+  99  11.16 +/- 0.42   0.026% *  1.6316% (0.80   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    GLN   30   9.25 +/- 0.23   0.089% *  0.1072% (0.05   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  99  14.22 +/- 0.43   0.006% *  0.8377% (0.41   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLN   30  11.46 +/- 0.32   0.024% *  0.0502% (0.02   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLN   30  11.92 +/- 0.23   0.018% *  0.0550% (0.03   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    GLN   30  14.99 +/- 1.13   0.003% *  0.1266% (0.06   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLN   30  17.46 +/- 0.45   0.002% *  0.0234% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 2 structures by 0.02 A, kept.
 
    Peak 524 (5.51, 8.33, 118.17 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.29, residual support = 18.0:
      O   HA    LEU   98 - HN    LYS+  99   2.35 +/- 0.08  99.998% * 99.9694% (0.99   4.29  18.01) = 100.000%  kept
          HA    LEU   98 - HN    GLN   30  14.24 +/- 0.55   0.002% *  0.0306% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 5.13, residual support = 173.9:
      O   HA    LYS+  99 - HN    LYS+  99   2.88 +/- 0.02  99.604% * 98.1921% (0.80   5.13 173.87) =  99.999%  kept
          HA    ASN   35 - HN    LYS+  99   7.62 +/- 0.43   0.314% *  0.3093% (0.65   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    GLN   30  10.15 +/- 0.13   0.053% *  0.0203% (0.04   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    LYS+  99  13.57 +/- 0.41   0.009% *  0.0738% (0.15   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  99  18.94 +/- 0.55   0.001% *  0.2327% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLN   30  13.11 +/- 0.54   0.012% *  0.0252% (0.05   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    LYS+  99  19.89 +/- 0.22   0.001% *  0.2900% (0.61   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LYS+  99  22.29 +/- 0.23   0.000% *  0.4771% (1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  99  21.51 +/- 0.26   0.001% *  0.2900% (0.61   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN   30  15.24 +/- 0.16   0.005% *  0.0048% (0.01   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLN   30  23.63 +/- 0.35   0.000% *  0.0191% (0.04   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLN   30  24.15 +/- 0.29   0.000% *  0.0191% (0.04   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLN   30  30.26 +/- 0.27   0.000% *  0.0313% (0.07   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLN   30  27.12 +/- 0.56   0.000% *  0.0153% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 526 (8.85, 10.11, 128.03 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.61, residual support = 14.9:
        T HN    GLY  101 - HN    GLU- 100   2.69 +/- 0.24  99.092% * 99.9250% (1.00   3.61  14.95) =  99.999%  kept
          HN    LEU   40 - HN    GLU- 100   6.29 +/- 0.44   0.908% *  0.0750% (0.14   0.02   0.02) =   0.001%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 527 (4.37, 10.11, 128.03 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 6.76, residual support = 40.2:
      O   HA    LYS+  99 - HN    GLU- 100   2.19 +/- 0.03  96.289% * 98.8127% (0.99   6.76  40.23) =  99.992%  kept
          HA    ASN   35 - HN    GLU- 100   4.22 +/- 0.48   2.396% *  0.2724% (0.92   0.02   0.02) =   0.007%
          HA    LEU   40 - HN    GLU- 100   4.64 +/- 0.35   1.314% *  0.0584% (0.20   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    GLU- 100  20.36 +/- 0.71   0.000% *  0.2363% (0.80   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU- 100  24.01 +/- 0.27   0.000% *  0.2646% (0.90   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU- 100  25.71 +/- 0.21   0.000% *  0.2646% (0.90   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 100  21.96 +/- 0.35   0.000% *  0.0911% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 529 (7.77, 8.85, 104.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.12, residual support = 12.5:
          HN    LYS+ 102 - HN    GLY  101   2.28 +/- 0.43  99.812% * 98.8199% (0.95   3.12  12.48) =  99.999%  kept
          HN    THR   39 - HN    GLY  101   7.67 +/- 0.57   0.099% *  0.2513% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    GLY  101   8.93 +/- 0.76   0.038% *  0.5362% (0.80   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLY  101   8.90 +/- 0.21   0.048% *  0.1173% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLY  101  14.50 +/- 0.99   0.002% *  0.2753% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 530 (8.33, 7.76, 120.90 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 0.997, residual support = 1.99:
          HN    LYS+  99 - HN    LYS+ 102   2.55 +/- 0.54  99.940% * 95.3486% (0.98   1.00   1.99) = 100.000%  kept
          HN    ASN   35 - HN    LYS+ 102   9.65 +/- 1.04   0.048% *  0.3012% (0.15   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    LYS+ 102  14.75 +/- 2.58   0.007% *  1.8466% (0.95   0.02   0.02) =   0.000%
          HN    GLN   30 - HN    LYS+ 102  14.99 +/- 1.13   0.003% *  0.4868% (0.25   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    LYS+ 102  17.69 +/- 0.88   0.001% *  0.3863% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    LYS+ 102  23.68 +/- 1.74   0.000% *  1.6305% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 1 structures by 0.01 A, kept.
 
    Peak 531 (8.85, 7.76, 120.90 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.12, residual support = 12.5:
        T HN    GLY  101 - HN    LYS+ 102   2.28 +/- 0.43  99.974% * 99.9131% (1.00   3.12  12.48) = 100.000%  kept
          HN    LEU   40 - HN    LYS+ 102   9.61 +/- 0.49   0.026% *  0.0869% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 532 (10.10, 8.85, 104.25 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.61, residual support = 14.9:
        T HN    GLU- 100 - HN    GLY  101   2.69 +/- 0.24 100.000% *100.0000% (0.80   3.61  14.95) = 100.000%  kept
    Distance limit 4.34 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 = 0.99, support = 1.43, residual support = 1.43:
          HA    LYS+  99 - HN    GLY  101   3.42 +/- 0.32  89.539% * 94.6250% (0.99   1.43   1.43) =  99.878%  kept
          HA    ASN   35 - HN    GLY  101   5.33 +/- 0.80   7.866% *  1.2330% (0.92   0.02   0.02) =   0.114%
          HA    LEU   40 - HN    GLY  101   6.27 +/- 0.40   2.591% *  0.2643% (0.20   0.02   0.02) =   0.008%
          HA    LEU  123 - HN    GLY  101  21.45 +/- 0.74   0.002% *  1.0695% (0.80   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLY  101  23.96 +/- 0.44   0.001% *  1.1979% (0.90   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLY  101  25.21 +/- 0.20   0.001% *  1.1979% (0.90   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLY  101  22.40 +/- 0.39   0.001% *  0.4123% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 534 (4.14, 8.85, 104.25 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 2.86, residual support = 15.4:
      O   HA1   GLY  101 - HN    GLY  101   2.41 +/- 0.13  99.932% * 96.7496% (1.00   2.86  15.44) = 100.000%  kept
          HA    ALA   34 - HN    GLY  101   8.47 +/- 0.80   0.059% *  0.6546% (0.97   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLY  101  11.83 +/- 1.16   0.008% *  0.5666% (0.84   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLY  101  17.03 +/- 1.13   0.001% *  0.4388% (0.65   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLY  101  19.14 +/- 0.24   0.000% *  0.5884% (0.87   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLY  101  21.05 +/- 0.26   0.000% *  0.6417% (0.95   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLY  101  21.65 +/- 1.12   0.000% *  0.1510% (0.22   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    GLY  101  28.32 +/- 0.58   0.000% *  0.2094% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 6.52, residual support = 36.3:
          HN    LEU  104 - HN    ILE  103   4.44 +/- 0.07  99.968% * 99.3862% (0.49   6.52  36.29) = 100.000%  kept
          HN    PHE   72 - HN    ILE  103  17.02 +/- 0.28   0.032% *  0.6138% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 536 (4.60, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.98, residual support = 22.5:
      O   HA    LYS+ 102 - HN    ILE  103   2.23 +/- 0.08  99.999% * 99.2663% (0.97   5.98  22.53) = 100.000%  kept
          HA1   GLY  109 - HN    ILE  103  17.87 +/- 0.40   0.000% *  0.1174% (0.34   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ILE  103  20.60 +/- 0.50   0.000% *  0.2364% (0.69   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  103  21.18 +/- 0.46   0.000% *  0.1062% (0.31   0.02   0.02) =   0.000%
          HA    CYS   50 - HN    ILE  103  24.52 +/- 0.31   0.000% *  0.1062% (0.31   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ILE  103  28.81 +/- 0.27   0.000% *  0.1675% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 537 (4.28, 8.62, 122.05 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 6.97, residual support = 137.4:
      O   HA    ILE  103 - HN    ILE  103   2.79 +/- 0.04  99.978% * 97.9932% (0.98   6.97 137.42) = 100.000%  kept
          HA    THR   39 - HN    ILE  103  13.30 +/- 0.39   0.009% *  0.2397% (0.84   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ILE  103  14.57 +/- 0.20   0.005% *  0.2489% (0.87   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ILE  103  17.44 +/- 0.60   0.002% *  0.2649% (0.92   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ILE  103  14.62 +/- 0.70   0.005% *  0.0568% (0.20   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ILE  103  20.88 +/- 0.33   0.001% *  0.2649% (0.92   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ILE  103  23.68 +/- 0.65   0.000% *  0.2574% (0.90   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ILE  103  22.70 +/- 0.39   0.000% *  0.1180% (0.41   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ILE  103  28.32 +/- 0.27   0.000% *  0.2084% (0.73   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ILE  103  32.69 +/- 2.98   0.000% *  0.2397% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE  103  26.14 +/- 1.33   0.000% *  0.0443% (0.15   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE  103  30.63 +/- 1.95   0.000% *  0.0639% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 538 (7.80, 9.38, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 7.27, residual support = 36.2:
        T HN    ASP- 105 - HN    LEU  104   2.40 +/- 0.17  99.999% * 99.9454% (1.00   7.27  36.20) = 100.000%  kept
          HN    ALA   88 - HN    LEU  104  15.76 +/- 0.58   0.001% *  0.0546% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 539 (5.50, 9.38, 128.74 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.47, residual support = 7.79:
          HA    LEU   98 - HN    LEU  104   2.25 +/- 0.22 100.000% *100.0000% (0.80   3.47   7.79) = 100.000%  kept
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 540 (4.29, 9.38, 128.74 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 6.92, residual support = 36.3:
      O   HA    ILE  103 - HN    LEU  104   2.19 +/- 0.02  99.988% * 97.9037% (0.95   6.92  36.29) = 100.000%  kept
          HA    THR   39 - HN    LEU  104  10.80 +/- 0.40   0.007% *  0.1573% (0.53   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU  104  12.17 +/- 0.24   0.003% *  0.2991% (1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU  104  18.72 +/- 0.54   0.000% *  0.2964% (0.99   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    LEU  104  16.80 +/- 0.62   0.001% *  0.1341% (0.45   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU  104  20.49 +/- 0.32   0.000% *  0.2964% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU  104  23.57 +/- 0.45   0.000% *  0.1814% (0.61   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU  104  19.56 +/- 0.36   0.000% *  0.0524% (0.18   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    LEU  104  23.38 +/- 1.21   0.000% *  0.1122% (0.38   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU  104  30.16 +/- 2.72   0.000% *  0.2984% (1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU  104  26.40 +/- 0.25   0.000% *  0.1230% (0.41   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    LEU  104  27.98 +/- 1.81   0.000% *  0.1456% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 4.62, residual support = 59.1:
        T HN    PHE   97 - HN    ASP- 105   3.33 +/- 0.19  99.951% * 98.9782% (0.73   4.62  59.09) = 100.000%  kept
          HN    LEU  115 - HN    ASP- 105  12.85 +/- 0.17   0.032% *  0.4288% (0.73   0.02   0.02) =   0.000%
          HN    ASN   35 - HN    ASP- 105  14.40 +/- 0.35   0.016% *  0.1642% (0.28   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ASP- 105  29.17 +/- 2.29   0.000% *  0.4288% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 542 (9.39, 7.80, 116.22 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 7.27, residual support = 36.2:
        T HN    LEU  104 - HN    ASP- 105   2.40 +/- 0.17  99.997% * 99.9511% (0.87   7.27  36.20) = 100.000%  kept
          HN    PHE   72 - HN    ASP- 105  13.83 +/- 0.23   0.003% *  0.0489% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 543 (5.63, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 5.18, residual support = 131.6:
      O   HA    LYS+ 106 - HN    LYS+ 106   2.85 +/- 0.01 100.000% *100.0000% (0.95   5.18 131.61) = 100.000%  kept
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 544 (4.80, 8.97, 118.18 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.49, residual support = 20.8:
      O   HA    ASP- 105 - HN    LYS+ 106   2.47 +/- 0.02  99.999% * 98.2570% (0.92   3.49  20.85) = 100.000%  kept
          HA    LEU   80 - HN    LYS+ 106  21.63 +/- 0.68   0.000% *  0.5767% (0.95   0.02   0.02) =   0.000%
          HB    THR   23 - HN    LYS+ 106  24.82 +/- 0.42   0.000% *  0.6083% (1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HN    LYS+ 106  23.16 +/- 0.45   0.000% *  0.3698% (0.61   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    LYS+ 106  22.38 +/- 0.28   0.000% *  0.1882% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 4.46, residual support = 40.4:
      O   HA    ASP- 105 - HN    ASP- 105   2.86 +/- 0.03  99.998% * 98.6291% (0.92   4.46  40.39) = 100.000%  kept
          HA    LEU   80 - HN    ASP- 105  21.07 +/- 0.70   0.001% *  0.4536% (0.95   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP- 105  23.21 +/- 0.39   0.000% *  0.4785% (1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HN    ASP- 105  21.94 +/- 0.39   0.000% *  0.2909% (0.61   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ASP- 105  23.25 +/- 0.23   0.000% *  0.1480% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 0.466, support = 4.98, residual support = 23.5:
      O   HA    LEU  104 - HN    ASP- 105   3.59 +/- 0.03  55.958% * 51.5215% (0.34   6.37  36.20) =  59.054%  kept
          HA    ILE  103 - HN    ASP- 105   3.75 +/- 0.22  43.917% * 45.5170% (0.65   2.97   5.31) =  40.945%  kept
          HA    ASP-  44 - HN    ASP- 105  10.89 +/- 0.22   0.074% *  0.3959% (0.84   0.02   0.02) =   0.001%
          HA    THR   39 - HN    ASP- 105  12.14 +/- 0.25   0.038% *  0.1055% (0.22   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP- 105  17.01 +/- 0.45   0.005% *  0.3795% (0.80   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP- 105  18.39 +/- 0.42   0.003% *  0.3622% (0.76   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ASP- 105  19.55 +/- 0.25   0.002% *  0.3622% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP- 105  23.75 +/- 1.16   0.001% *  0.3442% (0.73   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ASP- 105  23.27 +/- 0.36   0.001% *  0.1318% (0.28   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP- 105  28.52 +/- 1.64   0.000% *  0.3959% (0.84   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP- 105  30.78 +/- 2.65   0.000% *  0.4111% (0.87   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ASP- 105  24.63 +/- 0.21   0.001% *  0.0731% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 0.851, support = 0.0196, residual support = 0.23:
          QD    PHE   97 - HN    VAL  107   4.46 +/- 0.54  97.937% * 47.0585% (0.87   0.02   0.23) =  98.106%  kept
          HZ3   TRP   87 - HN    VAL  107   8.78 +/- 0.48   2.044% * 43.4405% (0.80   0.02   0.02) =   1.890%
          HE3   TRP   49 - HN    VAL  107  19.30 +/- 0.26   0.019% *  9.5010% (0.18   0.02   0.02) =   0.004%
    Distance limit 4.68 A violated in 8 structures by 0.14 A, eliminated.
    Peak unassigned.
 
    Peak 548 (5.62, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.25, residual support = 19.8:
      O   HA    LYS+ 106 - HN    VAL  107   2.24 +/- 0.06 100.000% *100.0000% (0.98   4.25  19.85) = 100.000%  kept
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 549 (4.49, 9.57, 125.50 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.66, residual support = 56.6:
      O   HA    VAL  107 - HN    VAL  107   2.94 +/- 0.00  99.760% * 98.5973% (0.95   3.66  56.62) = 100.000%  kept
          HA    ALA  110 - HN    VAL  107   8.16 +/- 0.15   0.220% *  0.0999% (0.18   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  107  13.42 +/- 0.53   0.011% *  0.5689% (1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  107  16.86 +/- 0.54   0.003% *  0.5394% (0.95   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  107  15.15 +/- 0.20   0.005% *  0.1945% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 5.83, residual support = 59.1:
          QD    PHE   97 - HN    ASP- 105   3.73 +/- 0.27  98.919% * 99.6157% (0.87   5.83  59.09) =  99.997%  kept
          HZ3   TRP   87 - HN    ASP- 105   8.16 +/- 0.44   1.080% *  0.3154% (0.80   0.02   0.02) =   0.003%
          HE3   TRP   49 - HN    ASP- 105  25.86 +/- 0.26   0.001% *  0.0690% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.83 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 = 0.251, support = 0.0195, residual support = 0.0195:
          HA    THR   94 - HN    GLY  109   3.42 +/- 0.25  98.171% * 19.2756% (0.26   0.02   0.02) =  97.576%  kept
          HA    MET   92 - HN    GLY  109   6.72 +/- 0.34   1.806% * 25.3346% (0.34   0.02   0.02) =   2.359%
          HA    LYS+  74 - HN    GLY  109  13.91 +/- 0.50   0.023% * 55.3898% (0.74   0.02   0.02) =   0.065%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 552 (4.58, 8.60, 114.88 ppm):
    7 chemical-shift based assignments, quality = 0.557, support = 2.16, residual support = 8.5:
      O   HA1   GLY  109 - HN    GLY  109   2.26 +/- 0.01  47.195% * 57.4449% (0.73   1.76   9.39) =  56.072%  kept
      O   HA    VAL  108 - HN    GLY  109   2.22 +/- 0.03  52.796% * 40.2299% (0.34   2.66   7.35) =  43.928%  kept
          HA    ALA   47 - HN    GLY  109  10.33 +/- 0.67   0.006% *  0.3825% (0.43   0.02   0.02) =   0.000%
          HA    CYS   50 - HN    GLY  109  11.65 +/- 0.55   0.003% *  0.6622% (0.74   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    GLY  109  15.74 +/- 0.41   0.000% *  0.5860% (0.65   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY  109  19.91 +/- 0.57   0.000% *  0.4641% (0.52   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY  109  18.03 +/- 0.33   0.000% *  0.2304% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 553 (7.59, 8.75, 122.21 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 3.04, residual support = 9.12:
          HN    LYS+ 111 - HN    ALA  110   3.54 +/- 0.08  98.812% * 97.3114% (0.90   3.04   9.12) =  99.991%  kept
          HN    ILE   56 - HN    ALA  110   7.48 +/- 0.27   1.151% *  0.6989% (0.98   0.02   6.90) =   0.008%
          HN    LEU   63 - HN    ALA  110  14.52 +/- 0.28   0.021% *  0.6582% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA  110  16.40 +/- 0.39   0.010% *  0.6395% (0.90   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA  110  18.45 +/- 0.38   0.005% *  0.1249% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA  110  26.10 +/- 0.87   0.001% *  0.2201% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA  110  30.85 +/- 1.63   0.000% *  0.3471% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 554 (4.57, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 2.07, residual support = 6.47:
      O   HA1   GLY  109 - HN    ALA  110   2.75 +/- 0.16  99.184% * 95.5707% (0.69   2.07   6.47) =  99.991%  kept
          HA    VAL  108 - HN    ALA  110   6.38 +/- 0.04   0.671% *  1.0777% (0.80   0.02   0.02) =   0.008%
          HA    CYS   50 - HN    ALA  110   9.20 +/- 0.43   0.076% *  0.9773% (0.73   0.02   0.02) =   0.001%
          HA    ALA   47 - HN    ALA  110   9.62 +/- 0.68   0.060% *  1.2070% (0.90   0.02   0.02) =   0.001%
          HA    TRP   49 - HN    ALA  110  13.35 +/- 0.30   0.008% *  0.7081% (0.53   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA  110  21.28 +/- 0.43   0.000% *  0.4591% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 555 (4.49, 8.75, 122.21 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 2.74, residual support = 9.58:
      O   HA    ALA  110 - HN    ALA  110   2.88 +/- 0.02  99.125% * 88.1192% (0.18   2.74   9.58) =  99.977%  kept
          HA    ALA   91 - HN    ALA  110   8.09 +/- 0.60   0.252% *  3.6692% (1.00   0.02   0.02) =   0.011%
          HA    PRO   52 - HN    ALA  110   7.00 +/- 0.25   0.490% *  1.2544% (0.34   0.02   0.02) =   0.007%
          HA    VAL  107 - HN    ALA  110   8.68 +/- 0.09   0.132% *  3.4786% (0.95   0.02   0.02) =   0.005%
          HA    TRP   27 - HN    ALA  110  21.44 +/- 0.50   0.001% *  3.4786% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 25.5:
        T HN    LYS+ 112 - HN    LYS+ 111   4.33 +/- 0.02  99.763% * 99.3192% (0.99   5.34  25.46) = 100.000%  kept
          HN    THR   46 - HN    LYS+ 111  12.36 +/- 0.23   0.187% *  0.0742% (0.20   0.02   0.02) =   0.000%
          HN    LYS+  74 - HN    LYS+ 111  18.06 +/- 0.29   0.019% *  0.2123% (0.57   0.02   0.02) =   0.000%
          HN    ASP-  78 - HN    LYS+ 111  16.67 +/- 0.35   0.031% *  0.0579% (0.15   0.02   0.02) =   0.000%
          HN    MET   11 - HN    LYS+ 111  37.60 +/- 3.41   0.000% *  0.3364% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.04 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   3.54 +/- 0.08  99.791% * 99.3809% (1.00   3.04   9.12) =  99.999%  kept
          HN    PHE   45 - HN    LYS+ 111   9.92 +/- 0.19   0.209% *  0.6191% (0.95   0.02   0.02) =   0.001%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 558 (6.86, 7.58, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.859, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HN    LYS+ 111  10.34 +/- 0.23  55.797% * 58.2608% (1.00   0.02   0.02) =  78.086%  kept
          HE22  GLN  116 - HN    LYS+ 111  11.71 +/- 0.65  27.221% * 19.8732% (0.34   0.02   0.02) =  12.995%  kept
          HD2   HIS  122 - HN    LYS+ 111  12.62 +/- 0.23  16.982% * 21.8659% (0.38   0.02   0.02) =   8.920%  kept
    Distance limit 4.68 A violated in 20 structures by 4.69 A, eliminated.
    Peak unassigned.
 
    Peak 559 (4.48, 7.58, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 3.04, residual support = 9.12:
      O   HA    ALA  110 - HN    LYS+ 111   2.64 +/- 0.04  99.215% * 95.7629% (0.45   3.04   9.12) =  99.989%  kept
          HA    VAL  107 - HN    LYS+ 111   5.99 +/- 0.12   0.735% *  1.3547% (0.97   0.02   0.24) =   0.010%
          HA    ALA   91 - HN    LYS+ 111  11.13 +/- 0.65   0.020% *  1.2176% (0.87   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LYS+ 111  10.61 +/- 0.24   0.024% *  0.2778% (0.20   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LYS+ 111  13.58 +/- 0.61   0.006% *  0.4788% (0.34   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LYS+ 111  21.84 +/- 0.41   0.000% *  0.9081% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 560 (4.54, 8.49, 124.18 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 7.1, residual support = 25.5:
      O   HA    LYS+ 111 - HN    LYS+ 112   2.20 +/- 0.00  99.985% * 99.4595% (0.53   7.10  25.46) = 100.000%  kept
          HA    VAL  108 - HN    LYS+ 112   9.61 +/- 0.18   0.014% *  0.3017% (0.57   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    LYS+ 112  15.51 +/- 0.65   0.001% *  0.2389% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 561 (8.17, 8.43, 117.70 ppm):
    5 chemical-shift based assignments, quality = 0.806, support = 4.25, residual support = 21.5:
        T HN    GLU- 114 - HN    ASP- 113   2.64 +/- 0.07  95.053% * 98.7407% (0.81   4.25  21.50) =  99.977%  kept
          HN    GLN  116 - HN    ASP- 113   4.35 +/- 0.10   4.781% *  0.4409% (0.76   0.02   1.50) =   0.022%
          HN    THR  118 - HN    ASP- 113   7.70 +/- 0.12   0.156% *  0.3180% (0.55   0.02   0.02) =   0.001%
          HN    PHE   60 - HN    ASP- 113  12.26 +/- 0.27   0.010% *  0.2021% (0.35   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ASP- 113  23.67 +/- 0.19   0.000% *  0.2982% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 562 (8.43, 8.16, 121.97 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 4.25, residual support = 21.5:
        T HN    ASP- 113 - HN    GLU- 114   2.64 +/- 0.07 100.000% *100.0000% (1.00   4.25  21.50) = 100.000%  kept
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 563 (4.15, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 3.7, residual support = 38.7:
      O   HA    GLU- 114 - HN    GLU- 114   2.82 +/- 0.02  97.141% * 97.9050% (0.97   3.70  38.70) =  99.991%  kept
          HA    LEU  115 - HN    GLU- 114   5.08 +/- 0.09   2.847% *  0.2884% (0.53   0.02  13.72) =   0.009%
          HA    CYS   53 - HN    GLU- 114  12.69 +/- 0.17   0.012% *  0.1692% (0.31   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU- 114  23.29 +/- 0.52   0.000% *  0.4755% (0.87   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU- 114  26.12 +/- 0.30   0.000% *  0.3765% (0.69   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLU- 114  29.82 +/- 0.50   0.000% *  0.5186% (0.95   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLU- 114  26.94 +/- 0.57   0.000% *  0.2668% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 2.09, residual support = 5.62:
          HA    LYS+ 111 - HN    ASP- 113   3.50 +/- 0.11  99.755% * 99.1615% (0.74   2.09   5.62) =  99.999%  kept
          HA    VAL  108 - HN    ASP- 113  10.08 +/- 0.24   0.178% *  0.2731% (0.21   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ASP- 113  12.07 +/- 0.22   0.061% *  0.3736% (0.29   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    ASP- 113  17.68 +/- 0.67   0.006% *  0.1918% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 565 (4.37, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.851, support = 3.2, residual support = 13.6:
      O   HA    ASP- 113 - HN    ASP- 113   2.78 +/- 0.02  99.910% * 97.9721% (0.85   3.20  13.59) = 100.000%  kept
          HA    ILE   56 - HN    ASP- 113   9.42 +/- 0.23   0.066% *  0.3725% (0.52   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    ASP- 113  11.48 +/- 0.38   0.021% *  0.3725% (0.52   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASP- 113  17.17 +/- 0.26   0.002% *  0.2990% (0.41   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASP- 113  23.65 +/- 0.18   0.000% *  0.4918% (0.68   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP- 113  20.30 +/- 0.46   0.001% *  0.0948% (0.13   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP- 113  28.74 +/- 0.37   0.000% *  0.3973% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 0.886, support = 7.28, residual support = 75.8:
        T HN    GLN  116 - HN    LEU  115   2.53 +/- 0.08  48.122% * 70.3782% (0.99   8.18 102.94) =  69.572%  kept
          HN    GLU- 114 - HN    LEU  115   2.50 +/- 0.10  50.633% * 29.2500% (0.65   5.21  13.72) =  30.424%  kept
          HN    THR  118 - HN    LEU  115   4.66 +/- 0.11   1.231% *  0.1642% (0.95   0.02   0.13) =   0.004%
          HN    PHE   60 - HN    LEU  115   9.94 +/- 0.33   0.013% *  0.1326% (0.76   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    LEU  115  19.97 +/- 0.22   0.000% *  0.0482% (0.28   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    LEU  115  26.88 +/- 0.78   0.000% *  0.0268% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 8.18, residual support = 102.9:
        T HN    LEU  115 - HN    GLN  116   2.53 +/- 0.08  99.996% * 99.6632% (0.98   8.18 102.94) = 100.000%  kept
          HN    PHE   97 - HN    GLN  116  13.58 +/- 0.24   0.004% *  0.2436% (0.98   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLN  116  34.57 +/- 2.49   0.000% *  0.0933% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 5.65, residual support = 29.0:
        T HN    SER  117 - HN    GLN  116   2.88 +/- 0.03  99.999% * 99.6352% (0.97   5.65  28.96) = 100.000%  kept
          HN    GLY   16 - HN    GLN  116  23.07 +/- 0.58   0.000% *  0.2925% (0.80   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN  116  27.32 +/- 0.37   0.000% *  0.0723% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 569 (8.18, 8.66, 115.11 ppm):
    6 chemical-shift based assignments, quality = 0.971, support = 4.45, residual support = 18.3:
        T HN    GLN  116 - HN    SER  117   2.88 +/- 0.03  37.856% * 66.6072% (0.99   5.65  28.96) =  55.832%  kept
        T HN    THR  118 - HN    SER  117   2.66 +/- 0.07  60.521% * 32.9544% (0.95   2.93   4.90) =  44.162%  kept
          HN    GLU- 114 - HN    SER  117   4.88 +/- 0.12   1.616% *  0.1538% (0.65   0.02   0.64) =   0.006%
        T HN    PHE   60 - HN    SER  117  12.07 +/- 0.35   0.007% *  0.1817% (0.76   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    SER  117  20.50 +/- 0.23   0.000% *  0.0661% (0.28   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    SER  117  27.67 +/- 0.76   0.000% *  0.0367% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 570 (6.84, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 1.92, residual support = 115.0:
      O   HE22  GLN  116 - HE21  GLN  116   1.73 +/- 0.00  99.995% * 98.0921% (0.95   1.92 114.99) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN  116   9.13 +/- 0.66   0.005% *  1.0407% (0.96   0.02   0.02) =   0.000%
          QD    PHE   45 - HE21  GLN  116  16.85 +/- 0.99   0.000% *  0.5674% (0.53   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN  116  25.37 +/- 1.25   0.000% *  0.2998% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 571 (7.42, 6.83, 111.00 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 1.92, residual support = 115.0:
      O T HE21  GLN  116 - HE22  GLN  116   1.73 +/- 0.00  99.955% * 97.4368% (0.90   1.92 114.99) =  99.999%  kept
          HN    ALA  120 - HE22  GLN  116   6.86 +/- 0.91   0.043% *  1.1075% (0.98   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN  116  11.60 +/- 1.48   0.001% *  0.9437% (0.84   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN  116  12.94 +/- 0.99   0.001% *  0.1979% (0.18   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN  116  26.29 +/- 2.13   0.000% *  0.3141% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.70 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 = 0.998, support = 0.75, residual support = 1.5:
          HA    ASP- 113 - HN    GLN  116   3.66 +/- 0.17  98.464% * 91.8913% (1.00   0.75   1.50) =  99.975%  kept
          HA    PHE   59 - HN    GLN  116   8.39 +/- 0.56   0.742% *  1.4896% (0.61   0.02   0.02) =   0.012%
          HA    ILE   56 - HN    GLN  116   8.36 +/- 0.39   0.732% *  1.4896% (0.61   0.02   0.02) =   0.012%
          HA    LEU  123 - HN    GLN  116  12.91 +/- 0.25   0.054% *  1.1954% (0.49   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLN  116  20.74 +/- 0.23   0.003% *  1.9665% (0.80   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN  116  20.16 +/- 0.41   0.004% *  0.3789% (0.15   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN  116  26.01 +/- 0.31   0.001% *  1.5887% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 573 (4.01, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 7.01, residual support = 115.0:
      O   HA    GLN  116 - HN    GLN  116   2.71 +/- 0.01  99.998% * 98.6428% (1.00   7.01 114.99) = 100.000%  kept
          HA    VAL   70 - HN    GLN  116  19.83 +/- 0.28   0.001% *  0.2815% (1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLN  116  19.65 +/- 0.33   0.001% *  0.1934% (0.69   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN  116  21.94 +/- 0.37   0.000% *  0.0702% (0.25   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    GLN  116  22.18 +/- 0.76   0.000% *  0.0557% (0.20   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN  116  29.28 +/- 0.24   0.000% *  0.2442% (0.87   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN  116  27.24 +/- 0.54   0.000% *  0.1370% (0.49   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN  116  28.74 +/- 0.46   0.000% *  0.1707% (0.61   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN  116  30.35 +/- 0.38   0.000% *  0.2044% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 0.962, support = 7.17, residual support = 206.2:
      O   HA    LEU  115 - HN    LEU  115   2.85 +/- 0.01  79.448% * 69.1510% (1.00   7.42 227.84) =  89.905%  kept
      O   HA    GLU- 114 - HN    LEU  115   3.57 +/- 0.03  20.545% * 30.0262% (0.65   4.97  13.72) =  10.095%  kept
          HA    ARG+  54 - HN    LEU  115  14.60 +/- 0.23   0.004% *  0.1209% (0.65   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU  115  18.08 +/- 0.39   0.001% *  0.0983% (0.53   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU  115  22.19 +/- 0.50   0.000% *  0.1496% (0.80   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU  115  24.26 +/- 0.24   0.000% *  0.1768% (0.95   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU  115  25.53 +/- 0.55   0.000% *  0.1869% (1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU  115  22.32 +/- 0.37   0.000% *  0.0327% (0.18   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU  115  28.11 +/- 0.41   0.000% *  0.0577% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 3.51, residual support = 16.2:
      O   HA    SER  117 - HN    SER  117   2.76 +/- 0.02  99.995% * 96.8236% (0.38   3.51  16.20) = 100.000%  kept
          HA    ASP-  62 - HN    SER  117  14.72 +/- 0.55   0.004% *  1.3920% (0.95   0.02   0.02) =   0.000%
          HB    THR   26 - HN    SER  117  29.20 +/- 0.65   0.000% *  1.1246% (0.76   0.02   0.02) =   0.000%
          HA    SER   82 - HN    SER  117  28.73 +/- 0.39   0.000% *  0.6597% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 5.89, residual support = 48.6:
        T HN    ILE  119 - HN    ALA  120   2.86 +/- 0.07  99.999% * 99.0950% (0.83   5.89  48.63) = 100.000%  kept
          HN    ILE   89 - HN    ALA  120  23.18 +/- 0.49   0.000% *  0.3745% (0.92   0.02   0.02) =   0.000%
          HN    SER   37 - HN    ALA  120  25.40 +/- 0.37   0.000% *  0.3622% (0.89   0.02   0.02) =   0.000%
        T HN    CYS   21 - HN    ALA  120  24.16 +/- 0.40   0.000% *  0.1683% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 577 (7.23, 7.51, 116.39 ppm):
    4 chemical-shift based assignments, quality = 0.802, support = 6.71, residual support = 48.2:
          HN    HIS  122 - HN    LYS+ 121   2.68 +/- 0.05  99.275% * 99.4522% (0.80   6.71  48.17) =  99.999%  kept
          QE    PHE   59 - HN    LYS+ 121   6.12 +/- 0.15   0.716% *  0.0740% (0.20   0.02   0.02) =   0.001%
          HN    PHE   59 - HN    LYS+ 121  12.67 +/- 0.16   0.009% *  0.1799% (0.49   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LYS+ 121  19.20 +/- 0.47   0.001% *  0.2940% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 578 (7.47, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.257, support = 5.31, residual support = 30.6:
          HN    LEU  123 - HN    HIS  122   2.29 +/- 0.18  99.835% * 99.5354% (0.26   5.31  30.64) = 100.000%  kept
          HN    ALA  124 - HN    HIS  122   6.72 +/- 0.13   0.165% *  0.1288% (0.09   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    HIS  122  20.82 +/- 1.18   0.000% *  0.1763% (0.12   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HN    HIS  122  23.91 +/- 0.40   0.000% *  0.1595% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 5.31, residual support = 30.6:
          HN    HIS  122 - HN    LEU  123   2.29 +/- 0.18  99.925% * 99.0429% (0.87   5.31  30.64) = 100.000%  kept
          QE    PHE   59 - HN    LEU  123   7.80 +/- 0.29   0.072% *  0.2265% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LEU  123  13.46 +/- 0.28   0.003% *  0.3860% (0.90   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LEU  123  21.29 +/- 0.47   0.000% *  0.3447% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 4.56, residual support = 14.9:
      O   HA    LEU  123 - HN    ALA  124   2.29 +/- 0.00  99.997% * 97.9012% (1.00   4.56  14.90) = 100.000%  kept
          HA    ILE   56 - HN    ALA  124  18.33 +/- 0.47   0.000% *  0.4263% (0.99   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ALA  124  17.33 +/- 0.34   0.001% *  0.2435% (0.57   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA  124  17.43 +/- 0.63   0.001% *  0.2094% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA  124  19.58 +/- 0.75   0.000% *  0.3857% (0.90   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ALA  124  16.86 +/- 0.56   0.001% *  0.1467% (0.34   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA  124  24.56 +/- 0.74   0.000% *  0.4216% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA  124  21.26 +/- 0.86   0.000% *  0.1328% (0.31   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA  124  25.83 +/- 1.55   0.000% *  0.1328% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 1.9, residual support = 9.51:
      O   HA    ALA  124 - HN    ALA  124   2.67 +/- 0.27  99.995% * 96.0816% (1.00   1.90   9.51) = 100.000%  kept
          HA    LEU  115 - HN    ALA  124  14.84 +/- 0.22   0.004% *  0.4538% (0.45   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA  124  23.73 +/- 0.52   0.000% *  0.9767% (0.97   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA  124  22.56 +/- 0.70   0.000% *  0.3124% (0.31   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA  124  27.09 +/- 0.89   0.000% *  0.6952% (0.69   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA  124  24.51 +/- 0.71   0.000% *  0.1772% (0.18   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA  124  29.78 +/- 0.63   0.000% *  0.4926% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA  124  33.57 +/- 0.50   0.000% *  0.8104% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 582 (4.88, 7.46, 121.46 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 30.6:
      O   HA    HIS  122 - HN    LEU  123   3.38 +/- 0.11  99.990% * 99.3938% (1.00   4.26  30.64) = 100.000%  kept
          HA    VAL   41 - HN    LEU  123  16.47 +/- 0.43   0.008% *  0.3736% (0.80   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    LEU  123  20.91 +/- 0.39   0.002% *  0.1163% (0.25   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LEU  123  23.12 +/- 0.41   0.001% *  0.1163% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 583 (4.38, 7.46, 121.46 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.95, residual support = 194.1:
      O   HA    LEU  123 - HN    LEU  123   2.85 +/- 0.05  99.973% * 98.3816% (1.00   5.95 194.13) = 100.000%  kept
          HA    ASP- 113 - HN    LEU  123  13.60 +/- 0.22   0.009% *  0.1878% (0.57   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU  123  15.12 +/- 0.30   0.005% *  0.3287% (0.99   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    LEU  123  14.96 +/- 0.48   0.005% *  0.1614% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    LEU  123  16.90 +/- 0.57   0.002% *  0.2974% (0.90   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU  123  14.93 +/- 0.30   0.005% *  0.1131% (0.34   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    LEU  123  22.27 +/- 0.55   0.000% *  0.3251% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU  123  20.61 +/- 0.77   0.001% *  0.1024% (0.31   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU  123  25.97 +/- 1.39   0.000% *  0.1024% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 6.34, residual support = 66.7:
          HD2   HIS  122 - HN    HIS  122   2.50 +/- 0.18  99.966% * 97.0682% (0.11   6.34  66.72) = 100.000%  kept
          HE22  GLN  116 - HN    HIS  122  10.06 +/- 0.91   0.033% *  0.3387% (0.12   0.02   0.02) =   0.000%
          HE22  GLN   17 - HN    HIS  122  22.10 +/- 0.92   0.000% *  0.9732% (0.35   0.02   0.02) =   0.000%
          HE22  GLN   90 - HN    HIS  122  27.41 +/- 1.70   0.000% *  0.7587% (0.27   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    HIS  122  29.78 +/- 1.00   0.000% *  0.8612% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 5.03, residual support = 66.7:
      O   HA    HIS  122 - HN    HIS  122   2.90 +/- 0.02  99.993% * 99.2605% (0.30   5.03  66.72) = 100.000%  kept
          HA    VAL   41 - HN    HIS  122  14.73 +/- 0.46   0.006% *  0.4718% (0.35   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    HIS  122  18.75 +/- 0.45   0.001% *  0.2677% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 0.54, support = 5.73, residual support = 253.9:
      O   HA    LYS+ 121 - HN    LYS+ 121   2.78 +/- 0.01  80.325% * 49.2641% (0.49   6.16 312.15) =  81.198%  kept
      O   HA    ALA  120 - HN    LYS+ 121   3.54 +/- 0.01  18.611% * 49.2279% (0.77   3.87   2.55) =  18.800%  kept
          QB    SER  117 - HN    LYS+ 121   5.74 +/- 0.21   1.057% *  0.0733% (0.22   0.02   0.02) =   0.002%
          HA    LYS+  65 - HN    LYS+ 121  14.97 +/- 0.48   0.003% *  0.2365% (0.72   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+ 121  17.19 +/- 0.41   0.001% *  0.1811% (0.55   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LYS+ 121  19.83 +/- 0.74   0.001% *  0.2494% (0.76   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+ 121  25.23 +/- 0.39   0.000% *  0.2494% (0.76   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+ 121  25.10 +/- 0.37   0.000% *  0.2112% (0.64   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+ 121  21.94 +/- 0.23   0.000% *  0.0814% (0.25   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+ 121  24.07 +/- 0.19   0.000% *  0.1387% (0.42   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+ 121  24.04 +/- 0.59   0.000% *  0.0407% (0.12   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+ 121  25.70 +/- 0.48   0.000% *  0.0462% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 589 (3.96, 7.43, 118.69 ppm):
    13 chemical-shift based assignments, quality = 0.739, support = 3.58, residual support = 12.4:
      O   HA    ALA  120 - HN    ALA  120   2.77 +/- 0.03  95.787% * 95.8866% (0.74   3.58  12.36) =  99.992%  kept
          HA    LYS+ 121 - HN    ALA  120   5.18 +/- 0.10   2.258% *  0.2507% (0.35   0.02   2.55) =   0.006%
          QB    SER  117 - HN    ALA  120   5.30 +/- 0.07   1.948% *  0.0904% (0.12   0.02   5.30) =   0.002%
          HA    LYS+  65 - HN    ALA  120  15.33 +/- 0.49   0.003% *  0.6666% (0.92   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA  120  17.54 +/- 0.42   0.002% *  0.2995% (0.41   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ALA  120  20.72 +/- 0.68   0.001% *  0.6666% (0.92   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA  120  21.04 +/- 0.24   0.000% *  0.3515% (0.49   0.02   0.02) =   0.000%
          QB    SER   85 - HN    ALA  120  25.93 +/- 0.39   0.000% *  0.6666% (0.92   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA  120  24.81 +/- 0.36   0.000% *  0.3782% (0.52   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA  120  22.89 +/- 0.18   0.000% *  0.2062% (0.28   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA  120  24.72 +/- 0.58   0.000% *  0.2062% (0.28   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA  120  27.80 +/- 0.50   0.000% *  0.2279% (0.31   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA  120  26.31 +/- 0.26   0.000% *  0.1031% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 592 (1.67, 7.45, 128.80 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 4.65, residual support = 14.9:
          HB2   LEU  123 - HN    ALA  124   4.16 +/- 0.04  99.140% * 96.5639% (0.76   4.65  14.90) =  99.996%  kept
          HB2   LYS+ 121 - HN    ALA  124   9.46 +/- 0.30   0.736% *  0.3943% (0.73   0.02   0.02) =   0.003%
          QD    LYS+  65 - HN    ALA  124  13.54 +/- 0.99   0.095% *  0.4150% (0.76   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA  124  21.01 +/- 0.87   0.006% *  0.5137% (0.95   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ALA  124  21.31 +/- 1.42   0.006% *  0.5137% (0.95   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA  124  23.39 +/- 0.48   0.003% *  0.4348% (0.80   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA  124  21.82 +/- 0.54   0.005% *  0.2643% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    ALA  124  23.47 +/- 0.69   0.003% *  0.1354% (0.25   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    ALA  124  25.69 +/- 0.48   0.002% *  0.2038% (0.38   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ALA  124  24.12 +/- 1.50   0.003% *  0.1075% (0.20   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA  124  31.19 +/- 0.73   0.001% *  0.4536% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 593 (1.36, 7.45, 128.80 ppm):
    16 chemical-shift based assignments, quality = 0.647, support = 1.9, residual support = 9.51:
      O   QB    ALA  124 - HN    ALA  124   2.30 +/- 0.35  99.991% * 87.7363% (0.65   1.90   9.51) = 100.000%  kept
          HB2   LEU   63 - HN    ALA  124  13.27 +/- 0.55   0.004% *  0.5350% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA  124  15.01 +/- 1.36   0.002% *  0.8070% (0.57   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA  124  16.23 +/- 0.55   0.001% *  0.8070% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA  124  19.61 +/- 0.43   0.000% *  1.2365% (0.87   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA  124  19.42 +/- 0.50   0.000% *  1.0894% (0.76   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA  124  18.76 +/- 0.56   0.000% *  0.6938% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA  124  21.68 +/- 0.40   0.000% *  1.2784% (0.90   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA  124  21.39 +/- 0.64   0.000% *  1.0894% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA  124  23.54 +/- 1.75   0.000% *  0.9792% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA  124  23.83 +/- 0.88   0.000% *  0.9221% (0.65   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA  124  25.65 +/- 0.36   0.000% *  1.2365% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA  124  25.62 +/- 1.46   0.000% *  0.6938% (0.49   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA  124  23.66 +/- 2.01   0.000% *  0.2496% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA  124  27.93 +/- 0.71   0.000% *  0.2496% (0.18   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA  124  31.43 +/- 1.01   0.000% *  0.3963% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.979, support = 4.04, residual support = 25.5:
          HA    ALA  120 - HN    LEU  123   2.89 +/- 0.21  82.275% * 70.3383% (0.99   4.21  27.43) =  92.192%  kept
          HA    LYS+ 121 - HN    LEU  123   3.86 +/- 0.24  17.622% * 27.8136% (0.84   1.98   2.34) =   7.808%  kept
          QB    SER  117 - HN    LEU  123   9.00 +/- 0.17   0.091% *  0.1641% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    LEU  123  13.29 +/- 0.62   0.009% *  0.2315% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LEU  123  18.01 +/- 0.81   0.002% *  0.2576% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LEU  123  19.86 +/- 0.42   0.001% *  0.3023% (0.90   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU  123  25.70 +/- 0.32   0.000% *  0.2576% (0.76   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU  123  26.87 +/- 0.37   0.000% *  0.3253% (0.97   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LEU  123  27.55 +/- 0.40   0.000% *  0.2576% (0.76   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU  123  23.95 +/- 0.25   0.000% *  0.0520% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 0.991, support = 4.74, residual support = 30.6:
          HB3   HIS  122 - HN    LEU  123   3.59 +/- 0.45  95.728% * 99.2968% (0.99   4.74  30.64) =  99.985%  kept
          QE    LYS+ 121 - HN    LEU  123   6.83 +/- 0.74   4.270% *  0.3229% (0.76   0.02   2.34) =   0.015%
          HG2   GLN   30 - HN    LEU  123  25.13 +/- 0.52   0.001% *  0.1175% (0.28   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HN    LEU  123  29.76 +/- 0.65   0.000% *  0.2056% (0.49   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LEU  123  29.37 +/- 0.60   0.000% *  0.0572% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (1.85, 7.46, 121.46 ppm):
    14 chemical-shift based assignments, quality = 0.764, support = 5.52, residual support = 194.1:
          HG    LEU  123 - HN    LEU  123   3.53 +/- 0.10  96.584% * 96.6345% (0.76   5.52 194.13) =  99.996%  kept
          QB    LYS+  66 - HN    LEU  123   6.43 +/- 0.62   3.198% *  0.0907% (0.20   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HN    LEU  123  10.74 +/- 0.40   0.126% *  0.3504% (0.76   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU  123  13.02 +/- 0.65   0.041% *  0.3977% (0.87   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU  123  14.29 +/- 0.32   0.022% *  0.2055% (0.45   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU  123  18.46 +/- 0.44   0.005% *  0.3829% (0.84   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU  123  17.60 +/- 0.70   0.007% *  0.1564% (0.34   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU  123  18.77 +/- 0.50   0.004% *  0.2232% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU  123  22.62 +/- 0.33   0.001% *  0.3504% (0.76   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU  123  22.08 +/- 0.66   0.002% *  0.2966% (0.65   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU  123  17.06 +/- 0.34   0.008% *  0.0620% (0.14   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU  123  23.20 +/- 0.75   0.001% *  0.3671% (0.80   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU  123  28.08 +/- 0.81   0.000% *  0.2596% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU  123  28.74 +/- 0.44   0.000% *  0.2232% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 1 structures by 0.01 A, kept.
 
    Peak 597 (1.67, 7.46, 121.46 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 5.84, residual support = 194.1:
      O   HB2   LEU  123 - HN    LEU  123   2.24 +/- 0.08  99.154% * 97.2424% (0.76   5.84 194.13) =  99.997%  kept
          HB2   LYS+ 121 - HN    LEU  123   5.05 +/- 0.24   0.842% *  0.3165% (0.73   0.02   2.34) =   0.003%
          QD    LYS+  65 - HN    LEU  123  13.42 +/- 0.76   0.002% *  0.3331% (0.76   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU  123  18.28 +/- 1.36   0.000% *  0.4123% (0.95   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU  123  17.64 +/- 0.46   0.000% *  0.2121% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU  123  19.89 +/- 0.65   0.000% *  0.4123% (0.95   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU  123  19.68 +/- 0.40   0.000% *  0.3490% (0.80   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU  123  21.54 +/- 0.43   0.000% *  0.1636% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    LEU  123  20.51 +/- 0.75   0.000% *  0.1087% (0.25   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LEU  123  21.27 +/- 1.40   0.000% *  0.0862% (0.20   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LEU  123  27.50 +/- 0.74   0.000% *  0.3640% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 0.897, support = 6.39, residual support = 194.1:
          QD1   LEU  123 - HN    LEU  123   2.20 +/- 0.21  97.827% * 98.8099% (0.90   6.39 194.13) =  99.999%  kept
          QD2   LEU  123 - HN    LEU  123   4.22 +/- 0.10   2.124% *  0.0532% (0.15   0.02 194.13) =   0.001%
          QG1   VAL   70 - HN    LEU  123   9.34 +/- 0.39   0.021% *  0.2370% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    LEU  123  11.99 +/- 0.50   0.005% *  0.3419% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    LEU  123   9.30 +/- 0.73   0.023% *  0.0532% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    LEU  123  15.79 +/- 0.54   0.001% *  0.1953% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LEU  123  17.35 +/- 0.52   0.000% *  0.3094% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 0.268, support = 6.02, residual support = 25.1:
          HA    ALA  120 - HN    HIS  122   3.74 +/- 0.25  41.783% * 57.7437% (0.33   5.51   2.57) =  50.482%  kept
      O   HA    LYS+ 121 - HN    HIS  122   3.53 +/- 0.04  57.734% * 40.9911% (0.20   6.54  48.17) =  49.517%  kept
          QB    SER  117 - HN    HIS  122   7.98 +/- 0.16   0.441% *  0.0552% (0.09   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    HIS  122  12.61 +/- 0.55   0.030% *  0.2044% (0.33   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    HIS  122  17.38 +/- 0.80   0.005% *  0.2137% (0.34   0.02   0.02) =   0.000%
          HB    THR   94 - HN    HIS  122  17.62 +/- 0.40   0.004% *  0.1432% (0.23   0.02   0.02) =   0.000%
          QB    SER   85 - HN    HIS  122  25.53 +/- 0.44   0.000% *  0.2137% (0.34   0.02   0.02) =   0.000%
          QB    SER   48 - HN    HIS  122  25.05 +/- 0.40   0.000% *  0.1692% (0.27   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    HIS  122  22.11 +/- 0.24   0.001% *  0.0755% (0.12   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    HIS  122  24.06 +/- 0.21   0.001% *  0.1078% (0.17   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    HIS  122  24.69 +/- 0.65   0.001% *  0.0438% (0.07   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    HIS  122  24.79 +/- 0.63   0.001% *  0.0388% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 0.264, support = 2.8, residual support = 7.89:
          HA    ILE  119 - HN    HIS  122   3.50 +/- 0.16  89.705% * 48.3502% (0.27   2.70   8.55) =  89.306%  kept
          HA    THR  118 - HN    HIS  122   5.07 +/- 0.15  10.268% * 50.5800% (0.21   3.56   2.32) =  10.694%  kept
          HD3   PRO   58 - HN    HIS  122  14.29 +/- 0.22   0.020% *  0.1301% (0.10   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    HIS  122  17.97 +/- 0.25   0.005% *  0.1444% (0.11   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    HIS  122  21.94 +/- 0.47   0.002% *  0.2462% (0.19   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    HIS  122  23.25 +/- 0.46   0.001% *  0.2277% (0.17   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    HIS  122  27.07 +/- 0.20   0.000% *  0.3214% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 5.15, residual support = 66.7:
      O   HB2   HIS  122 - HN    HIS  122   3.63 +/- 0.03  97.687% * 98.4290% (0.11   5.15  66.72) =  99.994%  kept
          HA    LEU   63 - HN    HIS  122   6.90 +/- 0.46   2.241% *  0.2171% (0.06   0.02   0.02) =   0.005%
          HA    LYS+ 112 - HN    HIS  122  12.12 +/- 0.24   0.071% *  0.7018% (0.20   0.02   0.02) =   0.001%
          HB2   HIS   22 - HN    HIS  122  28.10 +/- 0.54   0.000% *  0.6521% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 0.326, support = 5.81, residual support = 66.7:
      O   HB3   HIS  122 - HN    HIS  122   2.60 +/- 0.10  99.039% * 99.4697% (0.33   5.81  66.72) =  99.998%  kept
          QE    LYS+ 121 - HN    HIS  122   6.04 +/- 0.69   0.961% *  0.2251% (0.21   0.02  48.17) =   0.002%
          HB3   ASP-  78 - HN    HIS  122  27.68 +/- 0.67   0.000% *  0.2401% (0.23   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    HIS  122  23.44 +/- 0.51   0.000% *  0.0650% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 605 (1.66, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.318, support = 7.1, residual support = 46.5:
          HB2   LYS+ 121 - HN    HIS  122   3.35 +/- 0.35  77.514% * 71.9103% (0.33   7.29  48.17) =  90.214%  kept
          HB2   LEU  123 - HN    HIS  122   4.21 +/- 0.14  22.419% * 26.9708% (0.17   5.31  30.64) =   9.786%  kept
          QD    LYS+  65 - HN    HIS  122  12.99 +/- 0.68   0.026% *  0.2013% (0.34   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    HIS  122  16.93 +/- 1.46   0.006% *  0.1515% (0.26   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    HIS  122  19.14 +/- 0.61   0.002% *  0.2067% (0.35   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    HIS  122  14.45 +/- 0.18   0.013% *  0.0365% (0.06   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    HIS  122  17.77 +/- 0.37   0.004% *  0.1097% (0.19   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    HIS  122  16.11 +/- 0.52   0.007% *  0.0520% (0.09   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    HIS  122  19.37 +/- 1.43   0.002% *  0.0857% (0.15   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    HIS  122  16.88 +/- 0.44   0.005% *  0.0322% (0.05   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    HIS  122  25.29 +/- 0.76   0.000% *  0.2067% (0.35   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    HIS  122  19.51 +/- 0.41   0.002% *  0.0365% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 0.346, support = 6.44, residual support = 48.2:
          HB3   LYS+ 121 - HN    HIS  122   3.53 +/- 0.14  89.214% * 98.4684% (0.35   6.44  48.17) =  99.982%  kept
          HD2   LYS+ 121 - HN    HIS  122   5.49 +/- 0.68   9.172% *  0.1283% (0.15   0.02  48.17) =   0.013%
          QD    LYS+  66 - HN    HIS  122   7.21 +/- 0.67   1.516% *  0.2498% (0.28   0.02   0.02) =   0.004%
          HG    LEU  104 - HN    HIS  122  12.82 +/- 0.50   0.040% *  0.3058% (0.35   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    HIS  122  14.43 +/- 0.29   0.019% *  0.2880% (0.33   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    HIS  122  13.62 +/- 1.04   0.031% *  0.1064% (0.12   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    HIS  122  19.62 +/- 0.96   0.003% *  0.2798% (0.32   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    HIS  122  21.11 +/- 0.56   0.002% *  0.0867% (0.10   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    HIS  122  22.27 +/- 1.60   0.002% *  0.0867% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 607 (0.86, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.307, support = 6.22, residual support = 30.6:
          QD1   LEU  123 - HN    HIS  122   2.95 +/- 0.26  99.116% * 98.4645% (0.31   6.22  30.64) =  99.998%  kept
          HB3   LEU   63 - HN    HIS  122   7.53 +/- 0.68   0.556% *  0.2363% (0.23   0.02   0.02) =   0.001%
          QG1   VAL   70 - HN    HIS  122   8.42 +/- 0.38   0.241% *  0.3620% (0.35   0.02   0.02) =   0.001%
          HB3   LEU  104 - HN    HIS  122  10.47 +/- 0.52   0.067% *  0.1921% (0.19   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    HIS  122  14.37 +/- 0.56   0.009% *  0.3644% (0.35   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    HIS  122  16.20 +/- 0.59   0.004% *  0.3168% (0.31   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    HIS  122  15.33 +/- 0.30   0.006% *  0.0640% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 0.521, support = 2.11, residual support = 5.72:
          HA    THR  118 - HN    LYS+ 121   3.10 +/- 0.10  80.379% * 38.2590% (0.49   1.98   7.46) =  72.235%  kept
          HA    ILE  119 - HN    LYS+ 121   3.93 +/- 0.06  19.609% * 60.2811% (0.61   2.47   1.18) =  27.765%  kept
          HD3   PRO   58 - HN    LYS+ 121  14.68 +/- 0.15   0.007% *  0.1775% (0.22   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    LYS+ 121  16.85 +/- 0.21   0.003% *  0.1971% (0.25   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    LYS+ 121  22.65 +/- 0.36   0.001% *  0.3359% (0.42   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    LYS+ 121  23.13 +/- 0.40   0.000% *  0.3108% (0.39   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    LYS+ 121  26.99 +/- 0.17   0.000% *  0.4386% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 609 (1.66, 7.51, 116.39 ppm):
    12 chemical-shift based assignments, quality = 0.758, support = 6.72, residual support = 312.1:
      O   HB2   LYS+ 121 - HN    LYS+ 121   2.63 +/- 0.49  95.664% * 98.1936% (0.76   6.73 312.15) =  99.993%  kept
          HB2   LEU  123 - HN    LYS+ 121   4.77 +/- 0.13   4.311% *  0.1503% (0.39   0.02   2.34) =   0.007%
          QD    LYS+  65 - HN    LYS+ 121  14.98 +/- 0.68   0.004% *  0.2979% (0.77   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+ 121  16.49 +/- 1.44   0.003% *  0.2242% (0.58   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+ 121  14.27 +/- 0.51   0.006% *  0.0770% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+ 121  17.49 +/- 0.31   0.002% *  0.1624% (0.42   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    LYS+ 121  15.03 +/- 0.14   0.004% *  0.0541% (0.14   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LYS+ 121  20.20 +/- 0.62   0.001% *  0.3060% (0.79   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    LYS+ 121  14.97 +/- 0.44   0.004% *  0.0476% (0.12   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LYS+ 121  20.40 +/- 1.21   0.001% *  0.1269% (0.33   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+ 121  18.73 +/- 0.50   0.001% *  0.0541% (0.14   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LYS+ 121  25.54 +/- 0.79   0.000% *  0.3060% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 610 (1.50, 7.51, 116.39 ppm):
    8 chemical-shift based assignments, quality = 0.38, support = 4.03, residual support = 118.6:
          QB    ALA  120 - HN    LYS+ 121   2.95 +/- 0.03  90.432% * 14.4244% (0.22   2.91   2.55) =  62.520%  kept
          HD2   LYS+ 121 - HN    LYS+ 121   4.52 +/- 0.60   9.291% * 84.1609% (0.64   5.89 312.15) =  37.479%  kept
          HG    LEU  115 - HN    LYS+ 121   8.73 +/- 0.75   0.160% *  0.0992% (0.22   0.02   0.02) =   0.001%
          QD    LYS+  66 - HN    LYS+ 121   9.38 +/- 0.66   0.098% *  0.1467% (0.33   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    LYS+ 121  13.01 +/- 0.41   0.013% *  0.1737% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 121  15.78 +/- 1.00   0.004% *  0.3096% (0.70   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+ 121  20.59 +/- 0.61   0.001% *  0.3561% (0.80   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 121  22.22 +/- 0.52   0.001% *  0.3294% (0.74   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 611 (1.15, 7.51, 116.39 ppm):
    6 chemical-shift based assignments, quality = 0.774, support = 5.78, residual support = 312.1:
          HG2   LYS+ 121 - HN    LYS+ 121   3.85 +/- 0.09  92.443% * 99.0553% (0.77   5.78 312.15) =  99.993%  kept
          HG13  ILE  119 - HN    LYS+ 121   5.94 +/- 0.20   7.056% *  0.0703% (0.16   0.02   1.18) =   0.005%
          QG2   VAL  107 - HN    LYS+ 121   9.30 +/- 0.18   0.470% *  0.3523% (0.79   0.02   0.02) =   0.002%
          HG13  ILE  103 - HN    LYS+ 121  15.26 +/- 0.40   0.024% *  0.2299% (0.52   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    LYS+ 121  20.95 +/- 0.42   0.004% *  0.2299% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LYS+ 121  22.58 +/- 0.64   0.002% *  0.0622% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 612 (0.85, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.719, support = 2.21, residual support = 2.34:
          QD1   LEU  123 - HN    LYS+ 121   4.33 +/- 0.07  89.111% * 96.6325% (0.72   2.21   2.34) =  99.973%  kept
          QD2   LEU  123 - HN    LYS+ 121   6.41 +/- 0.11   8.611% *  0.1506% (0.12   0.02   2.34) =   0.015%
          HB3   LEU  104 - HN    LYS+ 121  10.40 +/- 0.27   0.475% *  0.9675% (0.79   0.02   0.02) =   0.005%
          QG1   VAL   70 - HN    LYS+ 121  10.10 +/- 0.27   0.563% *  0.6705% (0.55   0.02   0.02) =   0.004%
          HB3   LEU   63 - HN    LYS+ 121   9.09 +/- 0.64   1.179% *  0.1506% (0.12   0.02   0.02) =   0.002%
          QG1   VAL   18 - HN    LYS+ 121  15.61 +/- 0.49   0.042% *  0.5527% (0.45   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LYS+ 121  17.69 +/- 0.50   0.020% *  0.8755% (0.72   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 613 (2.04, 7.43, 118.69 ppm):
    11 chemical-shift based assignments, quality = 0.905, support = 5.12, residual support = 48.6:
          HB    ILE  119 - HN    ALA  120   2.66 +/- 0.14  99.976% * 97.5191% (0.90   5.12  48.63) = 100.000%  kept
          HB2   LYS+ 111 - HN    ALA  120  11.71 +/- 0.53   0.015% *  0.1199% (0.28   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA  120  14.65 +/- 0.54   0.004% *  0.3245% (0.77   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ALA  120  17.49 +/- 0.49   0.001% *  0.2356% (0.56   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA  120  16.69 +/- 0.29   0.002% *  0.1742% (0.41   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA  120  19.75 +/- 0.32   0.001% *  0.2969% (0.71   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ALA  120  22.88 +/- 0.45   0.000% *  0.3876% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ALA  120  24.45 +/- 0.79   0.000% *  0.3808% (0.90   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ALA  120  25.40 +/- 0.71   0.000% *  0.3675% (0.87   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ALA  120  20.48 +/- 0.67   0.001% *  0.0969% (0.23   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ALA  120  21.50 +/- 0.45   0.000% *  0.0969% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 614 (1.49, 7.43, 118.69 ppm):
    9 chemical-shift based assignments, quality = 0.486, support = 3.51, residual support = 12.4:
      O   QB    ALA  120 - HN    ALA  120   1.98 +/- 0.03  99.874% * 95.4664% (0.49   3.51  12.36) =  99.999%  kept
          HD2   LYS+ 121 - HN    ALA  120   6.89 +/- 0.78   0.071% *  0.5439% (0.49   0.02   2.55) =   0.000%
          HG    LEU  115 - HN    ALA  120   7.42 +/- 0.53   0.041% *  0.5439% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA  120   9.41 +/- 0.68   0.010% *  0.2046% (0.18   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  120  11.28 +/- 0.93   0.003% *  0.1595% (0.14   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA  120  15.25 +/- 0.40   0.000% *  0.7901% (0.71   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA  120  15.70 +/- 1.11   0.000% *  0.6271% (0.56   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA  120  21.12 +/- 0.60   0.000% *  0.9544% (0.85   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA  120  23.25 +/- 0.53   0.000% *  0.7102% (0.63   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (0.97, 7.43, 118.69 ppm):
    8 chemical-shift based assignments, quality = 0.486, support = 5.77, residual support = 48.6:
          QG2   ILE  119 - HN    ALA  120   2.97 +/- 0.28  99.777% * 96.6960% (0.49   5.77  48.63) =  99.999%  kept
          QD1   LEU   67 - HN    ALA  120   8.81 +/- 0.35   0.167% *  0.5101% (0.74   0.02   0.02) =   0.001%
          QD2   LEU   40 - HN    ALA  120  11.80 +/- 0.48   0.029% *  0.4869% (0.71   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    ALA  120  13.00 +/- 0.26   0.016% *  0.5714% (0.83   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    ALA  120  15.27 +/- 0.70   0.006% *  0.4626% (0.67   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ALA  120  17.67 +/- 0.30   0.003% *  0.5321% (0.77   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ALA  120  21.58 +/- 0.93   0.001% *  0.6148% (0.89   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ALA  120  21.18 +/- 0.60   0.001% *  0.1261% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 616 (3.96, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.249, support = 3.02, residual support = 16.2:
      O   QB    SER  117 - HN    SER  117   2.11 +/- 0.06  99.943% * 84.3792% (0.25   3.02  16.20) =  99.999%  kept
          HA    ALA  120 - HN    SER  117   7.88 +/- 0.08   0.037% *  2.1178% (0.95   0.02   5.30) =   0.001%
          HA    LYS+ 121 - HN    SER  117   8.91 +/- 0.18   0.018% *  1.2675% (0.57   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER  117  15.09 +/- 0.34   0.001% *  1.4483% (0.65   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER  117  18.54 +/- 0.44   0.000% *  2.0667% (0.92   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER  117  18.49 +/- 0.37   0.000% *  0.7637% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER  117  20.67 +/- 0.34   0.000% *  1.0897% (0.49   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER  117  22.70 +/- 0.50   0.000% *  1.7109% (0.76   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER  117  23.69 +/- 0.44   0.000% *  2.1606% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER  117  24.01 +/- 0.68   0.000% *  2.1606% (0.97   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER  117  21.70 +/- 0.64   0.000% *  0.3921% (0.18   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER  117  28.80 +/- 0.48   0.000% *  0.4431% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.381, support = 5.17, residual support = 29.0:
          HG3   GLN  116 - HN    SER  117   4.97 +/- 0.07  42.532% * 69.0635% (0.49   5.05  28.96) =  63.249%  kept
          HG2   GLN  116 - HN    SER  117   4.73 +/- 0.08  57.027% * 29.9275% (0.20   5.38  28.96) =  36.749%  kept
          HB3   PHE   95 - HN    SER  117  10.70 +/- 0.22   0.432% *  0.1401% (0.25   0.02   0.02) =   0.001%
          HB3   TRP   87 - HN    SER  117  20.55 +/- 0.39   0.009% *  0.3181% (0.57   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    SER  117  33.92 +/- 0.48   0.000% *  0.5508% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 618 (2.36, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 4.9, residual support = 29.0:
          HB2   GLN  116 - HN    SER  117   2.73 +/- 0.09  99.988% * 98.7762% (0.97   4.90  28.96) = 100.000%  kept
          HB3   PHE   97 - HN    SER  117  13.38 +/- 0.25   0.007% *  0.4175% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    SER  117  14.70 +/- 0.55   0.004% *  0.3031% (0.73   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    SER  117  22.85 +/- 0.71   0.000% *  0.3744% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    SER  117  25.73 +/- 0.62   0.000% *  0.1288% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 620 (2.53, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 7.1, residual support = 115.0:
          HG2   GLN  116 - HN    GLN  116   2.70 +/- 0.29  99.950% * 99.4111% (0.73   7.10 114.99) = 100.000%  kept
          HB3   PHE   95 - HN    GLN  116   9.89 +/- 0.21   0.050% *  0.3089% (0.80   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    GLN  116  33.04 +/- 0.46   0.000% *  0.2801% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 621 (2.37, 8.17, 116.99 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 7.63, residual support = 115.0:
      O   HB2   GLN  116 - HN    GLN  116   2.24 +/- 0.08  99.994% * 99.1541% (0.98   7.63 114.99) = 100.000%  kept
          HB2   PRO   58 - HN    GLN  116  12.33 +/- 0.59   0.004% *  0.1189% (0.45   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLN  116  13.90 +/- 0.26   0.002% *  0.2379% (0.90   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN  116  23.99 +/- 0.59   0.000% *  0.2652% (1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN  116  24.13 +/- 0.64   0.000% *  0.1502% (0.57   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    GLN  116  27.50 +/- 0.67   0.000% *  0.0737% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.795, support = 7.36, residual support = 97.4:
          HB2   LEU  115 - HN    GLN  116   3.36 +/- 0.31  85.734% * 66.7618% (0.80   7.54 102.94) =  94.592%  kept
          QB    GLU- 114 - HN    GLN  116   4.89 +/- 0.14  10.106% * 32.3674% (0.69   4.26   0.22) =   5.406%  kept
          HB2   LYS+ 111 - HN    GLN  116   5.77 +/- 0.51   4.075% *  0.0341% (0.15   0.02   0.02) =   0.002%
          HG3   PRO   58 - HN    GLN  116  11.46 +/- 0.55   0.065% *  0.1848% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    GLN  116  15.59 +/- 0.64   0.010% *  0.0910% (0.41   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLN  116  20.01 +/- 0.49   0.002% *  0.1848% (0.84   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLN  116  22.44 +/- 0.29   0.001% *  0.1691% (0.76   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    GLN  116  18.62 +/- 0.79   0.003% *  0.0438% (0.20   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLN  116  22.29 +/- 0.50   0.001% *  0.0438% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLN  116  22.74 +/- 0.63   0.001% *  0.0438% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN  116  32.12 +/- 0.37   0.000% *  0.0755% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 623 (1.46, 8.17, 116.99 ppm):
    10 chemical-shift based assignments, quality = 0.798, support = 8.58, residual support = 102.9:
          HG    LEU  115 - HN    GLN  116   2.96 +/- 1.06  75.951% * 43.1976% (0.73   8.67 102.94) =  71.738%  kept
          HB3   LEU  115 - HN    GLN  116   4.04 +/- 0.41  23.034% * 56.1102% (0.98   8.34 102.94) =  28.260%  kept
          QB    ALA  120 - HN    GLN  116   6.93 +/- 0.14   0.965% *  0.0996% (0.73   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    GLN  116  11.79 +/- 0.53   0.028% *  0.0515% (0.38   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    GLN  116  14.76 +/- 1.06   0.008% *  0.1372% (1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    GLN  116  16.92 +/- 0.40   0.004% *  0.1345% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN  116  15.98 +/- 0.65   0.006% *  0.0306% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    GLN  116  18.23 +/- 0.29   0.003% *  0.0668% (0.49   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    GLN  116  20.77 +/- 0.89   0.001% *  0.0777% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    GLN  116  22.21 +/- 1.81   0.001% *  0.0943% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 624 (0.45, 8.17, 116.99 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 7.61, residual support = 102.9:
          QD1   LEU  115 - HN    GLN  116   4.05 +/- 0.29  99.979% * 99.6304% (0.49   7.61 102.94) = 100.000%  kept
          QG1   VAL   75 - HN    GLN  116  16.92 +/- 0.79   0.021% *  0.3696% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 625 (0.58, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 0.566, support = 10.0, residual support = 102.9:
          QD2   LEU  115 - HN    GLN  116   2.46 +/- 0.27  99.707% * 98.5890% (0.57  10.00 102.94) =  99.999%  kept
          QD1   LEU   63 - HN    GLN  116   7.59 +/- 0.72   0.165% *  0.3124% (0.90   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    GLN  116   8.08 +/- 0.87   0.121% *  0.2910% (0.84   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    GLN  116  14.82 +/- 0.40   0.003% *  0.1075% (0.31   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    GLN  116  18.61 +/- 0.37   0.001% *  0.3124% (0.90   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    GLN  116  16.65 +/- 0.26   0.001% *  0.0969% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    GLN  116  15.87 +/- 1.17   0.002% *  0.0538% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    GLN  116  21.60 +/- 0.83   0.000% *  0.1833% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    GLN  116  21.14 +/- 1.39   0.000% *  0.0538% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.44 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 = 0.725, support = 1.5, residual support = 14.9:
          QD1   ILE  119 - HN    GLN  116   4.54 +/- 0.18  87.342% * 95.8797% (0.73   1.50  14.93) =  99.885%  kept
          HG3   LYS+ 112 - HN    GLN  116   6.39 +/- 0.16  11.521% *  0.6607% (0.38   0.02   0.02) =   0.091%
          QG2   VAL  108 - HN    GLN  116   9.56 +/- 0.51   1.082% *  1.7605% (1.00   0.02   0.02) =   0.023%
          HB2   LEU  104 - HN    GLN  116  15.54 +/- 0.27   0.055% *  1.6990% (0.97   0.02   0.02) =   0.001%
    Distance limit 5.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 627 (3.45, 8.40, 122.87 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 0.75, residual support = 2.15:
          HA    LYS+ 112 - HN    LEU  115   3.24 +/- 0.14  99.967% * 94.6610% (0.90   0.75   2.15) =  99.999%  kept
          HB2   HIS  122 - HN    LEU  115  13.14 +/- 0.24   0.023% *  2.8147% (1.00   0.02   0.02) =   0.001%
          HB    THR   46 - HN    LEU  115  15.20 +/- 0.41   0.010% *  2.5243% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 628 (2.34, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.223, support = 5.22, residual support = 102.9:
          HB2   GLN  116 - HN    LEU  115   4.39 +/- 0.06  99.578% * 95.8069% (0.22   5.23 102.94) =  99.996%  kept
          HB2   PRO   58 - HN    LEU  115  13.24 +/- 0.39   0.136% *  1.3189% (0.80   0.02   0.02) =   0.002%
          HG2   PRO   52 - HN    LEU  115  13.34 +/- 0.50   0.132% *  0.7385% (0.45   0.02   0.02) =   0.001%
          HB3   PHE   97 - HN    LEU  115  13.09 +/- 0.27   0.144% *  0.5619% (0.34   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    LEU  115  23.08 +/- 0.49   0.005% *  0.2541% (0.15   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    LEU  115  23.15 +/- 0.62   0.005% *  0.2541% (0.15   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    LEU  115  32.40 +/- 0.36   0.001% *  1.0656% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 629 (1.99, 8.40, 122.87 ppm):
    11 chemical-shift based assignments, quality = 0.788, support = 7.12, residual support = 204.6:
      O   HB2   LEU  115 - HN    LEU  115   2.15 +/- 0.08  78.860% * 63.6922% (0.80   7.40 227.84) =  89.154%  kept
          QB    GLU- 114 - HN    LEU  115   2.79 +/- 0.12  17.228% * 35.4619% (0.69   4.80  13.72) =  10.844%  kept
          HB2   LYS+ 111 - HN    LEU  115   3.66 +/- 0.50   3.909% *  0.0332% (0.15   0.02   0.02) =   0.002%
          HG3   PRO   58 - HN    LEU  115  12.20 +/- 0.37   0.002% *  0.1796% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    LEU  115  15.86 +/- 0.60   0.001% *  0.0884% (0.41   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LEU  115  20.91 +/- 0.42   0.000% *  0.1796% (0.84   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU  115  21.70 +/- 0.25   0.000% *  0.1643% (0.76   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU  115  18.30 +/- 0.78   0.000% *  0.0425% (0.20   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU  115  22.27 +/- 0.46   0.000% *  0.0425% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU  115  22.81 +/- 0.64   0.000% *  0.0425% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU  115  30.57 +/- 0.35   0.000% *  0.0733% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 0.875, support = 7.57, residual support = 227.8:
      O   HB3   LEU  115 - HN    LEU  115   3.26 +/- 0.28  51.664% * 56.5863% (0.98   7.52 227.84) =  58.733%  kept
          HG    LEU  115 - HN    LEU  115   3.50 +/- 0.77  48.173% * 42.6390% (0.73   7.65 227.84) =  41.267%  kept
          QB    ALA  120 - HN    LEU  115   8.47 +/- 0.08   0.140% *  0.1115% (0.73   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU  115  15.22 +/- 0.95   0.004% *  0.1536% (1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU  115  12.97 +/- 0.47   0.011% *  0.0576% (0.38   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU  115  16.48 +/- 0.45   0.003% *  0.1505% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU  115  17.96 +/- 0.26   0.002% *  0.0748% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU  115  16.27 +/- 0.62   0.003% *  0.0342% (0.22   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU  115  19.69 +/- 0.91   0.001% *  0.0870% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU  115  21.08 +/- 1.84   0.001% *  0.1055% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.526, support = 1.5, residual support = 5.03:
          QG2   VAL  107 - HN    LEU  115   3.63 +/- 0.17  93.560% * 91.8875% (0.53   1.50   5.03) =  99.944%  kept
          HG13  ILE  119 - HN    LEU  115   7.24 +/- 0.61   1.750% *  1.6910% (0.73   0.02  12.86) =   0.034%
          HD3   LYS+ 112 - HN    LEU  115   6.07 +/- 0.21   4.571% *  0.3593% (0.15   0.02   2.15) =   0.019%
          HG2   LYS+ 121 - HN    LEU  115  11.51 +/- 0.39   0.096% *  1.7797% (0.76   0.02   0.02) =   0.002%
          QB    ALA   20 - HN    LEU  115  19.85 +/- 0.43   0.004% *  2.3236% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LEU  115  15.12 +/- 0.29   0.019% *  0.3593% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LEU  115  23.58 +/- 0.56   0.001% *  1.5996% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 632 (0.61, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 9.09, residual support = 227.8:
          QD2   LEU  115 - HN    LEU  115   3.66 +/- 0.37  98.064% * 98.8270% (0.65   9.09 227.84) =  99.998%  kept
          QD1   LEU   63 - HN    LEU  115   7.50 +/- 0.63   1.800% *  0.1038% (0.31   0.02   0.02) =   0.002%
          QG2   ILE   89 - HN    LEU  115  12.01 +/- 0.26   0.088% *  0.1147% (0.34   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU  115  14.41 +/- 0.30   0.031% *  0.3016% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU  115  19.89 +/- 0.75   0.004% *  0.3181% (0.95   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU  115  20.12 +/- 0.81   0.004% *  0.2310% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU  115  17.63 +/- 0.37   0.009% *  0.1038% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.65 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 = 7.42, residual support = 227.8:
          QD1   LEU  115 - HN    LEU  115   3.91 +/- 0.21  99.972% * 99.6825% (0.80   7.42 227.84) = 100.000%  kept
          QG1   VAL   75 - HN    LEU  115  15.41 +/- 0.76   0.028% *  0.3175% (0.95   0.02   0.02) =   0.000%
    Distance limit 4.74 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 = 0.568, support = 6.72, residual support = 137.4:
      O   HB    ILE  103 - HN    ILE  103   2.09 +/- 0.05  89.460% * 38.5555% (0.53   6.70 137.42) =  84.594%  kept
          HG12  ILE  103 - HN    ILE  103   3.02 +/- 0.23  10.439% * 60.1713% (0.80   6.87 137.42) =  15.406%  kept
          HB    VAL   41 - HN    ILE  103   8.70 +/- 1.13   0.021% *  0.1415% (0.65   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ILE  103   7.06 +/- 0.40   0.065% *  0.0433% (0.20   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE  103   9.05 +/- 0.18   0.014% *  0.0981% (0.45   0.02   5.31) =   0.000%
          QB    LYS+  33 - HN    ILE  103  15.42 +/- 0.50   0.001% *  0.0746% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    ILE  103  17.82 +/- 0.37   0.000% *  0.0981% (0.45   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ILE  103  21.80 +/- 0.42   0.000% *  0.2145% (0.98   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE  103  22.17 +/- 0.31   0.000% *  0.1239% (0.57   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE  103  19.92 +/- 0.82   0.000% *  0.0608% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ILE  103  24.84 +/- 0.33   0.000% *  0.2145% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE  103  19.84 +/- 0.55   0.000% *  0.0487% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    ILE  103  20.12 +/- 0.30   0.000% *  0.0487% (0.22   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ILE  103  28.32 +/- 0.41   0.000% *  0.1065% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 6.19, residual support = 137.4:
          HG13  ILE  103 - HN    ILE  103   3.98 +/- 0.11  99.615% * 98.5359% (0.65   6.19 137.42) =  99.999%  kept
          QG2   VAL  107 - HN    ILE  103  12.64 +/- 0.28   0.099% *  0.4876% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    ILE  103  14.34 +/- 0.40   0.047% *  0.4748% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  103  11.13 +/- 0.57   0.223% *  0.0862% (0.18   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  103  19.62 +/- 0.38   0.007% *  0.3182% (0.65   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ILE  103  18.87 +/- 0.38   0.009% *  0.0974% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 1 structures by 0.01 A, kept.
 
    Peak 636 (0.98, 8.62, 122.05 ppm):
    8 chemical-shift based assignments, quality = 0.834, support = 6.08, residual support = 137.4:
          QG2   ILE  103 - HN    ILE  103   3.52 +/- 0.06  48.104% * 70.5552% (1.00   6.27 137.42) =  69.889%  kept
          QD1   ILE  103 - HN    ILE  103   3.40 +/- 0.72  51.297% * 28.5035% (0.45   5.65 137.42) =  30.108%  kept
          QD2   LEU   40 - HN    ILE  103   7.36 +/- 0.23   0.557% *  0.2173% (0.97   0.02   0.02) =   0.002%
          QD1   LEU   67 - HN    ILE  103  12.15 +/- 0.27   0.026% *  0.2207% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ILE  103  15.37 +/- 0.41   0.007% *  0.1275% (0.57   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ILE  103  16.09 +/- 0.41   0.005% *  0.0926% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ILE  103  21.36 +/- 0.48   0.001% *  0.2207% (0.98   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    ILE  103  17.40 +/- 0.17   0.003% *  0.0626% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 637 (1.55, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 7.41, residual support = 218.6:
          HG    LEU  104 - HN    LEU  104   2.91 +/- 0.36  98.553% * 97.6123% (0.45   7.41 218.62) =  99.994%  kept
          HG2   LYS+ 106 - HN    LEU  104   6.52 +/- 0.54   1.376% *  0.4036% (0.69   0.02   0.02) =   0.006%
          HB3   LYS+ 121 - HN    LEU  104  10.53 +/- 0.47   0.059% *  0.2634% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LEU  104  15.85 +/- 1.21   0.005% *  0.5824% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    LEU  104  15.74 +/- 0.28   0.005% *  0.3327% (0.57   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LEU  104  19.02 +/- 0.48   0.002% *  0.3564% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    LEU  104  20.53 +/- 0.46   0.001% *  0.4491% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 638 (1.00, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.248, support = 7.22, residual support = 179.4:
      O   HB2   LEU  104 - HN    LEU  104   2.34 +/- 0.13  81.158% * 41.4723% (0.22   7.38 218.62) =  78.514%  kept
          QG2   ILE  103 - HN    LEU  104   3.13 +/- 0.20  16.096% * 57.1836% (0.34   6.64  36.29) =  21.470%  kept
          QD2   LEU   40 - HN    LEU  104   4.16 +/- 0.28   2.710% *  0.2457% (0.49   0.02   0.02) =   0.016%
          QD1   LEU   67 - HN    LEU  104   8.58 +/- 0.27   0.034% *  0.2263% (0.45   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    LEU  104  15.00 +/- 0.45   0.001% *  0.5004% (0.99   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    LEU  104  14.29 +/- 0.18   0.002% *  0.2457% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU  104  19.13 +/- 0.55   0.000% *  0.1259% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 639 (0.72, 9.38, 128.74 ppm):
    5 chemical-shift based assignments, quality = 0.787, support = 7.43, residual support = 192.3:
          QD2   LEU  104 - HN    LEU  104   3.11 +/- 0.69  79.830% * 63.6935% (0.80   7.76 218.62) =  87.499%  kept
          QD1   LEU   98 - HN    LEU  104   4.14 +/- 0.45  20.143% * 36.0649% (0.69   5.12   7.79) =  12.501%  kept
          QD1   ILE   19 - HN    LEU  104  15.60 +/- 0.54   0.007% *  0.1327% (0.65   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LEU  104  14.34 +/- 1.00   0.014% *  0.0457% (0.22   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU  104  16.40 +/- 0.64   0.006% *  0.0633% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 0.687, support = 7.73, residual support = 59.1:
          HB2   PHE   97 - HN    ASP- 105   1.97 +/- 0.12  99.726% * 98.8592% (0.69   7.73  59.09) = 100.000%  kept
          QE    LYS+ 106 - HN    ASP- 105   6.15 +/- 0.96   0.212% *  0.0928% (0.25   0.02  20.85) =   0.000%
          QE    LYS+  99 - HN    ASP- 105   7.44 +/- 0.83   0.044% *  0.3337% (0.90   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ASP- 105   8.59 +/- 0.61   0.016% *  0.1530% (0.41   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ASP- 105  15.43 +/- 0.59   0.000% *  0.2407% (0.65   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ASP- 105  16.69 +/- 0.56   0.000% *  0.2702% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ASP- 105  13.67 +/- 0.39   0.001% *  0.0504% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 5.15, residual support = 59.1:
          HB3   PHE   97 - HN    ASP- 105   3.18 +/- 0.40  99.869% * 98.6013% (0.90   5.15  59.09) =  99.999%  kept
          HB2   GLU- 100 - HN    ASP- 105  10.38 +/- 0.67   0.113% *  0.4274% (1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    ASP- 105  15.45 +/- 0.26   0.009% *  0.4189% (0.98   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    ASP- 105  16.89 +/- 0.61   0.005% *  0.1188% (0.28   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    ASP- 105  21.02 +/- 0.73   0.001% *  0.2420% (0.57   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ASP- 105  20.77 +/- 0.26   0.002% *  0.1916% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 4.71, residual support = 40.4:
      O   HB2   ASP- 105 - HN    ASP- 105   3.89 +/- 0.07  99.572% * 97.4680% (0.80   4.71  40.39) =  99.999%  kept
          HG2   GLU- 100 - HN    ASP- 105  11.52 +/- 0.38   0.152% *  0.2518% (0.49   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP- 105  12.96 +/- 0.41   0.074% *  0.3553% (0.69   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ASP- 105  12.56 +/- 0.47   0.091% *  0.1024% (0.20   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ASP- 105  13.46 +/- 0.57   0.061% *  0.1438% (0.28   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ASP- 105  19.56 +/- 0.41   0.006% *  0.5173% (1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP- 105  16.64 +/- 0.87   0.018% *  0.1764% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP- 105  20.84 +/- 0.47   0.004% *  0.5070% (0.98   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    ASP- 105  20.90 +/- 0.45   0.004% *  0.2929% (0.57   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP- 105  17.67 +/- 1.54   0.013% *  0.0700% (0.14   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP- 105  21.46 +/- 1.35   0.004% *  0.1152% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.64 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 = 0.788, support = 4.42, residual support = 38.2:
      O   HB3   ASP- 105 - HN    ASP- 105   3.06 +/- 0.19  88.534% * 41.6371% (0.76   4.39  40.39) =  89.041%  kept
          QB    LYS+ 106 - HN    ASP- 105   4.63 +/- 0.16   8.020% * 56.4945% (0.98   4.65  20.85) =  10.945%  kept
          HB    ILE  103 - HN    ASP- 105   5.42 +/- 0.32   3.415% *  0.1704% (0.69   0.02   5.31) =   0.014%
          HB3   LYS+  38 - HN    ASP- 105  14.75 +/- 0.52   0.008% *  0.1801% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP- 105  15.85 +/- 0.41   0.005% *  0.2151% (0.87   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP- 105  15.57 +/- 0.69   0.006% *  0.1305% (0.53   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASP- 105  16.82 +/- 0.23   0.003% *  0.2151% (0.87   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ASP- 105  17.88 +/- 0.33   0.002% *  0.1604% (0.65   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP- 105  19.42 +/- 0.65   0.001% *  0.2289% (0.92   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP- 105  20.31 +/- 0.38   0.001% *  0.2393% (0.97   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASP- 105  17.70 +/- 0.52   0.002% *  0.0931% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASP- 105  19.50 +/- 0.28   0.001% *  0.0552% (0.22   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP- 105  23.90 +/- 0.39   0.000% *  0.1801% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 0.524, support = 5.77, residual support = 31.3:
          HG    LEU  104 - HN    ASP- 105   4.65 +/- 0.21  65.346% * 51.5380% (0.45   6.61  36.20) =  68.358%  kept
          HG2   LYS+ 106 - HN    ASP- 105   5.24 +/- 0.23  32.960% * 47.2875% (0.69   3.96  20.85) =  31.636%  kept
          HB3   LYS+ 121 - HN    ASP- 105   8.73 +/- 0.38   1.529% *  0.1560% (0.45   0.02   0.02) =   0.005%
          HB3   LYS+ 111 - HN    ASP- 105  13.50 +/- 0.20   0.109% *  0.1969% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    ASP- 105  17.15 +/- 1.24   0.028% *  0.3448% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ASP- 105  18.09 +/- 0.51   0.019% *  0.2110% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    ASP- 105  20.20 +/- 0.38   0.010% *  0.2659% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.74 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 = 0.274, support = 4.95, residual support = 22.7:
          HB2   LEU  104 - HN    ASP- 105   2.80 +/- 0.20  45.597% * 58.0316% (0.22   6.53  36.20) =  56.200%  kept
          QG2   ILE  103 - HN    ASP- 105   2.74 +/- 0.32  51.733% * 39.8431% (0.34   2.93   5.31) =  43.778%  kept
          QD2   LEU   40 - HN    ASP- 105   4.51 +/- 0.26   2.578% *  0.3886% (0.49   0.02   0.02) =   0.021%
          QD1   LEU   67 - HN    ASP- 105   7.86 +/- 0.30   0.085% *  0.3579% (0.45   0.02   0.02) =   0.001%
          QD1   ILE  119 - HN    ASP- 105  12.53 +/- 0.18   0.005% *  0.3886% (0.49   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ASP- 105  14.49 +/- 0.45   0.002% *  0.7912% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ASP- 105  18.40 +/- 0.59   0.001% *  0.1991% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 646 (2.24, 8.97, 118.18 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 3.72, residual support = 20.8:
          HB2   ASP- 105 - HN    LYS+ 106   2.75 +/- 0.17  99.810% * 97.7606% (0.98   3.72  20.85) = 100.000%  kept
          HB2   MET   96 - HN    LYS+ 106   8.27 +/- 0.30   0.148% *  0.1657% (0.31   0.02   2.26) =   0.000%
          HG12  ILE  119 - HN    LYS+ 106  10.76 +/- 0.29   0.030% *  0.2207% (0.41   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    LYS+ 106  15.83 +/- 0.39   0.003% *  0.4103% (0.76   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    LYS+ 106  16.53 +/- 0.56   0.002% *  0.4815% (0.90   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LYS+ 106  15.33 +/- 1.21   0.005% *  0.0828% (0.15   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LYS+ 106  20.59 +/- 0.39   0.001% *  0.4484% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    LYS+ 106  23.80 +/- 0.49   0.000% *  0.4299% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.92, support = 4.77, residual support = 100.9:
      O   QB    LYS+ 106 - HN    LYS+ 106   3.29 +/- 0.21  57.938% * 63.8987% (0.98   5.23 131.61) =  72.246%  kept
          HB3   ASP- 105 - HN    LYS+ 106   3.51 +/- 0.32  41.554% * 34.2229% (0.76   3.59  20.85) =  27.752%  kept
          HB    ILE  103 - HN    LYS+ 106   7.40 +/- 0.33   0.478% *  0.1713% (0.69   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    LYS+ 106  14.18 +/- 0.28   0.009% *  0.2163% (0.87   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+ 106  14.73 +/- 0.58   0.008% *  0.0936% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+ 106  17.75 +/- 0.86   0.003% *  0.2302% (0.92   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+ 106  19.06 +/- 0.40   0.002% *  0.2163% (0.87   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+ 106  19.02 +/- 0.49   0.002% *  0.1811% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+ 106  19.97 +/- 0.39   0.001% *  0.2406% (0.97   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+ 106  18.38 +/- 0.58   0.002% *  0.1312% (0.53   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+ 106  19.98 +/- 0.34   0.001% *  0.1613% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+ 106  17.80 +/- 0.26   0.002% *  0.0555% (0.22   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+ 106  21.81 +/- 0.54   0.001% *  0.1811% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 2.16, residual support = 2.26:
          QG2   THR  118 - HN    LYS+ 106   4.63 +/- 0.04 100.000% *100.0000% (0.53   2.16   2.26) = 100.000%  kept
    Distance limit 4.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 651 (3.20, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.31, residual support = 50.4:
          HB2   PHE   95 - HN    VAL  107   2.54 +/- 0.28 100.000% *100.0000% (1.00   2.31  50.43) = 100.000%  kept
    Distance limit 4.62 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 = 56.6:
      O   HB    VAL  107 - HN    VAL  107   2.35 +/- 0.04  99.971% * 98.4307% (0.99   3.33  56.62) = 100.000%  kept
          HB3   PHE   45 - HN    VAL  107   9.81 +/- 0.21   0.019% *  0.4093% (0.69   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    VAL  107  11.09 +/- 0.32   0.009% *  0.4093% (0.69   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    VAL  107  20.02 +/- 0.88   0.000% *  0.4093% (0.69   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    VAL  107  18.27 +/- 0.61   0.000% *  0.2236% (0.38   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    VAL  107  23.83 +/- 0.85   0.000% *  0.1179% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 653 (1.88, 9.57, 125.50 ppm):
    13 chemical-shift based assignments, quality = 0.526, support = 4.27, residual support = 19.8:
          QB    LYS+ 106 - HN    VAL  107   3.12 +/- 0.19  96.534% * 94.4472% (0.53   4.27  19.85) =  99.991%  kept
          HB3   ASP- 105 - HN    VAL  107   5.84 +/- 0.57   3.177% *  0.2097% (0.25   0.02   0.02) =   0.007%
          HB    ILE   56 - HN    VAL  107  10.69 +/- 0.26   0.062% *  0.7765% (0.92   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    VAL  107  10.98 +/- 0.54   0.054% *  0.7544% (0.90   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    VAL  107   9.51 +/- 0.44   0.140% *  0.1665% (0.20   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    VAL  107  14.36 +/- 0.74   0.012% *  0.3458% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    VAL  107  15.55 +/- 0.29   0.006% *  0.6108% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    VAL  107  17.11 +/- 0.47   0.004% *  0.8245% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    VAL  107  17.11 +/- 0.39   0.004% *  0.4094% (0.49   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    VAL  107  20.73 +/- 0.42   0.001% *  0.8337% (0.99   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    VAL  107  18.73 +/- 0.41   0.002% *  0.2869% (0.34   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL  107  18.10 +/- 0.44   0.003% *  0.1873% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL  107  20.14 +/- 0.36   0.001% *  0.1473% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 654 (1.12, 9.57, 125.50 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.84, residual support = 56.6:
          QG1   VAL  107 - HN    VAL  107   3.40 +/- 0.08  99.758% * 90.6145% (0.20   3.84  56.62) =  99.995%  kept
          HG13  ILE  119 - HN    VAL  107  10.48 +/- 0.57   0.121% *  2.3622% (0.99   0.02   0.02) =   0.003%
          HD3   LYS+ 112 - HN    VAL  107  12.93 +/- 0.36   0.034% *  1.4455% (0.61   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    VAL  107  11.62 +/- 0.42   0.063% *  0.5943% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  107  16.20 +/- 0.50   0.009% *  2.3780% (1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    VAL  107  16.43 +/- 0.35   0.008% *  1.4455% (0.61   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  107  17.14 +/- 1.03   0.007% *  1.1601% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 655 (2.05, 9.14, 128.89 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 4.08, residual support = 62.1:
      O   HB    VAL  108 - HN    VAL  108   2.36 +/- 0.07  99.970% * 97.1960% (0.95   4.08  62.10) = 100.000%  kept
          HB2   PRO   93 - HN    VAL  108  10.21 +/- 0.27   0.016% *  0.4765% (0.95   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    VAL  108  12.07 +/- 0.47   0.006% *  0.3850% (0.76   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    VAL  108  12.16 +/- 0.34   0.006% *  0.0882% (0.18   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    VAL  108  17.56 +/- 0.33   0.001% *  0.4938% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    VAL  108  14.84 +/- 0.40   0.002% *  0.0882% (0.18   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    VAL  108  21.27 +/- 0.61   0.000% *  0.3850% (0.76   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    VAL  108  22.09 +/- 0.49   0.000% *  0.3460% (0.69   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    VAL  108  22.29 +/- 0.81   0.000% *  0.2258% (0.45   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    VAL  108  23.46 +/- 0.30   0.000% *  0.0777% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    VAL  108  29.56 +/- 1.20   0.000% *  0.1121% (0.22   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    VAL  108  36.73 +/- 2.79   0.000% *  0.1256% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 656 (1.13, 9.14, 128.89 ppm):
    7 chemical-shift based assignments, quality = 0.278, support = 3.64, residual support = 15.3:
          QG2   VAL  107 - HN    VAL  108   2.58 +/- 0.17  99.967% * 92.9875% (0.28   3.64  15.35) = 100.000%  kept
          HG13  ILE  119 - HN    VAL  108  11.63 +/- 0.74   0.013% *  1.7394% (0.95   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL  108  11.58 +/- 0.32   0.013% *  0.6272% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    VAL  108  13.26 +/- 0.59   0.006% *  0.8950% (0.49   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    VAL  108  19.08 +/- 0.38   0.001% *  1.5950% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  108  20.20 +/- 0.57   0.000% *  1.6974% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  108  19.45 +/- 1.09   0.001% *  0.4585% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 658 (1.07, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.1, residual support = 15.3:
          QG1   VAL  107 - HN    VAL  108   3.41 +/- 0.09  99.869% * 95.2124% (0.25   4.10  15.35) =  99.998%  kept
          HG3   LYS+ 112 - HN    VAL  108  10.98 +/- 0.31   0.090% *  1.1292% (0.61   0.02   0.02) =   0.001%
          HG    LEU   63 - HN    VAL  108  12.82 +/- 0.75   0.037% *  1.7967% (0.97   0.02   0.02) =   0.001%
          QG2   VAL   24 - HN    VAL  108  18.61 +/- 0.76   0.004% *  1.8617% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 659 (3.73, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.64, residual support = 26.7:
      O   HA    VAL   75 - HN    ASP-  76   2.20 +/- 0.03  99.998% * 98.7017% (0.69   4.64  26.68) = 100.000%  kept
          HA    ALA   61 - HN    ASP-  76  14.81 +/- 0.25   0.001% *  0.4253% (0.69   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASP-  76  16.83 +/- 0.30   0.001% *  0.5716% (0.92   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASP-  76  22.33 +/- 0.30   0.000% *  0.3014% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 660 (2.90, 9.10, 128.88 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.7, residual support = 36.2:
      O   HB2   ASP-  76 - HN    ASP-  76   2.38 +/- 0.25  99.561% * 98.7700% (1.00   3.70  36.18) =  99.998%  kept
          HB2   ASP-  78 - HN    ASP-  76   6.14 +/- 0.34   0.434% *  0.3873% (0.73   0.02   5.14) =   0.002%
          HB2   ASN   28 - HN    ASP-  76  13.45 +/- 0.52   0.004% *  0.0823% (0.15   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  76  16.00 +/- 1.21   0.001% *  0.1188% (0.22   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  76  23.01 +/- 0.45   0.000% *  0.5228% (0.98   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    ASP-  76  21.43 +/- 0.41   0.000% *  0.1188% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 661 (2.25, 9.10, 128.88 ppm):
    11 chemical-shift based assignments, quality = 0.278, support = 3.72, residual support = 36.2:
      O   HB3   ASP-  76 - HN    ASP-  76   3.16 +/- 0.31  99.402% * 89.6804% (0.28   3.72  36.18) =  99.993%  kept
          QG    GLN   90 - HN    ASP-  76   9.00 +/- 1.66   0.348% *  1.1205% (0.65   0.02   0.02) =   0.004%
          HB2   ASP-  44 - HN    ASP-  76   9.40 +/- 0.48   0.168% *  0.7765% (0.45   0.02   0.02) =   0.001%
          HB3   PHE   72 - HN    ASP-  76  11.97 +/- 0.65   0.040% *  0.9806% (0.57   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ASP-  76  14.40 +/- 1.18   0.018% *  1.5024% (0.87   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP-  76  14.90 +/- 0.60   0.011% *  1.6385% (0.95   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  76  17.59 +/- 1.12   0.004% *  0.8431% (0.49   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP-  76  17.61 +/- 1.26   0.004% *  0.5908% (0.34   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  76  20.83 +/- 0.58   0.001% *  1.6385% (0.95   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    ASP-  76  19.64 +/- 0.30   0.002% *  0.8431% (0.49   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    ASP-  76  23.87 +/- 0.70   0.001% *  0.3856% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 662 (0.45, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 4.97, residual support = 26.7:
          QG1   VAL   75 - HN    ASP-  76   2.85 +/- 0.37  99.993% * 99.7156% (0.69   4.97  26.68) = 100.000%  kept
          QD1   LEU  115 - HN    ASP-  76  14.84 +/- 0.30   0.007% *  0.2844% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 26.7:
          QG2   VAL   75 - HN    ASP-  76   4.07 +/- 0.09  99.888% * 99.6073% (0.98   4.64  26.68) = 100.000%  kept
          QG2   VAL   42 - HN    ASP-  76  12.87 +/- 0.82   0.112% *  0.3927% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 664 (3.69, 8.60, 114.88 ppm):
    6 chemical-shift based assignments, quality = 0.427, support = 2.2, residual support = 9.39:
      O   HA2   GLY  109 - HN    GLY  109   2.70 +/- 0.04  99.960% * 94.2643% (0.43   2.20   9.39) = 100.000%  kept
          HA    ALA   84 - HN    GLY  109  11.10 +/- 0.46   0.022% *  1.1542% (0.58   0.02   0.02) =   0.000%
          HA    THR  118 - HN    GLY  109  13.43 +/- 0.25   0.007% *  1.3100% (0.65   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    GLY  109  14.79 +/- 0.27   0.004% *  1.4575% (0.73   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    GLY  109  15.15 +/- 0.39   0.003% *  1.3941% (0.70   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    GLY  109  14.25 +/- 0.48   0.005% *  0.4199% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 0.698, support = 0.0199, residual support = 0.0199:
          HG3   LYS+ 111 - HN    GLY  109   6.20 +/- 0.52  81.566% * 20.3763% (0.70   0.02   0.02) =  81.712%  kept
          HG12  ILE   89 - HN    GLY  109   8.24 +/- 0.50  16.823% * 21.3024% (0.73   0.02   0.02) =  17.619%  kept
          HG2   LYS+  74 - HN    GLY  109  14.15 +/- 0.56   0.599% * 13.3882% (0.46   0.02   0.02) =   0.394%
          HD2   LYS+ 112 - HN    GLY  109  13.41 +/- 0.10   0.812% *  4.3683% (0.15   0.02   0.02) =   0.174%
          HG    LEU   71 - HN    GLY  109  21.29 +/- 0.71   0.050% * 14.2794% (0.49   0.02   0.02) =   0.035%
          HG3   LYS+  99 - HN    GLY  109  21.17 +/- 0.43   0.053% * 12.4970% (0.43   0.02   0.02) =   0.033%
          HG13  ILE   19 - HN    GLY  109  21.93 +/- 0.47   0.043% *  8.2844% (0.28   0.02   0.02) =   0.017%
          HB3   LEU   71 - HN    GLY  109  21.17 +/- 0.49   0.054% *  5.5041% (0.19   0.02   0.02) =   0.015%
    Distance limit 4.83 A violated in 20 structures by 1.15 A, eliminated.
    Peak unassigned.
 
    Peak 667 (0.90, 8.60, 114.88 ppm):
    4 chemical-shift based assignments, quality = 0.655, support = 3.09, residual support = 7.35:
          QG1   VAL  108 - HN    GLY  109   2.54 +/- 0.13  99.992% * 98.9381% (0.65   3.09   7.35) = 100.000%  kept
          QD1   LEU   40 - HN    GLY  109  14.35 +/- 0.25   0.003% *  0.5069% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    GLY  109  14.47 +/- 0.31   0.003% *  0.2517% (0.26   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    GLY  109  15.91 +/- 0.35   0.002% *  0.3034% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 6.47:
      O   HA2   GLY  109 - HN    ALA  110   2.51 +/- 0.15  99.981% * 94.2644% (0.57   2.20   6.47) = 100.000%  kept
          HB2   TRP   49 - HN    ALA  110  12.29 +/- 0.31   0.008% *  1.3941% (0.92   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA  110  14.56 +/- 0.31   0.003% *  1.4575% (0.97   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  110  14.15 +/- 0.38   0.003% *  1.1542% (0.76   0.02   0.02) =   0.000%
          HA    THR  118 - HN    ALA  110  14.39 +/- 0.23   0.003% *  1.3100% (0.87   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  110  15.57 +/- 0.38   0.002% *  0.4199% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.221, support = 0.745, residual support = 6.7:
          HG2   PRO   93 - HN    ALA  110   3.21 +/- 0.35  94.944% * 54.6666% (0.22   0.75   6.74) =  99.395%  kept
          HB3   PRO   52 - HN    ALA  110   5.37 +/- 0.25   4.851% *  6.4182% (0.98   0.02   0.02) =   0.596%
          HG2   ARG+  54 - HN    ALA  110  11.84 +/- 0.48   0.044% *  3.1872% (0.49   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    ALA  110  10.65 +/- 0.26   0.085% *  1.2958% (0.20   0.02   0.02) =   0.002%
          HB3   GLN   90 - HN    ALA  110  11.92 +/- 0.94   0.040% *  1.8205% (0.28   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    ALA  110  14.67 +/- 0.66   0.012% *  2.9356% (0.45   0.02   0.02) =   0.001%
          HG12  ILE  103 - HN    ALA  110  17.69 +/- 0.34   0.004% *  5.2431% (0.80   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    ALA  110  16.83 +/- 0.27   0.005% *  2.9356% (0.45   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ALA  110  19.48 +/- 0.47   0.002% *  6.4182% (0.98   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA  110  18.22 +/- 0.37   0.003% *  3.4450% (0.53   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA  110  16.30 +/- 0.49   0.006% *  1.4578% (0.22   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    ALA  110  19.59 +/- 0.60   0.002% *  4.2358% (0.65   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA  110  25.46 +/- 0.28   0.000% *  3.7071% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ALA  110  24.58 +/- 0.41   0.001% *  2.2335% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 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   2.06 +/- 0.05  99.966% * 90.9427% (0.69   2.12   9.58) = 100.000%  kept
          HB3   LEU  115 - HN    ALA  110   8.05 +/- 0.56   0.031% *  0.5135% (0.41   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ALA  110  12.86 +/- 0.28   0.002% *  1.1201% (0.90   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA  110  17.15 +/- 0.45   0.000% *  1.2379% (0.99   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA  110  18.93 +/- 0.74   0.000% *  1.1201% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA  110  19.79 +/- 0.81   0.000% *  1.2242% (0.98   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA  110  18.90 +/- 1.09   0.000% *  0.9069% (0.73   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA  110  19.66 +/- 0.82   0.000% *  0.5135% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA  110  18.26 +/- 0.98   0.000% *  0.2781% (0.22   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  110  19.41 +/- 0.78   0.000% *  0.3855% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA  110  23.88 +/- 1.57   0.000% *  1.0001% (0.80   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA  110  22.98 +/- 0.40   0.000% *  0.7575% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 7.06, residual support = 312.4:
      O   HB2   LYS+ 111 - HN    LYS+ 111   3.42 +/- 0.10  72.321% * 98.2132% (1.00   7.06 312.62) =  99.943%  kept
          QB    GLU- 114 - HN    LYS+ 111   4.07 +/- 0.29  27.610% *  0.1467% (0.53   0.02   6.19) =   0.057%
          HB    ILE  119 - HN    LYS+ 111  11.12 +/- 0.34   0.063% *  0.0695% (0.25   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 111  22.10 +/- 0.45   0.001% *  0.2733% (0.98   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 111  23.42 +/- 0.64   0.001% *  0.2733% (0.98   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 111  23.07 +/- 0.25   0.001% *  0.2501% (0.90   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 111  20.90 +/- 0.27   0.001% *  0.1250% (0.45   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 111  23.25 +/- 0.67   0.001% *  0.1467% (0.53   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 111  22.97 +/- 0.28   0.001% *  0.1047% (0.38   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 111  22.63 +/- 0.39   0.001% *  0.0695% (0.25   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 111  28.28 +/- 0.45   0.000% *  0.2419% (0.87   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 111  25.61 +/- 0.30   0.000% *  0.0861% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 5.17, residual support = 312.6:
      O   HB3   LYS+ 111 - HN    LYS+ 111   2.17 +/- 0.03  99.995% * 97.9630% (0.92   5.17 312.62) = 100.000%  kept
          HB3   LYS+ 121 - HN    LYS+ 111  13.46 +/- 0.55   0.002% *  0.4021% (0.98   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LYS+ 111  15.25 +/- 0.52   0.001% *  0.3679% (0.90   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+ 111  14.28 +/- 1.22   0.001% *  0.1686% (0.41   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+ 111  16.62 +/- 1.03   0.001% *  0.3284% (0.80   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+ 111  18.46 +/- 0.20   0.000% *  0.4021% (0.98   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 111  18.94 +/- 0.66   0.000% *  0.1399% (0.34   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 111  20.50 +/- 0.54   0.000% *  0.1140% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+ 111  26.25 +/- 1.06   0.000% *  0.1140% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 673 (1.22, 7.58, 125.75 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 6.53, residual support = 312.6:
          HG3   LYS+ 111 - HN    LYS+ 111   3.29 +/- 0.21  99.608% * 98.8179% (0.92   6.53 312.62) = 100.000%  kept
          HD2   LYS+ 112 - HN    LYS+ 111   8.59 +/- 0.10   0.345% *  0.0649% (0.20   0.02  25.46) =   0.000%
          HG12  ILE   89 - HN    LYS+ 111  12.83 +/- 0.36   0.032% *  0.3163% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    LYS+ 111  15.24 +/- 0.47   0.011% *  0.1988% (0.61   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    LYS+ 111  22.21 +/- 0.49   0.001% *  0.2120% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    LYS+ 111  22.12 +/- 0.45   0.001% *  0.1855% (0.57   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    LYS+ 111  22.88 +/- 0.27   0.001% *  0.1230% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 111  22.03 +/- 0.40   0.001% *  0.0817% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 1 structures by 0.03 A, kept.
 
    Peak 674 (0.80, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 2.31, residual support = 2.31:
          QD1   ILE   56 - HN    LYS+ 111   3.64 +/- 0.17  99.941% * 97.6345% (0.76   2.31   2.31) = 100.000%  kept
          HG3   LYS+ 121 - HN    LYS+ 111  15.05 +/- 0.96   0.023% *  1.0698% (0.97   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    LYS+ 111  16.10 +/- 0.52   0.014% *  0.5396% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  123 - HN    LYS+ 111  15.23 +/- 0.28   0.019% *  0.3781% (0.34   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LYS+ 111  21.93 +/- 0.54   0.002% *  0.3781% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 675 (3.46, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.72, residual support = 233.6:
      O   HA    LYS+ 112 - HN    LYS+ 112   2.81 +/- 0.01  99.993% * 99.5196% (0.87   5.72 233.59) = 100.000%  kept
          HB    THR   46 - HN    LYS+ 112  14.91 +/- 0.28   0.005% *  0.1369% (0.34   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    LYS+ 112  16.66 +/- 0.33   0.002% *  0.2434% (0.61   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LYS+ 112  26.48 +/- 0.83   0.000% *  0.1001% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 676 (2.02, 8.49, 124.18 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 7.08, residual support = 25.5:
          HB2   LYS+ 111 - HN    LYS+ 112   3.94 +/- 0.09  86.899% * 97.8569% (0.87   7.08  25.46) =  99.986%  kept
          QB    GLU- 114 - HN    LYS+ 112   5.52 +/- 0.28  11.778% *  0.0886% (0.28   0.02   0.75) =   0.012%
          HB    VAL  108 - HN    LYS+ 112   8.58 +/- 0.60   0.882% *  0.0886% (0.28   0.02   0.02) =   0.001%
          HB    ILE  119 - HN    LYS+ 112   9.99 +/- 0.38   0.340% *  0.1551% (0.49   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HN    LYS+ 112  12.45 +/- 0.31   0.089% *  0.0710% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 112  24.09 +/- 0.27   0.002% *  0.3187% (1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 112  23.83 +/- 0.45   0.002% *  0.2552% (0.80   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 112  25.18 +/- 0.54   0.001% *  0.2552% (0.80   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 112  26.66 +/- 0.71   0.001% *  0.2552% (0.80   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 112  26.12 +/- 0.43   0.001% *  0.1551% (0.49   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 112  23.79 +/- 0.18   0.002% *  0.0710% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 112  28.66 +/- 0.35   0.001% *  0.1804% (0.57   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 112  23.70 +/- 0.30   0.002% *  0.0558% (0.18   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 112  32.14 +/- 0.40   0.000% *  0.1933% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 5.71, residual support = 233.6:
      O   HB2   LYS+ 112 - HN    LYS+ 112   2.16 +/- 0.03  99.977% * 96.4781% (0.76   5.71 233.59) = 100.000%  kept
          HB3   PRO   93 - HN    LYS+ 112   8.95 +/- 0.27   0.020% *  0.0683% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+ 112  15.11 +/- 0.23   0.001% *  0.2862% (0.65   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+ 112  17.98 +/- 0.21   0.000% *  0.4084% (0.92   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+ 112  15.72 +/- 0.87   0.001% *  0.1660% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 112  19.87 +/- 0.74   0.000% *  0.4084% (0.92   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+ 112  19.21 +/- 0.43   0.000% *  0.3039% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 112  21.56 +/- 0.69   0.000% *  0.3838% (0.87   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 112  20.85 +/- 0.44   0.000% *  0.1819% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 112  25.32 +/- 1.03   0.000% *  0.3695% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 112  23.75 +/- 1.00   0.000% *  0.1103% (0.25   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 112  30.31 +/- 2.01   0.000% *  0.4084% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 112  30.05 +/- 0.36   0.000% *  0.4269% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 678 (1.18, 8.49, 124.18 ppm):
    6 chemical-shift based assignments, quality = 0.874, support = 5.76, residual support = 233.6:
      O   HB3   LYS+ 112 - HN    LYS+ 112   3.45 +/- 0.02  87.604% * 60.8594% (0.90   5.70 233.59) =  94.548%  kept
          HD2   LYS+ 112 - HN    LYS+ 112   5.16 +/- 0.10   7.949% * 38.6449% (0.49   6.67 233.59) =   5.448%  kept
          QG2   VAL  107 - HN    LYS+ 112   5.72 +/- 0.14   4.307% *  0.0471% (0.20   0.02   0.02) =   0.004%
          QG2   THR   94 - HN    LYS+ 112  10.21 +/- 0.38   0.135% *  0.2064% (0.87   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LYS+ 112  18.54 +/- 0.27   0.004% *  0.1443% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 112  24.75 +/- 0.41   0.001% *  0.0978% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 233.6:
          HG2   LYS+ 112 - HN    LYS+ 112   3.10 +/- 0.08  99.934% * 98.1763% (0.34   6.23 233.59) = 100.000%  kept
          QB    ALA   47 - HN    LYS+ 112  11.60 +/- 0.51   0.038% *  0.7396% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    LYS+ 112  12.98 +/- 0.17   0.019% *  0.6345% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    LYS+ 112  14.84 +/- 0.29   0.008% *  0.4496% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 681 (0.80, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 1.74, residual support = 7.38:
          QD1   ILE   56 - HN    LYS+ 112   3.79 +/- 0.07  99.933% * 96.8852% (0.76   1.74   7.38) =  99.999%  kept
          HG3   LYS+ 121 - HN    LYS+ 112  15.97 +/- 0.81   0.019% *  1.4086% (0.97   0.02   0.02) =   0.000%
          QD2   LEU  123 - HN    LYS+ 112  14.02 +/- 0.34   0.040% *  0.4979% (0.34   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    LYS+ 112  18.70 +/- 0.48   0.007% *  0.7104% (0.49   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LYS+ 112  25.80 +/- 0.60   0.001% *  0.4979% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 682 (1.06, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.94, residual support = 233.6:
          HG3   LYS+ 112 - HN    LYS+ 112   3.29 +/- 0.12  99.722% * 99.2182% (0.87   5.94 233.59) = 100.000%  kept
          QG2   VAL  108 - HN    LYS+ 112   9.04 +/- 0.42   0.249% *  0.0594% (0.15   0.02   0.02) =   0.000%
          HG    LEU   63 - HN    LYS+ 112  13.12 +/- 1.19   0.029% *  0.3773% (0.98   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LYS+ 112  23.54 +/- 0.58   0.001% *  0.3452% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 683 (3.46, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 5.05, residual support = 15.2:
      O   HA    LYS+ 112 - HN    ASP- 113   3.55 +/- 0.03  99.981% * 99.4567% (0.74   5.05  15.23) = 100.000%  kept
          HB2   HIS  122 - HN    ASP- 113  16.35 +/- 0.23   0.011% *  0.2753% (0.52   0.02   0.02) =   0.000%
          HB    THR   46 - HN    ASP- 113  17.01 +/- 0.26   0.008% *  0.1548% (0.29   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    ASP- 113  28.35 +/- 0.80   0.000% *  0.1132% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 3.2, residual support = 13.6:
      O   QB    ASP- 113 - HN    ASP- 113   2.08 +/- 0.09 100.000% *100.0000% (0.82   3.20  13.59) = 100.000%  kept
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.33, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.263, support = 2.63, residual support = 21.5:
          QG    GLU- 114 - HN    ASP- 113   4.00 +/- 0.10  99.627% * 93.0072% (0.26   2.63  21.50) =  99.996%  kept
          HG2   PRO   52 - HN    ASP- 113  13.04 +/- 0.40   0.085% *  1.7532% (0.65   0.02   0.02) =   0.002%
          HG2   MET   92 - HN    ASP- 113  11.39 +/- 1.45   0.236% *  0.5720% (0.21   0.02   0.02) =   0.001%
          HB2   PRO   58 - HN    ASP- 113  14.24 +/- 0.43   0.051% *  1.1167% (0.41   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    ASP- 113  25.09 +/- 0.47   0.002% *  0.8610% (0.32   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ASP- 113  35.31 +/- 0.42   0.000% *  2.1178% (0.79   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP- 113  34.55 +/- 0.73   0.000% *  0.5720% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 686 (2.02, 8.43, 117.70 ppm):
    12 chemical-shift based assignments, quality = 0.826, support = 3.72, residual support = 6.59:
          HB2   LYS+ 111 - HN    ASP- 113   3.42 +/- 0.28  87.080% * 67.5409% (0.85   3.75   5.62) =  93.863%  kept
          QB    GLU- 114 - HN    ASP- 113   4.77 +/- 0.11  12.675% * 30.3383% (0.45   3.20  21.50) =   6.137%  kept
          HB    ILE  119 - HN    ASP- 113   9.26 +/- 0.32   0.241% *  0.0899% (0.21   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ASP- 113  24.64 +/- 0.36   0.001% *  0.3234% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ASP- 113  25.19 +/- 0.45   0.001% *  0.3534% (0.84   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP- 113  25.88 +/- 0.56   0.000% *  0.3534% (0.84   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP- 113  24.05 +/- 0.40   0.001% *  0.1353% (0.32   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP- 113  24.99 +/- 0.19   0.001% *  0.1617% (0.38   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP- 113  27.76 +/- 0.73   0.000% *  0.1897% (0.45   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP- 113  27.06 +/- 0.51   0.000% *  0.0899% (0.21   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP- 113  28.22 +/- 0.47   0.000% *  0.1113% (0.26   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP- 113  33.48 +/- 0.39   0.000% *  0.3128% (0.74   0.02   0.02) =   0.000%
    Distance limit 4.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.39, 8.43, 117.70 ppm):
    13 chemical-shift based assignments, quality = 0.651, support = 5.46, residual support = 15.2:
          HB2   LYS+ 112 - HN    ASP- 113   3.12 +/- 0.10  99.914% * 96.3264% (0.65   5.46  15.23) = 100.000%  kept
          HB3   PRO   93 - HN    ASP- 113  10.89 +/- 0.28   0.057% *  0.0712% (0.13   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP- 113  14.62 +/- 0.35   0.010% *  0.2985% (0.55   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP- 113  14.63 +/- 0.93   0.010% *  0.1732% (0.32   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ASP- 113  18.50 +/- 0.21   0.002% *  0.4260% (0.79   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP- 113  19.22 +/- 0.47   0.002% *  0.3170% (0.59   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ASP- 113  20.90 +/- 0.76   0.001% *  0.4260% (0.79   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ASP- 113  22.74 +/- 0.72   0.001% *  0.4003% (0.74   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP- 113  24.61 +/- 1.19   0.000% *  0.3854% (0.71   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP- 113  22.58 +/- 0.44   0.001% *  0.1897% (0.35   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ASP- 113  30.64 +/- 0.40   0.000% *  0.4453% (0.82   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ASP- 113  31.17 +/- 1.95   0.000% *  0.4260% (0.79   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP- 113  25.22 +/- 1.01   0.000% *  0.1151% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 688 (1.18, 8.43, 117.70 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 4.84, residual support = 15.2:
          HB3   LYS+ 112 - HN    ASP- 113   3.67 +/- 0.13  91.570% * 98.8309% (0.76   4.84  15.23) =  99.986%  kept
          HD2   LYS+ 112 - HN    ASP- 113   6.29 +/- 0.15   3.686% *  0.2214% (0.41   0.02  15.23) =   0.009%
          QG2   VAL  107 - HN    ASP- 113   6.10 +/- 0.18   4.590% *  0.0900% (0.17   0.02   0.02) =   0.005%
          QG2   THR   94 - HN    ASP- 113  10.87 +/- 0.47   0.148% *  0.3946% (0.74   0.02   0.02) =   0.001%
          HG13  ILE  103 - HN    ASP- 113  18.38 +/- 0.32   0.006% *  0.2759% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    ASP- 113  25.37 +/- 0.35   0.001% *  0.1870% (0.35   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 689 (4.37, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.42, residual support = 21.5:
      O   HA    ASP- 113 - HN    GLU- 114   3.63 +/- 0.01  99.668% * 98.0998% (1.00   3.42  21.50) =  99.999%  kept
          HA    ILE   56 - HN    GLU- 114  10.09 +/- 0.25   0.219% *  0.3491% (0.61   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    GLU- 114  11.68 +/- 0.38   0.092% *  0.3491% (0.61   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU- 114  16.51 +/- 0.21   0.011% *  0.2801% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU- 114  21.44 +/- 0.24   0.002% *  0.4608% (0.80   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU- 114  18.36 +/- 0.46   0.006% *  0.0888% (0.15   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU- 114  26.58 +/- 0.43   0.001% *  0.3723% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.73 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 = 3.42, residual support = 21.5:
          QB    ASP- 113 - HN    GLU- 114   2.48 +/- 0.10  99.997% * 99.8651% (0.97   3.42  21.50) = 100.000%  kept
          HB2   ASP-  62 - HN    GLU- 114  14.46 +/- 0.86   0.003% *  0.1349% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 4.29, residual support = 38.7:
          QG    GLU- 114 - HN    GLU- 114   1.99 +/- 0.07  99.996% * 97.6697% (0.84   4.29  38.70) = 100.000%  kept
          HG2   MET   92 - HN    GLU- 114  11.60 +/- 1.39   0.003% *  0.4168% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU- 114  13.70 +/- 0.47   0.001% *  0.5346% (0.98   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU- 114  24.35 +/- 0.48   0.000% *  0.4891% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    GLU- 114  32.55 +/- 0.70   0.000% *  0.4168% (0.76   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    GLU- 114  33.84 +/- 0.46   0.000% *  0.4731% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 692 (2.01, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.881, support = 3.89, residual support = 14.7:
          HB2   LYS+ 111 - HN    GLU- 114   2.21 +/- 0.53  71.311% * 52.3600% (0.90   3.95   6.19) =  73.843%  kept
      O   QB    GLU- 114 - HN    GLU- 114   2.51 +/- 0.04  28.689% * 46.1019% (0.84   3.73  38.70) =  26.157%  kept
          HG2   PRO   68 - HN    GLU- 114  23.33 +/- 0.37   0.000% *  0.2032% (0.69   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU- 114  24.66 +/- 0.40   0.000% *  0.2799% (0.95   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU- 114  23.83 +/- 0.22   0.000% *  0.2261% (0.76   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU- 114  24.93 +/- 0.60   0.000% *  0.2799% (0.95   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU- 114  23.90 +/- 0.32   0.000% *  0.1794% (0.61   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU- 114  32.05 +/- 0.42   0.000% *  0.2959% (1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLU- 114  26.32 +/- 0.73   0.000% *  0.0738% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 693 (1.52, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 1.54, residual support = 6.19:
          HB3   LYS+ 111 - HN    GLU- 114   3.53 +/- 0.10  99.791% * 93.4519% (0.92   1.54   6.19) =  99.998%  kept
          HB3   LYS+ 121 - HN    GLU- 114  11.36 +/- 0.71   0.099% *  1.2924% (0.98   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HN    GLU- 114  12.15 +/- 1.54   0.085% *  0.5421% (0.41   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    GLU- 114  16.23 +/- 0.95   0.012% *  1.0558% (0.80   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    GLU- 114  18.32 +/- 0.28   0.005% *  1.2924% (0.98   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    GLU- 114  19.33 +/- 0.55   0.004% *  1.1825% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    GLU- 114  20.36 +/- 0.83   0.003% *  0.4498% (0.34   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    GLU- 114  23.44 +/- 0.57   0.001% *  0.3666% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    GLU- 114  28.42 +/- 1.25   0.000% *  0.3666% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 694 (1.10, 8.16, 121.97 ppm):
    5 chemical-shift based assignments, quality = 0.869, support = 0.701, residual support = 1.82:
          QG1   VAL  107 - HN    GLU- 114   4.34 +/- 0.26  94.276% * 13.9189% (0.84   0.36   2.15) =  76.554%  kept
          HD3   LYS+ 112 - HN    GLU- 114   7.23 +/- 0.17   4.761% * 84.3364% (0.98   1.83   0.75) =  23.424%  kept
          HG13  ILE  119 - HN    GLU- 114   9.56 +/- 0.61   0.957% *  0.3857% (0.41   0.02   0.02) =   0.022%
          QG1   VAL   24 - HN    GLU- 114  23.81 +/- 1.08   0.004% *  0.9383% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    GLU- 114  25.02 +/- 0.54   0.003% *  0.4207% (0.45   0.02   0.02) =   0.000%
    Distance limit 5.03 A violated in 0 structures by 0.00 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   3.24 +/- 0.19  99.962% * 96.9901% (0.57   3.86  14.95) = 100.000%  kept
          HA    GLN   30 - HN    GLY  101  12.71 +/- 1.03   0.031% *  0.5383% (0.61   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLY  101  16.54 +/- 1.19   0.006% *  0.5383% (0.61   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLY  101  25.68 +/- 0.69   0.000% *  0.8566% (0.97   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLY  101  26.52 +/- 0.50   0.000% *  0.6097% (0.69   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLY  101  28.71 +/- 0.59   0.000% *  0.4670% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 696 (3.54, 8.85, 104.25 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 2.86, residual support = 15.4:
      O   HA2   GLY  101 - HN    GLY  101   2.91 +/- 0.15  99.993% * 99.4114% (0.53   2.86  15.44) = 100.000%  kept
          HB2   TRP   27 - HN    GLY  101  14.88 +/- 1.15   0.006% *  0.2943% (0.22   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    GLY  101  23.54 +/- 0.52   0.000% *  0.2943% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 697 (3.82, 10.11, 128.03 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 6.39, residual support = 75.9:
      O   HA    GLU- 100 - HN    GLU- 100   2.21 +/- 0.08  99.995% * 98.1592% (0.57   6.39  75.86) = 100.000%  kept
          HA    GLN   30 - HN    GLU- 100  11.92 +/- 0.56   0.004% *  0.3292% (0.61   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLU- 100  18.09 +/- 0.69   0.000% *  0.3292% (0.61   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLU- 100  25.87 +/- 0.31   0.000% *  0.5239% (0.97   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLU- 100  26.31 +/- 0.31   0.000% *  0.3729% (0.69   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLU- 100  29.38 +/- 0.28   0.000% *  0.2856% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 698 (2.10, 10.11, 128.03 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 4.33, residual support = 75.9:
          HG3   GLU- 100 - HN    GLU- 100   2.77 +/- 0.31  99.950% * 97.4570% (0.69   4.33  75.86) = 100.000%  kept
          QB    GLN   32 - HN    GLU- 100  10.31 +/- 0.50   0.046% *  0.6419% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLU- 100  17.27 +/- 0.43   0.002% *  0.6419% (0.98   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU- 100  18.88 +/- 0.67   0.001% *  0.6195% (0.95   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    GLU- 100  19.51 +/- 1.64   0.001% *  0.1458% (0.22   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLU- 100  25.51 +/- 2.82   0.000% *  0.1296% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU- 100  26.11 +/- 0.31   0.000% *  0.1821% (0.28   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU- 100  26.69 +/- 0.28   0.000% *  0.1821% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 699 (1.76, 10.11, 128.03 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 5.6, residual support = 40.2:
          HB2   LYS+  99 - HN    GLU- 100   4.36 +/- 0.10  99.787% * 99.1245% (0.73   5.61  40.23) =  99.999%  kept
          HB    VAL   43 - HN    GLU- 100  12.38 +/- 0.43   0.197% *  0.4069% (0.84   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    GLU- 100  24.12 +/- 0.59   0.004% *  0.3722% (0.76   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    GLU- 100  19.70 +/- 0.46   0.012% *  0.0964% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 700 (1.32, 10.11, 128.03 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 6.39, residual support = 40.2:
          HG2   LYS+  99 - HN    GLU- 100   2.92 +/- 0.24  97.266% * 98.3954% (0.90   6.39  40.23) =  99.991%  kept
          HG2   LYS+  38 - HN    GLU- 100   5.73 +/- 0.69   2.628% *  0.3314% (0.97   0.02   0.02) =   0.009%
          HB2   LEU   31 - HN    GLU- 100   9.71 +/- 0.64   0.094% *  0.1944% (0.57   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLU- 100  16.74 +/- 0.44   0.003% *  0.3248% (0.95   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    GLU- 100  18.56 +/- 0.33   0.002% *  0.2083% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLU- 100  17.11 +/- 0.59   0.003% *  0.1060% (0.31   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLU- 100  16.76 +/- 0.53   0.003% *  0.0764% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLU- 100  19.95 +/- 0.77   0.001% *  0.1412% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLU- 100  24.14 +/- 0.33   0.000% *  0.2221% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 173.9:
      O   HB2   LYS+  99 - HN    LYS+  99   3.00 +/- 0.15  99.886% * 98.8706% (0.99   4.81 173.87) = 100.000%  kept
          HB    VAL   43 - HN    LYS+  99  10.53 +/- 0.29   0.056% *  0.3926% (0.95   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   30  11.04 +/- 0.40   0.043% *  0.0258% (0.06   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+  99  20.65 +/- 0.56   0.001% *  0.2350% (0.57   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    LYS+  99  22.68 +/- 0.58   0.001% *  0.4068% (0.98   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   30  15.87 +/- 0.75   0.005% *  0.0270% (0.07   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    GLN   30  15.70 +/- 0.81   0.005% *  0.0154% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   30  17.06 +/- 0.31   0.003% *  0.0267% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 703 (1.41, 8.33, 118.17 ppm):
    24 chemical-shift based assignments, quality = 0.566, support = 3.94, residual support = 18.0:
          QB    LEU   98 - HN    LYS+  99   2.89 +/- 0.38  98.688% * 93.7056% (0.57   3.94  18.01) =  99.999%  kept
          HD3   LYS+ 121 - HN    LYS+  99  11.11 +/- 0.64   0.045% *  0.7286% (0.87   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    GLN   30   9.07 +/- 0.70   0.148% *  0.0495% (0.06   0.02  14.83) =   0.000%
          HG    LEU   73 - HN    GLN   30   6.83 +/- 0.51   0.828% *  0.0085% (0.01   0.02   4.49) =   0.000%
          HB3   LEU   67 - HN    LYS+  99  12.76 +/- 0.55   0.017% *  0.3766% (0.45   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+  99  11.88 +/- 1.43   0.036% *  0.1296% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    GLN   30  10.18 +/- 0.77   0.077% *  0.0442% (0.05   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LYS+  99  16.75 +/- 0.93   0.003% *  0.7533% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLN   30  10.99 +/- 0.50   0.041% *  0.0533% (0.06   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    GLN   30  10.59 +/- 0.52   0.063% *  0.0312% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+  99  18.53 +/- 0.75   0.002% *  0.8107% (0.97   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  99  18.48 +/- 0.21   0.002% *  0.7016% (0.84   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+  99  18.62 +/- 1.08   0.002% *  0.6726% (0.80   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    GLN   30  11.80 +/- 0.44   0.027% *  0.0461% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+  99  18.76 +/- 0.44   0.002% *  0.7016% (0.84   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  99  18.06 +/- 0.19   0.002% *  0.5095% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+  99  16.84 +/- 0.79   0.004% *  0.2336% (0.28   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  99  22.13 +/- 1.97   0.001% *  0.2593% (0.31   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    GLN   30  16.27 +/- 2.06   0.005% *  0.0170% (0.02   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    GLN   30  17.74 +/- 0.38   0.002% *  0.0335% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN   30  16.88 +/- 0.50   0.003% *  0.0247% (0.03   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLN   30  20.76 +/- 0.32   0.001% *  0.0461% (0.05   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLN   30  22.55 +/- 0.72   0.001% *  0.0479% (0.06   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    GLN   30  20.84 +/- 0.44   0.001% *  0.0153% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 704 (0.72, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.754, support = 3.35, residual support = 17.8:
          QD2   LEU  104 - HN    LYS+  99   3.50 +/- 0.71  60.723% * 46.5678% (0.80   2.96  17.69) =  58.947%  kept
          QD1   LEU   98 - HN    LYS+  99   3.87 +/- 0.63  37.227% * 52.8999% (0.69   3.92  18.01) =  41.053%  kept
          QD1   ILE   19 - HN    GLN   30   6.39 +/- 0.17   1.879% *  0.0167% (0.04   0.02  14.83) =   0.001%
          QD1   ILE   19 - HN    LYS+  99  14.47 +/- 0.62   0.013% *  0.2544% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   98 - HN    GLN   30  10.87 +/- 0.55   0.076% *  0.0178% (0.05   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LYS+  99  14.75 +/- 0.95   0.013% *  0.0876% (0.22   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LYS+  99  17.42 +/- 0.61   0.005% *  0.1214% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    GLN   30  12.20 +/- 0.23   0.038% *  0.0058% (0.01   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    GLN   30  15.26 +/- 0.73   0.009% *  0.0207% (0.05   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    GLN   30  13.92 +/- 0.31   0.018% *  0.0080% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 0.867, support = 4.1, residual support = 17.7:
          QD1   LEU  104 - HN    LYS+  99   3.87 +/- 0.62  58.080% * 97.3956% (0.87   4.10  17.69) =  99.974%  kept
          QD1   LEU   73 - HN    GLN   30   4.19 +/- 0.16  39.558% *  0.0312% (0.06   0.02   4.49) =   0.022%
          QD1   LEU   73 - HN    LYS+  99  10.18 +/- 0.48   0.199% *  0.4746% (0.87   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    LYS+  99  11.67 +/- 0.37   0.089% *  0.4746% (0.87   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    GLN   30   7.78 +/- 0.43   1.032% *  0.0356% (0.07   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    LYS+  99  11.72 +/- 1.02   0.093% *  0.1521% (0.28   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    GLN   30   8.14 +/- 0.54   0.841% *  0.0148% (0.03   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LYS+  99  15.52 +/- 0.79   0.017% *  0.5423% (0.99   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  99  15.96 +/- 0.47   0.014% *  0.5459% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LYS+  99  13.92 +/- 0.57   0.030% *  0.2249% (0.41   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    GLN   30  14.82 +/- 0.60   0.020% *  0.0312% (0.06   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    GLN   30  15.68 +/- 0.66   0.015% *  0.0312% (0.06   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    GLN   30  16.56 +/- 0.94   0.011% *  0.0100% (0.02   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    GLN   30  21.14 +/- 0.50   0.002% *  0.0359% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 1 structures by 0.01 A, kept.
 
    Peak 707 (2.38, 9.69, 125.68 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 4.04, residual support = 10.9:
          HB3   PHE   97 - HN    LEU   98   3.63 +/- 0.10  99.524% * 97.5510% (0.65   4.04  10.91) =  99.997%  kept
          HB2   GLU- 100 - HN    LEU   98   9.11 +/- 0.33   0.408% *  0.6693% (0.90   0.02   0.02) =   0.003%
          QG    GLN   32 - HN    LEU   98  12.85 +/- 0.53   0.053% *  0.3926% (0.53   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    LEU   98  18.16 +/- 0.79   0.007% *  0.6234% (0.84   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    LEU   98  18.74 +/- 0.25   0.005% *  0.5976% (0.80   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   98  20.87 +/- 0.24   0.003% *  0.1662% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 708 (1.84, 9.69, 125.68 ppm):
    14 chemical-shift based assignments, quality = 0.655, support = 5.5, residual support = 32.0:
          HB    VAL   41 - HN    LEU   98   3.10 +/- 1.01  84.422% * 68.8982% (0.65   5.70  32.33) =  94.542%  kept
          HG12  ILE  103 - HN    LEU   98   5.81 +/- 0.73  11.572% * 28.9735% (0.80   1.94  26.76) =   5.450%  kept
          HB3   ASP- 105 - HN    LEU   98   6.73 +/- 0.29   1.251% *  0.1674% (0.45   0.02   5.15) =   0.003%
          HB    ILE  103 - HN    LEU   98   7.37 +/- 0.21   0.921% *  0.1965% (0.53   0.02  26.76) =   0.003%
          QB    LYS+ 106 - HN    LEU   98   6.99 +/- 0.54   1.708% *  0.0739% (0.20   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    LEU   98  11.42 +/- 0.42   0.072% *  0.1274% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LEU   98  12.67 +/- 0.37   0.030% *  0.1674% (0.45   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   98  15.97 +/- 0.22   0.008% *  0.2114% (0.57   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU   98  18.19 +/- 0.55   0.003% *  0.3661% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   98  16.77 +/- 0.26   0.006% *  0.0832% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   98  21.77 +/- 0.20   0.001% *  0.3661% (0.98   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   98  19.00 +/- 0.61   0.003% *  0.1038% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU   98  18.49 +/- 0.35   0.003% *  0.0832% (0.22   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   98  23.52 +/- 0.33   0.001% *  0.1818% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.01 A, kept.
 
    Peak 709 (1.41, 9.69, 125.68 ppm):
    13 chemical-shift based assignments, quality = 0.835, support = 5.07, residual support = 81.1:
      O   QB    LEU   98 - HN    LEU   98   2.70 +/- 0.19  98.738% * 97.0614% (0.84   5.07  81.15) =  99.999%  kept
          HB    VAL   42 - HN    LEU   98   5.82 +/- 0.32   1.142% *  0.0803% (0.18   0.02   0.51) =   0.001%
          HD3   LYS+ 121 - HN    LEU   98  10.34 +/- 0.65   0.039% *  0.4573% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   98  10.00 +/- 0.35   0.044% *  0.1020% (0.22   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   98  13.61 +/- 0.81   0.008% *  0.2965% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   98  14.66 +/- 0.42   0.004% *  0.4543% (0.99   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   98  15.63 +/- 0.76   0.003% *  0.4493% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   98  12.43 +/- 0.49   0.011% *  0.1020% (0.22   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   98  15.38 +/- 0.21   0.003% *  0.2595% (0.57   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   98  15.66 +/- 1.07   0.003% *  0.2412% (0.53   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   98  14.61 +/- 0.19   0.004% *  0.1564% (0.34   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   98  20.53 +/- 1.69   0.001% *  0.2595% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   98  17.30 +/- 0.78   0.002% *  0.0803% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (0.99, 9.69, 125.68 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 4.91, residual support = 11.2:
          QD2   LEU   40 - HN    LEU   98   2.66 +/- 0.26  97.537% * 98.4295% (0.97   4.91  11.20) =  99.994%  kept
          QG2   ILE  103 - HN    LEU   98   5.72 +/- 0.28   1.161% *  0.3604% (0.87   0.02  26.76) =   0.004%
          QD1   LEU   67 - HN    LEU   98   7.15 +/- 0.28   0.297% *  0.3931% (0.95   0.02   0.02) =   0.001%
          QD1   ILE  103 - HN    LEU   98   6.04 +/- 0.57   0.936% *  0.0822% (0.20   0.02  26.76) =   0.001%
          QD2   LEU   71 - HN    LEU   98   9.80 +/- 0.47   0.051% *  0.1155% (0.28   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    LEU   98  11.81 +/- 0.37   0.015% *  0.3017% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU   98  15.46 +/- 0.53   0.003% *  0.3175% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 0.317, support = 4.36, residual support = 68.2:
          QD1   LEU   98 - HN    LEU   98   4.03 +/- 0.83  35.014% * 78.3828% (0.38   4.90  81.15) =  73.617%  kept
          QG1   VAL   41 - HN    LEU   98   3.64 +/- 0.43  51.949% * 18.8159% (0.15   2.86  32.33) =  26.219%  kept
          QD2   LEU  104 - HN    LEU   98   5.86 +/- 0.52   4.930% *  0.8451% (0.99   0.02   7.79) =   0.112%
          QG1   VAL   43 - HN    LEU   98   5.04 +/- 0.69   7.982% *  0.2371% (0.28   0.02   0.02) =   0.051%
          QD1   ILE   19 - HN    LEU   98  12.05 +/- 0.58   0.040% *  0.7871% (0.92   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    LEU   98  11.31 +/- 0.98   0.066% *  0.4150% (0.49   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    LEU   98  13.87 +/- 0.64   0.018% *  0.5171% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 0.213, support = 4.67, residual support = 58.1:
          QD2   LEU   98 - HN    LEU   98   3.20 +/- 0.70  63.712% * 34.3691% (0.15   4.68  81.15) =  52.861%  kept
          QG2   VAL   41 - HN    LEU   98   3.75 +/- 0.32  31.647% * 61.6470% (0.28   4.66  32.33) =  47.096%  kept
          QD1   LEU  104 - HN    LEU   98   5.41 +/- 0.54   3.818% *  0.2939% (0.31   0.02   7.79) =   0.027%
          QD1   LEU   73 - HN    LEU   98   7.64 +/- 0.41   0.392% *  0.8539% (0.90   0.02   0.02) =   0.008%
          QD1   LEU   63 - HN    LEU   98   8.51 +/- 0.35   0.200% *  0.8539% (0.90   0.02   0.02) =   0.004%
          QD2   LEU   63 - HN    LEU   98   8.94 +/- 1.00   0.186% *  0.7953% (0.84   0.02   0.02) =   0.004%
          QD2   LEU  115 - HN    LEU   98  13.30 +/- 0.50   0.014% *  0.5391% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   98  13.18 +/- 0.89   0.014% *  0.5010% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   98  13.39 +/- 1.40   0.018% *  0.1469% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 713 (2.99, 8.40, 123.79 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 4.84, residual support = 62.6:
      O   HB2   PHE   97 - HN    PHE   97   2.51 +/- 0.13  99.129% * 98.7256% (0.95   4.84  62.60) =  99.998%  kept
          QE    LYS+ 106 - HN    PHE   97   5.85 +/- 0.57   0.774% *  0.2269% (0.53   0.02  11.08) =   0.002%
          QE    LYS+  99 - HN    PHE   97   8.92 +/- 0.62   0.055% *  0.2616% (0.61   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    PHE   97  10.12 +/- 0.43   0.024% *  0.0755% (0.18   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    PHE   97  11.38 +/- 0.33   0.012% *  0.1471% (0.34   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   97  13.98 +/- 0.56   0.004% *  0.4162% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    PHE   97  16.47 +/- 0.53   0.001% *  0.1471% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 714 (2.62, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.6, residual support = 45.8:
          HG2   MET   96 - HN    PHE   97   3.86 +/- 0.38  99.984% * 99.8228% (0.98   5.60  45.81) = 100.000%  kept
          HB2   PRO   52 - HN    PHE   97  16.94 +/- 0.18   0.016% *  0.1772% (0.49   0.02   0.02) =   0.000%
    Distance limit 5.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 715 (2.38, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.19, residual support = 62.6:
      O   HB3   PHE   97 - HN    PHE   97   3.64 +/- 0.06  97.326% * 96.5073% (0.34   5.19  62.60) =  99.991%  kept
          HB    VAL  107 - HN    PHE   97   6.69 +/- 0.13   2.560% *  0.3031% (0.28   0.02   0.23) =   0.008%
          HB2   GLU- 100 - HN    PHE   97  12.08 +/- 0.54   0.076% *  0.6611% (0.61   0.02   0.02) =   0.001%
          QG    GLN   32 - HN    PHE   97  16.07 +/- 0.72   0.014% *  0.9104% (0.84   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    PHE   97  15.42 +/- 0.27   0.017% *  0.5305% (0.49   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   97  18.14 +/- 0.67   0.007% *  1.0876% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 0.509, support = 5.29, residual support = 49.8:
          HB2   MET   96 - HN    PHE   97   4.15 +/- 0.11  80.622% * 35.2411% (0.31   6.07  45.81) =  70.159%  kept
          HB2   ASP- 105 - HN    PHE   97   5.29 +/- 0.25  19.088% * 63.3069% (0.98   3.44  59.09) =  29.840%  kept
          HG2   GLU- 100 - HN    PHE   97  13.07 +/- 0.33   0.085% *  0.2873% (0.76   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    PHE   97  12.65 +/- 0.46   0.102% *  0.1545% (0.41   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    PHE   97  16.98 +/- 0.32   0.017% *  0.3371% (0.90   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    PHE   97  17.61 +/- 0.45   0.014% *  0.3140% (0.84   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   97  13.99 +/- 0.74   0.061% *  0.0580% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   97  18.98 +/- 0.50   0.009% *  0.3010% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 717 (1.90, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.154, support = 6.07, residual support = 45.8:
          HB3   MET   96 - HN    PHE   97   4.49 +/- 0.06  99.626% * 91.3871% (0.15   6.07  45.81) =  99.995%  kept
          HB3   GLN   30 - HN    PHE   97  13.59 +/- 0.59   0.135% *  1.4161% (0.73   0.02   0.02) =   0.002%
          HB2   MET   92 - HN    PHE   97  15.11 +/- 0.44   0.070% *  1.6916% (0.87   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    PHE   97  14.62 +/- 0.21   0.084% *  0.7319% (0.38   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    PHE   97  15.86 +/- 0.43   0.052% *  1.0260% (0.53   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    PHE   97  18.10 +/- 0.20   0.023% *  1.9115% (0.98   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   97  22.33 +/- 1.16   0.007% *  0.7319% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   97  29.78 +/- 2.25   0.001% *  1.1040% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 718 (1.00, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.635, support = 1.65, residual support = 2.02:
          QG2   ILE  103 - HN    PHE   97   3.74 +/- 0.36  82.819% * 45.6139% (0.61   1.68   1.71) =  82.032%  kept
          QD2   LEU   40 - HN    PHE   97   5.01 +/- 0.21  15.825% * 52.2314% (0.76   1.53   3.45) =  17.949%  kept
          QD1   LEU   67 - HN    PHE   97   7.81 +/- 0.27   1.130% *  0.6497% (0.73   0.02   0.02) =   0.016%
          HB    VAL   75 - HN    PHE   97  11.21 +/- 0.38   0.127% *  0.8464% (0.95   0.02   0.02) =   0.002%
          QD1   ILE  119 - HN    PHE   97  12.12 +/- 0.19   0.080% *  0.2231% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    PHE   97  15.44 +/- 0.54   0.019% *  0.4355% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 719 (2.52, 9.32, 123.66 ppm):
    5 chemical-shift based assignments, quality = 0.236, support = 4.0, residual support = 12.0:
          HB3   PHE   95 - HN    MET   96   3.41 +/- 0.20  99.590% * 95.7142% (0.24   4.00  11.99) =  99.995%  kept
          HB3   TRP   87 - HN    MET   96   8.78 +/- 0.37   0.384% *  1.0876% (0.54   0.02   0.02) =   0.004%
          HG3   GLN  116 - HN    MET   96  16.31 +/- 0.32   0.009% *  0.9351% (0.46   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    MET   96  14.93 +/- 0.37   0.015% *  0.3802% (0.19   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    MET   96  20.11 +/- 0.55   0.003% *  1.8830% (0.93   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 720 (2.21, 9.32, 123.66 ppm):
    8 chemical-shift based assignments, quality = 0.944, support = 4.06, residual support = 115.5:
      O   HB2   MET   96 - HN    MET   96   2.83 +/- 0.16  99.737% * 98.0863% (0.94   4.06 115.54) =  99.999%  kept
          HB2   ASP- 105 - HN    MET   96   8.14 +/- 0.35   0.197% *  0.2170% (0.42   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    MET   96  10.58 +/- 0.35   0.041% *  0.3515% (0.69   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    MET   96  13.55 +/- 0.52   0.009% *  0.3325% (0.65   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    MET   96  14.90 +/- 0.53   0.005% *  0.3132% (0.61   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    MET   96  16.06 +/- 0.45   0.003% *  0.3700% (0.72   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    MET   96  14.00 +/- 0.31   0.007% *  0.0747% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    MET   96  19.08 +/- 0.46   0.001% *  0.2547% (0.50   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 721 (1.94, 9.32, 123.66 ppm):
    7 chemical-shift based assignments, quality = 0.574, support = 3.97, residual support = 115.5:
      O   HB3   MET   96 - HN    MET   96   2.74 +/- 0.20  99.921% * 97.5401% (0.57   3.97 115.54) = 100.000%  kept
          HB2   LEU   40 - HN    MET   96  11.25 +/- 0.40   0.024% *  0.7668% (0.89   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    MET   96  11.43 +/- 0.85   0.025% *  0.4265% (0.50   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    MET   96  10.93 +/- 0.28   0.028% *  0.2254% (0.26   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    MET   96  17.54 +/- 0.23   0.002% *  0.6491% (0.76   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   96  20.83 +/- 1.20   0.001% *  0.2502% (0.29   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   96  28.59 +/- 2.63   0.000% *  0.1420% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 722 (1.80, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.187, support = 1.5, residual support = 16.4:
          HB    VAL   43 - HN    MET   96   3.56 +/- 0.21  99.473% * 76.2797% (0.19   1.50  16.41) =  99.981%  kept
          HG2   PRO   93 - HN    MET   96  10.37 +/- 0.24   0.178% *  2.5016% (0.46   0.02   0.02) =   0.006%
          HB2   LEU   71 - HN    MET   96  11.69 +/- 0.76   0.090% *  4.4580% (0.82   0.02   0.02) =   0.005%
          QB    LYS+ 102 - HN    MET   96  12.36 +/- 0.33   0.061% *  3.7319% (0.69   0.02   0.02) =   0.003%
          QB    LYS+  65 - HN    MET   96  13.71 +/- 0.21   0.032% *  4.2927% (0.79   0.02   0.02) =   0.002%
          HB2   LYS+  99 - HN    MET   96  11.86 +/- 0.51   0.077% *  1.4289% (0.26   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    MET   96  12.18 +/- 0.34   0.067% *  1.2815% (0.24   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    MET   96  16.65 +/- 0.32   0.010% *  4.7442% (0.87   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    MET   96  15.98 +/- 0.52   0.013% *  1.2815% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 723 (1.19, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.848, support = 1.42, residual support = 1.67:
          QG2   THR   94 - HN    MET   96   4.30 +/- 0.27  97.909% * 95.0745% (0.85   1.42   1.67) =  99.989%  kept
          HG12  ILE   89 - HN    MET   96   8.55 +/- 0.25   1.709% *  0.3329% (0.21   0.02   0.02) =   0.006%
          HB3   LEU   71 - HN    MET   96  12.32 +/- 0.43   0.193% *  1.4144% (0.89   0.02   0.02) =   0.003%
          HB3   LYS+ 112 - HN    MET   96  15.80 +/- 0.30   0.043% *  1.2970% (0.82   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HN    MET   96  16.49 +/- 0.32   0.033% *  1.4656% (0.93   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    MET   96  13.40 +/- 0.18   0.113% *  0.4157% (0.26   0.02   0.02) =   0.001%
    Distance limit 4.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 724 (0.75, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.757, support = 2.96, residual support = 16.4:
          QG1   VAL   43 - HN    MET   96   4.10 +/- 0.83  94.973% * 96.6032% (0.76   2.96  16.41) =  99.964%  kept
          QG1   VAL   41 - HN    MET   96   8.32 +/- 0.32   1.959% *  0.4949% (0.57   0.02   0.02) =   0.011%
          QG2   THR   46 - HN    MET   96   9.23 +/- 0.61   1.147% *  0.8141% (0.94   0.02   0.02) =   0.010%
          QG2   VAL   18 - HN    MET   96   9.29 +/- 0.90   1.168% *  0.7874% (0.91   0.02   0.02) =   0.010%
          QD2   LEU  104 - HN    MET   96  10.20 +/- 0.41   0.592% *  0.5925% (0.69   0.02   0.02) =   0.004%
          QD1   ILE   19 - HN    MET   96  12.59 +/- 0.39   0.161% *  0.7078% (0.82   0.02   0.02) =   0.001%
    Distance limit 4.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 725 (0.58, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.659, support = 0.0193, residual support = 0.073:
          QD1   LEU   63 - HN    MET   96   5.96 +/- 0.34  27.810% * 19.4267% (0.85   0.02   0.02) =  53.219%  kept
          QD2   LEU   98 - HN    MET   96   5.95 +/- 1.25  39.010% *  3.3423% (0.15   0.02   0.44) =  12.843%  kept
          QD2   LEU   63 - HN    MET   96   7.62 +/- 0.58   6.703% * 18.0932% (0.79   0.02   0.02) =  11.947%  kept
          QG2   VAL   41 - HN    MET   96   6.43 +/- 0.26  18.425% *  6.0227% (0.26   0.02   0.02) =  10.931%  kept
          QD1   LEU   73 - HN    MET   96   8.23 +/- 0.30   4.036% * 19.4267% (0.85   0.02   0.02) =   7.723%  kept
          QD2   LEU  115 - HN    MET   96   9.99 +/- 0.41   1.256% * 12.2638% (0.54   0.02   0.02) =   1.517%
          QD1   LEU  104 - HN    MET   96   9.89 +/- 0.42   1.313% *  6.6858% (0.29   0.02   0.02) =   0.865%
          QD2   LEU   80 - HN    MET   96  11.47 +/- 1.01   0.603% * 11.3966% (0.50   0.02   0.02) =   0.677%
          QD1   LEU   80 - HN    MET   96  11.30 +/- 1.42   0.845% *  3.3423% (0.15   0.02   0.02) =   0.278%
    Distance limit 4.86 A violated in 7 structures by 0.10 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 726 (0.10, 9.32, 123.66 ppm):
    3 chemical-shift based assignments, quality = 0.689, support = 0.0191, residual support = 0.0191:
          QD1   ILE   89 - HN    MET   96   5.48 +/- 0.24  88.273% * 55.1266% (0.72   0.02   0.02) =  95.301%  kept
          QG2   VAL   83 - HN    MET   96   8.95 +/- 0.53   4.950% * 35.1112% (0.46   0.02   0.02) =   3.403%
          QD2   LEU   31 - HN    MET   96   8.52 +/- 0.38   6.778% *  9.7622% (0.13   0.02   0.02) =   1.296%
    Distance limit 4.73 A violated in 20 structures by 0.75 A, eliminated.
    Peak unassigned.
 
    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   2.40 +/- 0.08 100.000% *100.0000% (0.87   3.85  73.37) = 100.000%  kept
    Distance limit 4.23 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 = 4.18, residual support = 73.4:
      O   HB3   PHE   95 - HN    PHE   95   3.57 +/- 0.03  99.928% * 99.3236% (0.98   4.18  73.37) = 100.000%  kept
          HG2   GLN  116 - HN    PHE   95  12.01 +/- 0.43   0.071% *  0.4589% (0.95   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    PHE   95  23.55 +/- 0.53   0.001% *  0.2175% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 729 (2.41, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.94, residual support = 50.4:
          HB    VAL  107 - HN    PHE   95   3.07 +/- 0.23  99.288% * 98.6695% (0.99   3.94  50.43) =  99.997%  kept
          HB3   PHE   45 - HN    PHE   95   7.32 +/- 0.24   0.616% *  0.3470% (0.69   0.02   1.89) =   0.002%
          QE    LYS+ 112 - HN    PHE   95  10.03 +/- 0.33   0.089% *  0.3470% (0.69   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   95  16.30 +/- 0.60   0.005% *  0.1896% (0.38   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   95  20.22 +/- 0.91   0.001% *  0.3470% (0.69   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   95  23.32 +/- 0.82   0.001% *  0.1000% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.54 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 = 0.727, support = 4.18, residual support = 21.4:
          QG2   THR   94 - HN    PHE   95   2.59 +/- 0.21  48.688% * 79.0239% (0.87   4.09  13.67) =  79.031%  kept
          QG2   VAL  107 - HN    PHE   95   2.58 +/- 0.26  51.282% * 19.9069% (0.20   4.52  50.43) =  20.969%  kept
          HG13  ILE  103 - HN    PHE   95   9.51 +/- 0.33   0.022% *  0.2701% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HN    PHE   95  12.22 +/- 0.31   0.004% *  0.3993% (0.90   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HN    PHE   95  13.17 +/- 0.34   0.003% *  0.2167% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    PHE   95  16.49 +/- 0.42   0.001% *  0.1830% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 25.2:
      O   HB    THR   94 - HN    THR   94   2.64 +/- 0.14  99.855% * 93.8032% (0.65   3.08  25.22) =  99.999%  kept
          HD2   PRO   52 - HN    THR   94   8.85 +/- 0.11   0.073% *  0.3213% (0.34   0.02   0.02) =   0.000%
          QB    SER   48 - HN    THR   94  10.80 +/- 0.51   0.023% *  0.7197% (0.76   0.02   0.02) =   0.000%
          QB    SER   85 - HN    THR   94  12.36 +/- 0.46   0.010% *  0.9089% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR   94  12.44 +/- 0.13   0.010% *  0.4584% (0.49   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    THR   94  10.92 +/- 0.48   0.021% *  0.1649% (0.18   0.02   0.02) =   0.000%
          QB    SER  117 - HN    THR   94  13.69 +/- 0.28   0.006% *  0.2348% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    THR   94  17.42 +/- 0.45   0.001% *  0.8694% (0.92   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    THR   94  18.81 +/- 0.48   0.001% *  0.8909% (0.95   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    THR   94  18.39 +/- 0.47   0.001% *  0.5332% (0.57   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    THR   94  20.97 +/- 0.56   0.000% *  0.9089% (0.97   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    THR   94  21.47 +/- 0.42   0.000% *  0.1864% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 732 (3.06, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 27.2:
          HB2   PHE   45 - HN    THR   94   2.30 +/- 0.27  99.984% * 98.8926% (0.95   2.96  27.20) = 100.000%  kept
          QE    LYS+ 111 - HN    THR   94  11.00 +/- 0.17   0.010% *  0.7071% (1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HN    THR   94  12.43 +/- 0.37   0.005% *  0.4003% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 733 (2.44, 8.03, 115.19 ppm):
    8 chemical-shift based assignments, quality = 0.566, support = 1.5, residual support = 27.2:
          HB3   PHE   45 - HN    THR   94   3.60 +/- 0.32  97.454% * 91.6934% (0.57   1.50  27.20) =  99.985%  kept
          HB    VAL  107 - HN    THR   94   7.16 +/- 0.23   1.964% *  0.4274% (0.20   0.02   0.02) =   0.009%
          QE    LYS+ 112 - HN    THR   94  10.63 +/- 0.39   0.184% *  1.2226% (0.57   0.02   0.02) =   0.003%
          HG3   MET   96 - HN    THR   94   9.46 +/- 0.26   0.337% *  0.6004% (0.28   0.02   1.67) =   0.002%
          HB3   ASP-  86 - HN    THR   94  14.60 +/- 0.47   0.024% *  2.1403% (0.99   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HN    THR   94  14.17 +/- 0.62   0.034% *  1.4833% (0.69   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HN    THR   94  22.54 +/- 0.77   0.002% *  2.1403% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    THR   94  25.09 +/- 1.03   0.001% *  0.2922% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.84 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 = 4.27, residual support = 15.3:
      O   HB2   PRO   93 - HN    THR   94   3.85 +/- 0.16  97.233% * 97.7799% (0.98   4.27  15.32) =  99.994%  kept
          HG3   PRO   52 - HN    THR   94   7.40 +/- 0.13   2.032% *  0.1919% (0.41   0.02   0.02) =   0.004%
          HB    VAL  108 - HN    THR   94   9.20 +/- 0.35   0.543% *  0.3206% (0.69   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HN    THR   94  13.44 +/- 0.68   0.060% *  0.3567% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    THR   94  13.03 +/- 0.43   0.067% *  0.1919% (0.41   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   94  15.12 +/- 0.58   0.027% *  0.2093% (0.45   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    THR   94  16.26 +/- 0.34   0.018% *  0.2093% (0.45   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    THR   94  16.60 +/- 0.70   0.016% *  0.0924% (0.20   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   94  22.72 +/- 0.12   0.002% *  0.1752% (0.38   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    THR   94  24.33 +/- 1.18   0.002% *  0.2272% (0.49   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    THR   94  31.96 +/- 3.39   0.000% *  0.2456% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.64 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 = 0.897, support = 2.73, residual support = 15.3:
      O   HB3   PRO   93 - HN    THR   94   3.48 +/- 0.25  93.716% * 93.6236% (0.90   2.74  15.32) =  99.970%  kept
          HB3   ASP-  44 - HN    THR   94   5.84 +/- 0.37   4.752% *  0.3716% (0.49   0.02   0.02) =   0.020%
          QB    ALA   84 - HN    THR   94   7.53 +/- 0.25   1.034% *  0.6621% (0.87   0.02   0.02) =   0.008%
          HG3   LYS+ 106 - HN    THR   94  11.41 +/- 0.86   0.099% *  0.6621% (0.87   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    THR   94  11.53 +/- 0.58   0.075% *  0.4938% (0.65   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    THR   94  11.68 +/- 0.40   0.068% *  0.4322% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   94  10.96 +/- 0.32   0.102% *  0.2865% (0.38   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    THR   94  13.39 +/- 1.33   0.036% *  0.5834% (0.76   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    THR   94  13.16 +/- 0.24   0.033% *  0.5834% (0.76   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    THR   94  12.10 +/- 1.22   0.065% *  0.2122% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    THR   94  17.26 +/- 0.98   0.007% *  0.4322% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    THR   94  20.39 +/- 0.50   0.002% *  0.5243% (0.69   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    THR   94  20.81 +/- 0.45   0.002% *  0.4938% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   94  17.70 +/- 0.46   0.006% *  0.1337% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    THR   94  21.33 +/- 0.54   0.002% *  0.3716% (0.49   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR   94  24.61 +/- 2.00   0.001% *  0.1337% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 736 (1.21, 8.03, 115.19 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 3.5, residual support = 25.2:
          QG2   THR   94 - HN    THR   94   3.77 +/- 0.12  97.807% * 94.3264% (0.34   3.50  25.22) =  99.971%  kept
          HG12  ILE   89 - HN    THR   94   7.37 +/- 0.29   1.825% *  1.2080% (0.76   0.02   5.50) =   0.024%
          HG3   LYS+ 111 - HN    THR   94  10.16 +/- 0.31   0.262% *  1.3203% (0.84   0.02   0.02) =   0.004%
          HD2   LYS+ 112 - HN    THR   94  14.00 +/- 0.35   0.039% *  1.1478% (0.73   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HN    THR   94  13.73 +/- 0.30   0.043% *  0.4879% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    THR   94  17.25 +/- 0.55   0.011% *  1.2657% (0.80   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    THR   94  16.91 +/- 0.68   0.013% *  0.2439% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 737 (0.64, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 0.75, residual support = 5.5:
          QG2   ILE   89 - HN    THR   94   3.73 +/- 0.36  99.821% * 99.1801% (0.90   0.75   5.50) =  99.999%  kept
          QG1   VAL   83 - HN    THR   94  11.83 +/- 0.74   0.179% *  0.8199% (0.28   0.02   0.02) =   0.001%
    Distance limit 4.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 738 (2.27, 8.46, 118.59 ppm):
    9 chemical-shift based assignments, quality = 0.135, support = 3.74, residual support = 61.7:
          HG3   MET   92 - HN    MET   92   3.35 +/- 0.34  97.492% * 80.3744% (0.14   3.74  61.77) =  99.912%  kept
          QG    GLN   90 - HN    MET   92   6.73 +/- 0.61   2.458% *  2.7520% (0.87   0.02   0.02) =   0.086%
          HB2   ASP-  44 - HN    MET   92  12.83 +/- 0.45   0.039% *  3.1098% (0.98   0.02   0.02) =   0.002%
          HB3   PHE   72 - HN    MET   92  18.37 +/- 0.84   0.004% *  2.9287% (0.92   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    MET   92  17.81 +/- 0.53   0.006% *  1.6692% (0.53   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    MET   92  25.19 +/- 1.17   0.001% *  3.1726% (1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    MET   92  26.36 +/- 1.14   0.000% *  3.0618% (0.97   0.02   0.02) =   0.000%
          QB    MET   11 - HN    MET   92  33.51 +/- 3.35   0.000% *  2.3038% (0.73   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    MET   92  25.89 +/- 0.65   0.001% *  0.6279% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 739 (1.89, 8.46, 118.59 ppm):
    11 chemical-shift based assignments, quality = 0.998, support = 3.65, residual support = 61.8:
      O   HB2   MET   92 - HN    MET   92   3.12 +/- 0.32  98.953% * 97.5256% (1.00   3.65  61.77) =  99.999%  kept
          HB3   GLN   90 - HN    MET   92   7.05 +/- 0.55   0.840% *  0.0937% (0.18   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    MET   92   9.58 +/- 0.41   0.137% *  0.3461% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    MET   92  11.52 +/- 0.46   0.044% *  0.1191% (0.22   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    MET   92  13.07 +/- 0.39   0.020% *  0.1334% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   92  17.68 +/- 0.47   0.003% *  0.5163% (0.97   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   92  21.76 +/- 0.39   0.001% *  0.5061% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   92  31.12 +/- 0.34   0.000% *  0.4284% (0.80   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    MET   92  24.34 +/- 0.31   0.000% *  0.0724% (0.14   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   92  29.93 +/- 1.31   0.000% *  0.0937% (0.18   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   92  37.51 +/- 3.95   0.000% *  0.1651% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 740 (1.71, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 3.97, residual support = 61.8:
      O   HB3   MET   92 - HN    MET   92   3.97 +/- 0.16  92.678% * 95.6834% (0.57   3.97  61.77) =  99.983%  kept
          HG3   PRO   93 - HN    MET   92   6.37 +/- 0.42   5.651% *  0.1683% (0.20   0.02   1.72) =   0.011%
          QG1   ILE   56 - HN    MET   92   9.68 +/- 0.28   0.451% *  0.6500% (0.76   0.02   0.02) =   0.003%
          HB    ILE   89 - HN    MET   92   8.40 +/- 0.47   1.074% *  0.2121% (0.25   0.02   0.02) =   0.003%
          QD    LYS+ 106 - HN    MET   92  14.23 +/- 0.87   0.049% *  0.7627% (0.90   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    MET   92  13.06 +/- 0.50   0.076% *  0.3813% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    MET   92  16.80 +/- 0.59   0.017% *  0.6176% (0.73   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    MET   92  23.75 +/- 0.64   0.002% *  0.7851% (0.92   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    MET   92  24.26 +/- 0.52   0.002% *  0.5502% (0.65   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    MET   92  25.97 +/- 0.45   0.001% *  0.1893% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 741 (1.25, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 3.03, residual support = 8.95:
          QB    ALA   91 - HN    MET   92   3.07 +/- 0.30  99.586% * 96.1551% (1.00   3.03   8.95) =  99.998%  kept
          QG2   ILE   56 - HN    MET   92   7.81 +/- 0.29   0.389% *  0.4369% (0.69   0.02   0.02) =   0.002%
          HG2   LYS+  74 - HN    MET   92  13.19 +/- 0.60   0.017% *  0.4115% (0.65   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    MET   92  22.17 +/- 0.39   0.001% *  0.6347% (1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    MET   92  16.98 +/- 0.38   0.004% *  0.1259% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    MET   92  20.10 +/- 0.26   0.001% *  0.3096% (0.49   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    MET   92  22.72 +/- 0.34   0.001% *  0.5518% (0.87   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    MET   92  23.27 +/- 0.69   0.001% *  0.3858% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    MET   92  26.56 +/- 0.61   0.000% *  0.4369% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    MET   92  31.88 +/- 0.54   0.000% *  0.5518% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 742 (3.88, 7.72, 122.85 ppm):
    12 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 7.83:
          HA    ILE   89 - HN    ALA   91   3.37 +/- 0.46  99.676% * 96.1977% (0.61   2.49   7.83) = 100.000%  kept
          HB    THR  118 - HN    ALA   91  17.16 +/- 0.82   0.008% *  1.2063% (0.95   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    TRP   27   9.82 +/- 0.91   0.231% *  0.0276% (0.02   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ALA   91  13.95 +/- 0.62   0.023% *  0.2233% (0.18   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    TRP   27  14.91 +/- 0.52   0.018% *  0.0956% (0.07   0.02   0.02) =   0.000%
          HB    THR   39 - HN    TRP   27  14.61 +/- 0.58   0.019% *  0.0706% (0.06   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    TRP   27  16.17 +/- 0.38   0.011% *  0.0956% (0.07   0.02   0.02) =   0.000%
          QB    SER   13 - HN    TRP   27  17.77 +/- 3.08   0.012% *  0.0648% (0.05   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ALA   91  24.72 +/- 0.71   0.001% *  0.5717% (0.45   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ALA   91  26.89 +/- 0.66   0.000% *  0.7735% (0.61   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ALA   91  28.84 +/- 2.58   0.000% *  0.5243% (0.41   0.02   0.02) =   0.000%
          HB    THR  118 - HN    TRP   27  23.67 +/- 0.44   0.001% *  0.1491% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 743 (2.17, 7.72, 122.85 ppm):
    14 chemical-shift based assignments, quality = 0.726, support = 4.96, residual support = 32.4:
          HB2   GLN   90 - HN    ALA   91   3.98 +/- 0.41  58.487% * 98.1082% (0.73   4.97  32.43) =  99.978%  kept
          HB3   GLU-  29 - HN    TRP   27   5.14 +/- 0.78  17.440% *  0.0354% (0.07   0.02   0.02) =   0.011%
          HG3   GLU-  29 - HN    TRP   27   5.76 +/- 0.26   6.620% *  0.0603% (0.11   0.02   0.02) =   0.007%
          HB2   GLU-  25 - HN    TRP   27   4.91 +/- 0.08  16.894% *  0.0133% (0.02   0.02   0.02) =   0.004%
          HB3   GLU-  79 - HN    TRP   27   9.06 +/- 0.57   0.447% *  0.0133% (0.02   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   91  12.98 +/- 0.69   0.053% *  0.1077% (0.20   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   91  23.38 +/- 0.63   0.001% *  0.4881% (0.90   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    TRP   27  13.46 +/- 0.45   0.039% *  0.0168% (0.03   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ALA   91  22.95 +/- 1.01   0.002% *  0.2863% (0.53   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    TRP   27  17.50 +/- 0.99   0.009% *  0.0488% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    TRP   27  19.31 +/- 0.53   0.005% *  0.0636% (0.12   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ALA   91  21.46 +/- 0.73   0.003% *  0.1077% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    ALA   91  28.33 +/- 0.92   0.000% *  0.5148% (0.95   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    ALA   91  26.01 +/- 0.44   0.001% *  0.1357% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 744 (1.86, 7.72, 122.85 ppm):
    28 chemical-shift based assignments, quality = 0.991, support = 4.96, residual support = 32.4:
          HB3   GLN   90 - HN    ALA   91   3.56 +/- 0.32  79.556% * 96.1733% (0.99   4.97  32.43) =  99.987%  kept
          HB2   MET   92 - HN    ALA   91   5.03 +/- 0.45  12.216% *  0.0603% (0.15   0.02   8.95) =   0.010%
          QB    LYS+  81 - HN    ALA   91   9.14 +/- 0.50   0.310% *  0.3772% (0.97   0.02   0.02) =   0.002%
          HB3   GLN   30 - HN    TRP   27   5.58 +/- 0.78   7.228% *  0.0120% (0.03   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    ALA   91  11.25 +/- 0.74   0.090% *  0.3697% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    TRP   27   9.17 +/- 0.45   0.302% *  0.0483% (0.12   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ALA   91  10.58 +/- 0.46   0.124% *  0.0975% (0.25   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   91  12.22 +/- 0.44   0.052% *  0.2213% (0.57   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   91  15.83 +/- 0.52   0.011% *  0.3772% (0.97   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    TRP   27  11.88 +/- 0.40   0.060% *  0.0466% (0.12   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   91  17.31 +/- 1.09   0.007% *  0.3831% (0.98   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   91  17.34 +/- 0.89   0.007% *  0.3697% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ALA   91  22.55 +/- 0.49   0.001% *  0.3909% (1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    TRP   27  16.42 +/- 0.80   0.009% *  0.0457% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    TRP   27  17.36 +/- 1.16   0.007% *  0.0479% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   91  19.76 +/- 0.64   0.003% *  0.0975% (0.25   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    TRP   27  18.52 +/- 0.74   0.004% *  0.0457% (0.12   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    TRP   27  20.07 +/- 0.65   0.003% *  0.0473% (0.12   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   91  28.63 +/- 0.61   0.000% *  0.3608% (0.92   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    TRP   27  19.33 +/- 0.44   0.003% *  0.0199% (0.05   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ALA   91  26.00 +/- 0.88   0.001% *  0.0975% (0.25   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    TRP   27  23.04 +/- 0.30   0.001% *  0.0446% (0.11   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   91  29.07 +/- 0.82   0.000% *  0.1607% (0.41   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    TRP   27  24.30 +/- 1.04   0.001% *  0.0466% (0.12   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    TRP   27  22.40 +/- 0.42   0.001% *  0.0273% (0.07   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    TRP   27  21.36 +/- 0.58   0.002% *  0.0075% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    TRP   27  24.50 +/- 0.43   0.001% *  0.0120% (0.03   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    TRP   27  29.86 +/- 0.60   0.000% *  0.0120% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 745 (1.26, 7.72, 122.85 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 3.07, residual support = 12.3:
      O   QB    ALA   91 - HN    ALA   91   2.41 +/- 0.10  99.221% * 95.5699% (0.92   3.07  12.31) = 100.000%  kept
          QG2   THR   23 - HN    TRP   27   5.67 +/- 0.37   0.680% *  0.0342% (0.05   0.02   1.64) =   0.000%
          QG2   ILE   56 - HN    ALA   91   9.59 +/- 0.36   0.026% *  0.6217% (0.92   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    TRP   27   9.34 +/- 0.30   0.030% *  0.0636% (0.09   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   91  13.43 +/- 0.69   0.004% *  0.2527% (0.38   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    TRP   27  10.76 +/- 0.36   0.013% *  0.0505% (0.07   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   91  15.58 +/- 0.52   0.001% *  0.2769% (0.41   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    TRP   27  13.44 +/- 0.68   0.004% *  0.0768% (0.11   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   91  18.38 +/- 0.47   0.001% *  0.5147% (0.76   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    TRP   27  11.45 +/- 0.81   0.010% *  0.0284% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    TRP   27  11.91 +/- 0.49   0.007% *  0.0312% (0.05   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   91  21.06 +/- 0.65   0.000% *  0.6217% (0.92   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   91  22.09 +/- 0.60   0.000% *  0.4085% (0.61   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    TRP   27  16.73 +/- 0.34   0.001% *  0.0768% (0.11   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    TRP   27  17.31 +/- 0.32   0.001% *  0.0768% (0.11   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   91  22.29 +/- 1.02   0.000% *  0.2297% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    TRP   27  19.26 +/- 0.61   0.000% *  0.0830% (0.12   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   91  24.54 +/- 0.85   0.000% *  0.2769% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   91  29.55 +/- 0.80   0.000% *  0.6719% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    TRP   27  18.85 +/- 1.14   0.000% *  0.0342% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 748 (4.63, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.175, support = 5.16, residual support = 158.2:
      O   HA    LYS+ 102 - HN    LYS+ 102   2.93 +/- 0.00  99.994% * 96.9746% (0.18   5.16 158.21) = 100.000%  kept
          HA    LEU   71 - HN    LYS+ 102  15.09 +/- 0.75   0.006% *  0.8828% (0.41   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LYS+ 102  20.76 +/- 0.90   0.001% *  2.1426% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 749 (4.15, 7.76, 120.90 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 3.12, residual support = 12.5:
      O   HA1   GLY  101 - HN    LYS+ 102   3.25 +/- 0.13  99.866% * 96.2143% (0.61   3.12  12.48) =  99.999%  kept
          HA    ALA   34 - HN    LYS+ 102  10.53 +/- 0.92   0.099% *  0.4180% (0.41   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+ 102  13.41 +/- 1.17   0.022% *  0.2536% (0.25   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+ 102  18.83 +/- 1.14   0.003% *  1.0079% (0.99   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+ 102  19.72 +/- 0.37   0.002% *  0.7771% (0.76   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+ 102  18.25 +/- 0.33   0.003% *  0.2827% (0.28   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+ 102  20.07 +/- 0.87   0.002% *  0.3138% (0.31   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    LYS+ 102  19.29 +/- 1.19   0.002% *  0.1569% (0.15   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+ 102  24.42 +/- 0.45   0.001% *  0.5757% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 750 (3.54, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 3.12, residual support = 12.5:
      O   HA2   GLY  101 - HN    LYS+ 102   3.34 +/- 0.37  99.989% * 97.9746% (0.28   3.12  12.48) = 100.000%  kept
          HB2   TRP   27 - HN    LYS+ 102  16.21 +/- 1.07   0.010% *  1.0127% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    LYS+ 102  23.08 +/- 0.40   0.001% *  1.0127% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 0.721, support = 0.0182, residual support = 0.0182:
          QB    GLU- 114 - HN    LYS+ 102  16.66 +/- 0.33  20.876% * 12.0512% (0.84   0.02   0.02) =  25.460%  kept
          QB    GLU-  15 - HN    LYS+ 102  17.85 +/- 1.41  14.419% * 13.6482% (0.95   0.02   0.02) =  19.915%  kept
          HB    ILE   19 - HN    LYS+ 102  17.17 +/- 0.89  17.191% * 11.0262% (0.76   0.02   0.02) =  19.182%  kept
          HG3   GLN   30 - HN    LYS+ 102  16.13 +/- 1.08  25.328% *  3.5976% (0.25   0.02   0.02) =   9.221%  kept
          HB3   GLU-  25 - HN    LYS+ 102  21.50 +/- 1.26   4.491% * 14.4279% (1.00   0.02   0.02) =   6.557%  kept
          HB2   LYS+ 111 - HN    LYS+ 102  21.73 +/- 0.46   4.248% * 12.9393% (0.90   0.02   0.02) =   5.562%  kept
          HG2   PRO   68 - HN    LYS+ 102  21.08 +/- 0.46   5.024% *  9.9106% (0.69   0.02   0.02) =   5.039%  kept
          HB3   PRO   68 - HN    LYS+ 102  20.96 +/- 0.51   5.182% *  8.7509% (0.61   0.02   0.02) =   4.589%
          HB2   GLN   17 - HN    LYS+ 102  22.63 +/- 0.74   3.240% * 13.6482% (0.95   0.02   0.02) =   4.475%
    Distance limit 4.78 A violated in 20 structures by 8.18 A, eliminated.
    Peak unassigned.
 
    Peak 752 (1.81, 7.76, 120.90 ppm):
    10 chemical-shift based assignments, quality = 0.98, support = 4.65, residual support = 158.2:
      O   QB    LYS+ 102 - HN    LYS+ 102   2.51 +/- 0.10  99.139% * 97.6523% (0.98   4.65 158.21) =  99.998%  kept
          HG12  ILE  103 - HN    LYS+ 102   6.04 +/- 0.43   0.554% *  0.1922% (0.45   0.02  22.53) =   0.001%
          HB    VAL   41 - HN    LYS+ 102   7.27 +/- 1.53   0.300% *  0.2600% (0.61   0.02   0.02) =   0.001%
          HB2   LEU   71 - HN    LYS+ 102  13.32 +/- 0.94   0.005% *  0.3845% (0.90   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LYS+ 102  17.37 +/- 0.50   0.001% *  0.3433% (0.80   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LYS+ 102  20.43 +/- 0.41   0.000% *  0.3957% (0.92   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+ 102  22.48 +/- 0.43   0.000% *  0.4202% (0.98   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+ 102  22.74 +/- 0.96   0.000% *  0.1609% (0.38   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+ 102  22.22 +/- 0.61   0.000% *  0.0954% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+ 102  27.40 +/- 0.41   0.000% *  0.0954% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 753 (1.42, 7.76, 120.90 ppm):
    12 chemical-shift based assignments, quality = 0.278, support = 3.73, residual support = 107.7:
          HG2   LYS+ 102 - HN    LYS+ 102   3.68 +/- 0.34  52.478% * 60.4069% (0.28   4.40 158.21) =  67.426%  kept
          QB    LEU   98 - HN    LYS+ 102   3.89 +/- 0.90  47.441% * 32.2806% (0.28   2.35   3.07) =  32.573%  kept
          HD3   LYS+ 121 - HN    LYS+ 102  12.92 +/- 0.69   0.029% *  0.5589% (0.57   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+ 102  13.53 +/- 1.69   0.024% *  0.3705% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+ 102  15.13 +/- 0.73   0.010% *  0.7544% (0.76   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LYS+ 102  18.48 +/- 1.29   0.003% *  0.9850% (1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+ 102  19.50 +/- 1.26   0.002% *  0.9784% (0.99   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+ 102  20.02 +/- 0.33   0.002% *  0.9850% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 102  19.34 +/- 1.13   0.002% *  0.7168% (0.73   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+ 102  20.04 +/- 0.44   0.002% *  0.8853% (0.90   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+ 102  18.96 +/- 0.87   0.003% *  0.5589% (0.57   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 102  20.55 +/- 0.88   0.002% *  0.5194% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 754 (0.74, 7.76, 120.90 ppm):
    7 chemical-shift based assignments, quality = 0.335, support = 2.37, residual support = 2.47:
          QD1   LEU   98 - HN    LYS+ 102   4.22 +/- 1.20  48.751% * 69.4532% (0.18   2.95   3.07) =  79.053%  kept
          QD2   LEU  104 - HN    LYS+ 102   4.22 +/- 0.88  42.028% * 21.1420% (0.95   0.17   0.17) =  20.745%  kept
          QG1   VAL   41 - HN    LYS+ 102   5.66 +/- 0.80   8.897% *  0.9175% (0.34   0.02   0.02) =   0.191%
          QG1   VAL   43 - HN    LYS+ 102   9.76 +/- 0.96   0.296% *  1.4151% (0.53   0.02   0.02) =   0.010%
          QD1   ILE   19 - HN    LYS+ 102  15.74 +/- 0.88   0.013% *  2.6837% (1.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    LYS+ 102  16.61 +/- 1.05   0.010% *  2.0555% (0.76   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LYS+ 102  18.90 +/- 0.91   0.005% *  2.3331% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 755 (3.88, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 6.31, residual support = 39.8:
      O   HA    ILE   89 - HN    GLN   90   2.71 +/- 0.35  99.976% * 98.6662% (0.61   6.31  39.83) = 100.000%  kept
          HB3   SER   82 - HN    GLN   90  12.12 +/- 0.87   0.021% *  0.0903% (0.18   0.02   0.02) =   0.000%
          HB    THR  118 - HN    GLN   90  17.06 +/- 0.54   0.002% *  0.4877% (0.95   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   90  22.88 +/- 0.69   0.000% *  0.2311% (0.45   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   90  24.95 +/- 0.66   0.000% *  0.3127% (0.61   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   90  27.16 +/- 2.78   0.000% *  0.2120% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 756 (2.26, 8.62, 127.39 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 5.68, residual support = 89.7:
          QG    GLN   90 - HN    GLN   90   2.80 +/- 0.48  99.695% * 97.8097% (0.90   5.68  89.73) =  99.999%  kept
          HG3   MET   92 - HN    GLN   90   8.43 +/- 0.78   0.266% *  0.2329% (0.61   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    GLN   90  11.70 +/- 0.65   0.028% *  0.2789% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLN   90  16.55 +/- 1.10   0.004% *  0.3208% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLN   90  18.91 +/- 0.61   0.002% *  0.3806% (0.99   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLN   90  16.92 +/- 0.60   0.004% *  0.0958% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLN   90  21.42 +/- 1.12   0.001% *  0.2789% (0.73   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    GLN   90  23.13 +/- 1.51   0.001% *  0.2329% (0.61   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    GLN   90  24.33 +/- 1.26   0.000% *  0.2935% (0.76   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLN   90  31.59 +/- 3.22   0.000% *  0.0760% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 758 (1.87, 8.62, 127.39 ppm):
    13 chemical-shift based assignments, quality = 0.923, support = 5.59, residual support = 89.7:
      O   HB3   GLN   90 - HN    GLN   90   3.66 +/- 0.17  95.080% * 96.8612% (0.92   5.59  89.73) =  99.989%  kept
          HB2   MET   92 - HN    GLN   90   6.71 +/- 0.82   3.569% *  0.1410% (0.38   0.02   0.02) =   0.005%
          QB    LYS+  81 - HN    GLN   90   7.98 +/- 0.70   1.075% *  0.3626% (0.97   0.02   0.02) =   0.004%
          QB    LYS+ 106 - HN    GLN   90  10.77 +/- 0.71   0.161% *  0.3683% (0.98   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    GLN   90  12.58 +/- 0.28   0.059% *  0.3259% (0.87   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   90  16.11 +/- 0.68   0.014% *  0.2728% (0.73   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   90  16.59 +/- 0.80   0.012% *  0.2871% (0.76   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   90  16.39 +/- 0.75   0.012% *  0.2581% (0.69   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    GLN   90  17.57 +/- 0.88   0.009% *  0.1977% (0.53   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    GLN   90  20.62 +/- 0.67   0.003% *  0.3259% (0.87   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   90  20.10 +/- 0.27   0.004% *  0.0836% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   90  27.34 +/- 0.62   0.001% *  0.2728% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   90  27.31 +/- 0.56   0.001% *  0.2430% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.01 A, kept.
 
    Peak 759 (0.64, 8.62, 127.39 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 7.16, residual support = 39.8:
          QG2   ILE   89 - HN    GLN   90   1.93 +/- 0.28 100.000% *100.0000% (0.65   7.16  39.83) = 100.000%  kept
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 760 (0.11, 8.62, 127.39 ppm):
    4 chemical-shift based assignments, quality = 0.487, support = 5.76, residual support = 39.8:
          QD1   ILE   89 - HN    GLN   90   3.97 +/- 0.10  96.649% * 99.5360% (0.49   5.76  39.83) =  99.994%  kept
          QG2   VAL   83 - HN    GLN   90   8.01 +/- 0.88   1.821% *  0.1772% (0.25   0.02   0.02) =   0.003%
          QG2   VAL   75 - HN    GLN   90   8.27 +/- 0.84   1.476% *  0.1772% (0.25   0.02   0.02) =   0.003%
          QG2   VAL   42 - HN    GLN   90  13.89 +/- 0.49   0.055% *  0.1096% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 761 (3.98, 7.91, 118.70 ppm):
    13 chemical-shift based assignments, quality = 0.991, support = 4.12, residual support = 7.09:
      O   HA    ALA   88 - HN    ILE   89   3.07 +/- 0.15  96.696% * 97.1625% (0.99   4.12   7.09) =  99.996%  kept
          QB    SER   85 - HN    ILE   89   5.46 +/- 0.50   3.200% *  0.1060% (0.22   0.02   0.02) =   0.004%
          HB2   SER   82 - HN    ILE   89  10.24 +/- 0.51   0.071% *  0.3080% (0.65   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   89  13.21 +/- 0.91   0.017% *  0.4595% (0.97   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ILE   89  14.51 +/- 0.24   0.009% *  0.4130% (0.87   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ILE   89  19.76 +/- 0.50   0.001% *  0.4667% (0.98   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ILE   89  18.95 +/- 0.38   0.002% *  0.2696% (0.57   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   89  19.41 +/- 0.46   0.002% *  0.2505% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   89  22.62 +/- 0.38   0.001% *  0.1787% (0.38   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   89  21.38 +/- 0.46   0.001% *  0.0735% (0.15   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ILE   89  21.41 +/- 0.29   0.001% *  0.0735% (0.15   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ILE   89  24.32 +/- 0.36   0.000% *  0.1324% (0.28   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ILE   89  26.48 +/- 0.50   0.000% *  0.1060% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 1 structures by 0.01 A, kept.
 
    Peak 762 (3.89, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.98, residual support = 214.8:
      O   HA    ILE   89 - HN    ILE   89   2.87 +/- 0.14  99.995% * 98.3508% (0.34   5.98 214.84) = 100.000%  kept
          HB    THR  118 - HN    ILE   89  17.75 +/- 0.50   0.002% *  0.7001% (0.73   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    ILE   89  17.02 +/- 0.34   0.002% *  0.2147% (0.22   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE   89  21.58 +/- 0.48   0.001% *  0.2147% (0.22   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE   89  23.38 +/- 0.55   0.000% *  0.3289% (0.34   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE   89  27.38 +/- 2.62   0.000% *  0.1908% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (1.75, 7.91, 118.70 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.55, residual support = 214.8:
      O   HB    ILE   89 - HN    ILE   89   2.68 +/- 0.21  99.889% * 98.8990% (0.45   5.55 214.84) = 100.000%  kept
          QD    LYS+  81 - HN    ILE   89   9.32 +/- 0.63   0.064% *  0.3562% (0.45   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    ILE   89   9.89 +/- 0.53   0.047% *  0.4180% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ILE   89  19.48 +/- 0.53   0.001% *  0.3267% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 1 structures by 0.01 A, kept.
 
    Peak 764 (1.23, 7.91, 118.70 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.73, residual support = 214.8:
          HG12  ILE   89 - HN    ILE   89   1.96 +/- 0.10  99.899% * 97.9032% (0.76   5.73 214.84) = 100.000%  kept
          QB    ALA   91 - HN    ILE   89   6.63 +/- 0.89   0.100% *  0.1381% (0.31   0.02   7.83) =   0.000%
          HG2   LYS+  74 - HN    ILE   89  13.68 +/- 0.56   0.001% *  0.3881% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   89  14.96 +/- 0.73   0.001% *  0.3074% (0.69   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   89  20.04 +/- 0.73   0.000% *  0.4013% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   89  21.18 +/- 0.54   0.000% *  0.3737% (0.84   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   89  20.35 +/- 0.40   0.000% *  0.2895% (0.65   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   89  18.78 +/- 0.38   0.000% *  0.1381% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   89  25.53 +/- 0.75   0.000% *  0.0606% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 765 (0.63, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.32, residual support = 214.8:
          QG2   ILE   89 - HN    ILE   89   3.77 +/- 0.02  98.648% * 99.7852% (1.00   6.32 214.84) =  99.998%  kept
          QG1   VAL   83 - HN    ILE   89   7.82 +/- 0.46   1.337% *  0.1661% (0.53   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    ILE   89  16.63 +/- 0.79   0.014% *  0.0487% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 766 (-0.07, 7.91, 118.70 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 5.5, residual support = 214.8:
          HG13  ILE   89 - HN    ILE   89   3.32 +/- 0.15 100.000% *100.0000% (0.90   5.50 214.84) = 100.000%  kept
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 768 (3.99, 7.82, 121.71 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 1.63, residual support = 11.2:
      O   HA    ALA   88 - HN    ALA   88   2.22 +/- 0.01  99.982% * 91.6032% (0.84   1.63  11.15) = 100.000%  kept
          HB2   SER   82 - HN    ALA   88   9.58 +/- 0.46   0.016% *  1.2050% (0.90   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   88  15.48 +/- 0.88   0.001% *  1.3170% (0.98   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   88  17.05 +/- 0.25   0.000% *  0.8149% (0.61   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ALA   88  19.15 +/- 0.46   0.000% *  1.0759% (0.80   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA   88  19.21 +/- 0.39   0.000% *  1.0759% (0.80   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   88  20.50 +/- 0.33   0.000% *  1.1223% (0.84   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ALA   88  22.51 +/- 0.26   0.000% *  0.8692% (0.65   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   88  22.26 +/- 0.27   0.000% *  0.4583% (0.34   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   88  23.09 +/- 0.42   0.000% *  0.4583% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 769 (1.33, 7.82, 121.71 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 1.87, residual support = 11.2:
      O   QB    ALA   88 - HN    ALA   88   2.87 +/- 0.06  95.588% * 91.3428% (0.73   1.87  11.15) =  99.988%  kept
          QB    ALA   84 - HN    ALA   88   4.94 +/- 0.30   4.005% *  0.2074% (0.15   0.02   0.02) =   0.010%
          QG2   THR   77 - HN    ALA   88   7.59 +/- 0.51   0.325% *  0.4585% (0.34   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    ALA   88  10.36 +/- 1.08   0.055% *  0.9233% (0.69   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    ALA   88  15.31 +/- 0.34   0.004% *  1.1228% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   88  15.83 +/- 0.71   0.004% *  1.2055% (0.90   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   88  13.21 +/- 1.29   0.012% *  0.2993% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   88  14.94 +/- 0.35   0.005% *  0.6026% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   88  20.97 +/- 0.33   0.001% *  1.3442% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   88  20.14 +/- 0.43   0.001% *  0.7610% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ALA   88  24.19 +/- 0.67   0.000% *  1.3176% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   88  27.02 +/- 0.56   0.000% *  0.4149% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (3.42, 7.69, 117.92 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 3.84, residual support = 65.7:
      O   HB2   TRP   87 - HN    TRP   87   3.59 +/- 0.04  99.967% * 99.1873% (0.73   3.84  65.68) = 100.000%  kept
          HB    THR   46 - HN    TRP   87  14.21 +/- 0.44   0.027% *  0.2427% (0.34   0.02   0.02) =   0.000%
          HB2   PHE   60 - HN    TRP   87  18.44 +/- 0.31   0.005% *  0.4603% (0.65   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    TRP   87  24.13 +/- 0.47   0.001% *  0.1098% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 3.81, residual support = 22.3:
          HB2   ASP-  86 - HN    TRP   87   3.09 +/- 0.14  99.940% * 97.3992% (0.80   3.81  22.29) = 100.000%  kept
          HB2   ASN   28 - HN    TRP   87  13.40 +/- 0.64   0.016% *  0.6384% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    TRP   87  13.58 +/- 0.30   0.014% *  0.3359% (0.53   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    TRP   87  12.46 +/- 0.29   0.024% *  0.0985% (0.15   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    TRP   87  18.53 +/- 1.02   0.002% *  0.6257% (0.98   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    TRP   87  17.43 +/- 0.75   0.003% *  0.2862% (0.45   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    TRP   87  24.39 +/- 0.98   0.000% *  0.6161% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.50, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.37, residual support = 65.7:
      O   HB3   TRP   87 - HN    TRP   87   2.37 +/- 0.07  99.999% * 99.1360% (1.00   3.37  65.68) = 100.000%  kept
          HG2   GLU-  25 - HN    TRP   87  16.11 +/- 0.90   0.001% *  0.2867% (0.49   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    TRP   87  24.77 +/- 0.40   0.000% *  0.5773% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 773 (1.30, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 2.15, residual support = 4.9:
          QB    ALA   88 - HN    TRP   87   4.48 +/- 0.03  94.636% * 96.5565% (0.53   2.16   4.91) =  99.913%  kept
          QG2   THR   77 - HN    TRP   87   7.44 +/- 0.51   5.044% *  1.5269% (0.90   0.02   0.02) =   0.084%
          QG2   THR   23 - HN    TRP   87  12.59 +/- 0.39   0.198% *  0.8958% (0.53   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    TRP   87  14.00 +/- 0.33   0.104% *  0.3791% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    TRP   87  19.79 +/- 0.34   0.013% *  0.2627% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    TRP   87  22.65 +/- 0.75   0.006% *  0.3791% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 774 (0.08, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 1.58, residual support = 15.4:
          QD1   ILE   89 - HN    TRP   87   4.91 +/- 0.30  30.257% * 75.5647% (0.76   2.30  13.62) =  58.179%  kept
          QG2   VAL   83 - HN    TRP   87   4.23 +/- 0.33  69.362% * 23.6899% (0.97   0.57  17.88) =  41.813%  kept
          QD2   LEU   31 - HN    TRP   87  10.07 +/- 0.34   0.381% *  0.7453% (0.87   0.02   2.24) =   0.007%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 775 (0.10, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 0.922, residual support = 17.9:
          QG2   VAL   83 - HE1   TRP   87   2.21 +/- 0.61  99.545% * 96.6067% (0.45   0.92  17.88) =  99.984%  kept
          QD1   ILE   89 - HE1   TRP   87   6.80 +/- 0.31   0.455% *  3.3933% (0.73   0.02  13.62) =   0.016%
    Distance limit 4.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (3.97, 8.31, 124.24 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.33, residual support = 13.3:
          QB    SER   85 - HN    ASP-  86   2.86 +/- 0.17  96.547% * 96.0040% (0.76   3.33  13.32) =  99.987%  kept
          HA    ALA   88 - HN    ASP-  86   5.50 +/- 0.12   2.023% *  0.5179% (0.69   0.02   0.02) =   0.011%
          HB2   SER   82 - HN    ASP-  86   6.03 +/- 0.57   1.373% *  0.1163% (0.15   0.02   0.02) =   0.002%
          HB    THR   94 - HN    ASP-  86  10.71 +/- 0.32   0.038% *  0.1163% (0.15   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ASP-  86  13.56 +/- 0.57   0.010% *  0.1679% (0.22   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASP-  86  15.52 +/- 0.61   0.004% *  0.3380% (0.45   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ASP-  86  17.46 +/- 0.51   0.002% *  0.5475% (0.73   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASP-  86  18.57 +/- 0.43   0.001% *  0.6762% (0.90   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ASP-  86  26.54 +/- 0.40   0.000% *  0.6298% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ASP-  86  27.62 +/- 0.59   0.000% *  0.5762% (0.76   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ASP-  86  29.02 +/- 0.37   0.000% *  0.3100% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 777 (3.82, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 2.25, residual support = 10.8:
          HA    VAL   83 - HN    ASP-  86   3.10 +/- 0.08  99.992% * 95.3192% (0.61   2.25  10.83) = 100.000%  kept
          HA    GLN   30 - HN    ASP-  86  17.37 +/- 0.48   0.003% *  0.8473% (0.61   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    ASP-  86  19.48 +/- 0.64   0.002% *  1.3481% (0.97   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  86  19.43 +/- 0.43   0.002% *  0.7350% (0.53   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  86  20.15 +/- 0.66   0.001% *  0.7909% (0.57   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    ASP-  86  24.35 +/- 0.43   0.000% *  0.9596% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 778 (2.93, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 4.87, residual support = 41.0:
      O   HB2   ASP-  86 - HN    ASP-  86   2.42 +/- 0.12  99.990% * 98.4819% (0.98   4.87  40.96) = 100.000%  kept
          HB2   ASN   28 - HN    ASP-  86  12.71 +/- 0.69   0.005% *  0.3698% (0.90   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASP-  86  13.32 +/- 0.33   0.004% *  0.1146% (0.28   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASP-  86  17.93 +/- 0.74   0.001% *  0.2994% (0.73   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  86  18.82 +/- 1.17   0.000% *  0.3302% (0.80   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  86  25.73 +/- 1.07   0.000% *  0.4042% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 779 (2.46, 8.31, 124.24 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.56, residual support = 41.0:
      O   HB3   ASP-  86 - HN    ASP-  86   2.69 +/- 0.40  99.977% * 96.0954% (0.41   3.56  40.96) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  86  11.79 +/- 0.54   0.021% *  1.3022% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  86  17.87 +/- 0.61   0.002% *  0.3653% (0.28   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  86  22.88 +/- 0.61   0.000% *  1.1397% (0.87   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    ASP-  86  25.67 +/- 0.49   0.000% *  1.0974% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 780 (3.97, 8.05, 111.48 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.15, residual support = 18.1:
      O   QB    SER   85 - HN    SER   85   2.19 +/- 0.10  99.320% * 95.7840% (0.76   3.15  18.07) =  99.998%  kept
          HA    ALA   88 - HN    SER   85   5.83 +/- 0.22   0.295% *  0.5464% (0.69   0.02   0.02) =   0.002%
          HB2   SER   82 - HN    SER   85   5.61 +/- 0.16   0.366% *  0.1227% (0.15   0.02   1.58) =   0.000%
          HB    THR   94 - HN    SER   85  10.32 +/- 0.34   0.010% *  0.1227% (0.15   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER   85  11.39 +/- 0.59   0.006% *  0.1771% (0.22   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   85  13.23 +/- 0.65   0.002% *  0.3566% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   85  16.84 +/- 0.48   0.001% *  0.7134% (0.90   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   85  18.94 +/- 0.53   0.000% *  0.5776% (0.73   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   85  26.32 +/- 0.38   0.000% *  0.6644% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   85  27.55 +/- 0.52   0.000% *  0.6079% (0.76   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   85  29.43 +/- 0.39   0.000% *  0.3270% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.13 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  99.769% * 96.1672% (0.49   3.27  20.74) =  99.999%  kept
          HA    VAL   75 - HN    SER   85  10.12 +/- 0.32   0.205% *  0.6360% (0.53   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    SER   85  15.31 +/- 0.44   0.017% *  0.3731% (0.31   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    SER   85  18.23 +/- 0.45   0.006% *  0.8304% (0.69   0.02   0.02) =   0.000%
          HA    THR  118 - HN    SER   85  23.94 +/- 0.40   0.001% *  0.7332% (0.61   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    SER   85  25.02 +/- 0.38   0.001% *  0.9239% (0.76   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    SER   85  22.63 +/- 0.39   0.002% *  0.3361% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 782 (1.36, 8.05, 111.48 ppm):
    16 chemical-shift based assignments, quality = 0.998, support = 3.87, residual support = 20.7:
          QB    ALA   84 - HN    SER   85   2.73 +/- 0.10  99.504% * 95.9084% (1.00   3.87  20.74) =  99.999%  kept
          HB3   LEU   80 - HN    SER   85   6.89 +/- 0.80   0.470% *  0.2616% (0.53   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    SER   85  15.21 +/- 0.25   0.003% *  0.4972% (1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    SER   85  15.48 +/- 1.04   0.003% *  0.4798% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   85  13.67 +/- 0.40   0.007% *  0.1866% (0.38   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    SER   85  15.64 +/- 0.35   0.003% *  0.3800% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    SER   85  14.89 +/- 0.47   0.004% *  0.1866% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   85  16.55 +/- 0.78   0.002% *  0.3016% (0.61   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   85  18.42 +/- 0.29   0.001% *  0.1535% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    SER   85  21.29 +/- 0.51   0.000% *  0.3216% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    SER   85  19.00 +/- 0.69   0.001% *  0.1535% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   85  21.20 +/- 1.10   0.000% *  0.2044% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    SER   85  21.51 +/- 1.38   0.000% *  0.1240% (0.25   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   85  24.35 +/- 0.40   0.000% *  0.2420% (0.49   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    SER   85  28.92 +/- 0.49   0.000% *  0.4459% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   85  26.51 +/- 1.18   0.000% *  0.1535% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 783 (3.70, 7.58, 119.96 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 4.05, residual support = 18.6:
      O   HA    ALA   84 - HN    ALA   84   2.74 +/- 0.01  99.747% * 96.8852% (0.49   4.05  18.63) =  99.999%  kept
          HA    VAL   75 - HN    ALA   84   7.51 +/- 0.37   0.247% *  0.5169% (0.53   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    ALA   84  15.48 +/- 0.36   0.003% *  0.3032% (0.31   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA   84  17.77 +/- 0.37   0.001% *  0.6748% (0.69   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA   84  23.77 +/- 0.43   0.000% *  0.7508% (0.76   0.02   0.02) =   0.000%
          HA    THR  118 - HN    ALA   84  23.10 +/- 0.45   0.000% *  0.5959% (0.61   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ALA   84  21.30 +/- 0.39   0.000% *  0.2732% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 5.21, residual support = 41.6:
          HB    VAL   83 - HN    ALA   84   2.70 +/- 0.35  99.961% * 97.8016% (0.99   5.21  41.61) = 100.000%  kept
          HD2   LYS+  74 - HN    ALA   84  12.39 +/- 1.55   0.021% *  0.1557% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA   84  15.55 +/- 0.34   0.004% *  0.1992% (0.53   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    ALA   84  14.03 +/- 0.61   0.008% *  0.0663% (0.18   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ALA   84  18.16 +/- 1.17   0.002% *  0.2749% (0.73   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    ALA   84  16.66 +/- 0.47   0.003% *  0.0663% (0.18   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   84  22.80 +/- 1.09   0.000% *  0.3654% (0.97   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   84  22.76 +/- 0.54   0.000% *  0.3753% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   84  23.90 +/- 0.50   0.000% *  0.3582% (0.95   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA   84  21.91 +/- 0.43   0.000% *  0.0944% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   84  21.44 +/- 0.54   0.001% *  0.0584% (0.15   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ALA   84  29.54 +/- 0.47   0.000% *  0.1843% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 785 (1.36, 7.58, 119.96 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 4.27, residual support = 18.6:
      O   QB    ALA   84 - HN    ALA   84   1.98 +/- 0.06  97.471% * 95.6744% (0.87   4.28  18.63) =  99.996%  kept
          HB3   LEU   80 - HN    ALA   84   4.31 +/- 0.95   2.522% *  0.1435% (0.28   0.02   0.02) =   0.004%
          HB3   LEU   73 - HN    ALA   84  11.09 +/- 0.45   0.003% *  0.3338% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   84  14.28 +/- 0.28   0.001% *  0.4628% (0.90   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   84  14.39 +/- 1.01   0.001% *  0.3943% (0.76   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   84  13.87 +/- 0.31   0.001% *  0.2512% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   84  16.17 +/- 0.90   0.000% *  0.4476% (0.87   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   84  13.06 +/- 0.44   0.001% *  0.0904% (0.18   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   84  16.43 +/- 0.34   0.000% *  0.2921% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   84  19.24 +/- 1.33   0.000% *  0.2512% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   84  20.72 +/- 1.10   0.000% *  0.3544% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   84  19.52 +/- 0.58   0.000% *  0.1937% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   84  23.98 +/- 0.29   0.000% *  0.3943% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   84  24.26 +/- 1.29   0.000% *  0.2921% (0.57   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   84  27.67 +/- 0.53   0.000% *  0.3338% (0.65   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   84  25.09 +/- 2.10   0.000% *  0.0904% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 0.672, support = 5.69, residual support = 40.7:
          QG1   VAL   83 - HN    ALA   84   3.82 +/- 0.46  72.190% * 93.2904% (0.69   5.81  41.61) =  97.902%  kept
          QD2   LEU   80 - HN    ALA   84   4.70 +/- 0.65  27.496% *  5.2444% (0.95   0.24   0.02) =   2.096%
          QD1   LEU   73 - HN    ALA   84   9.81 +/- 0.38   0.282% *  0.2836% (0.61   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    ALA   84  15.46 +/- 0.48   0.019% *  0.2836% (0.61   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   84  17.93 +/- 0.77   0.008% *  0.4665% (1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   84  18.74 +/- 0.36   0.006% *  0.4316% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 787 (0.07, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 6.34, residual support = 41.6:
          QG2   VAL   83 - HN    ALA   84   3.09 +/- 0.51  97.623% * 99.3006% (0.76   6.34  41.61) =  99.996%  kept
          QD1   ILE   89 - HN    ALA   84   6.69 +/- 0.24   1.470% *  0.1994% (0.49   0.02  11.83) =   0.003%
          QG2   VAL   43 - HN    ALA   84   7.40 +/- 0.49   0.772% *  0.0912% (0.22   0.02   0.02) =   0.001%
          QD2   LEU   31 - HN    ALA   84   9.69 +/- 0.47   0.136% *  0.4088% (1.00   0.02   0.02) =   0.001%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 788 (4.00, 6.59, 123.60 ppm):
    10 chemical-shift based assignments, quality = 0.755, support = 4.1, residual support = 21.1:
          HB2   SER   82 - HN    VAL   83   3.34 +/- 0.27  99.722% * 97.0101% (0.75   4.10  21.06) =  99.999%  kept
          HA    ALA   88 - HN    VAL   83   9.45 +/- 0.23   0.216% *  0.2680% (0.43   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    VAL   83  14.25 +/- 0.57   0.019% *  0.4641% (0.74   0.02   0.02) =   0.000%
          HA    SER   48 - HN    VAL   83  13.90 +/- 0.47   0.022% *  0.3791% (0.60   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    VAL   83  16.45 +/- 0.56   0.008% *  0.2491% (0.40   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    VAL   83  18.33 +/- 0.63   0.004% *  0.4692% (0.75   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   83  19.35 +/- 0.52   0.003% *  0.4246% (0.68   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   83  18.48 +/- 0.39   0.004% *  0.1615% (0.26   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    VAL   83  21.72 +/- 0.52   0.001% *  0.2871% (0.46   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   83  27.10 +/- 0.46   0.000% *  0.2871% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.51 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 = 4.74, residual support = 87.2:
      O   HA    VAL   83 - HN    VAL   83   2.85 +/- 0.01  99.992% * 97.7213% (0.46   4.74  87.21) = 100.000%  kept
          HA    GLN   30 - HN    VAL   83  15.15 +/- 0.57   0.005% *  0.4125% (0.46   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    VAL   83  18.78 +/- 0.58   0.001% *  0.6563% (0.73   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    VAL   83  19.53 +/- 0.39   0.001% *  0.3578% (0.40   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    VAL   83  20.87 +/- 0.77   0.001% *  0.3850% (0.43   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    VAL   83  24.09 +/- 0.48   0.000% *  0.4671% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 4.81, residual support = 87.2:
      O   HB    VAL   83 - HN    VAL   83   2.39 +/- 0.40  99.989% * 97.6223% (0.75   4.81  87.21) = 100.000%  kept
          HD2   LYS+  74 - HN    VAL   83  13.83 +/- 1.62   0.005% *  0.1684% (0.31   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    VAL   83  18.77 +/- 1.13   0.001% *  0.2974% (0.55   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    VAL   83  18.00 +/- 0.37   0.001% *  0.2155% (0.40   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    VAL   83  16.56 +/- 0.62   0.001% *  0.0717% (0.13   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    VAL   83  22.78 +/- 0.58   0.000% *  0.4059% (0.75   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    VAL   83  18.40 +/- 0.48   0.001% *  0.0717% (0.13   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    VAL   83  24.11 +/- 1.17   0.000% *  0.3952% (0.73   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    VAL   83  25.79 +/- 0.58   0.000% *  0.3874% (0.71   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    VAL   83  24.40 +/- 0.44   0.000% *  0.1021% (0.19   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    VAL   83  23.90 +/- 0.55   0.000% *  0.0632% (0.12   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    VAL   83  31.49 +/- 0.54   0.000% *  0.1993% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 2 structures by 0.01 A, kept.
 
    Peak 791 (1.39, 6.59, 123.60 ppm):
    13 chemical-shift based assignments, quality = 0.187, support = 0.0199, residual support = 0.0199:
          HB2   LEU   80 - HN    VAL   83   3.48 +/- 0.55  99.759% *  2.8578% (0.19   0.02   0.02) =  99.329%  kept
          HB3   LEU   73 - HN    VAL   83  11.80 +/- 0.69   0.106% *  9.9416% (0.65   0.02   0.02) =   0.366%
          QB    LEU   98 - HN    VAL   83  13.89 +/- 0.54   0.036% *  7.8727% (0.52   0.02   0.02) =   0.098%
          HB3   LYS+  74 - HN    VAL   83  13.18 +/- 0.60   0.053% *  4.7118% (0.31   0.02   0.02) =   0.087%
          HG3   LYS+  33 - HN    VAL   83  18.91 +/- 1.57   0.009% * 11.0607% (0.73   0.02   0.02) =   0.036%
          HB    VAL   42 - HN    VAL   83  17.80 +/- 0.49   0.008% * 10.5799% (0.70   0.02   0.02) =   0.030%
          HG3   LYS+ 106 - HN    VAL   83  17.92 +/- 0.93   0.009% *  7.4142% (0.49   0.02   0.02) =   0.023%
          HG3   LYS+ 102 - HN    VAL   83  21.33 +/- 1.28   0.003% *  9.5730% (0.63   0.02   0.02) =   0.010%
          HB3   PRO   93 - HN    VAL   83  16.72 +/- 0.34   0.012% *  1.7684% (0.12   0.02   0.02) =   0.007%
          QB    ALA   12 - HN    VAL   83  25.06 +/- 2.17   0.001% * 10.5799% (0.70   0.02   0.02) =   0.004%
          HG3   LYS+  65 - HN    VAL   83  25.75 +/- 1.42   0.001% * 10.5799% (0.70   0.02   0.02) =   0.004%
          HB2   LYS+ 112 - HN    VAL   83  26.49 +/- 0.31   0.001% *  8.7588% (0.58   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HN    VAL   83  25.08 +/- 0.77   0.001% *  4.3014% (0.28   0.02   0.02) =   0.002%
    Distance limit 4.02 A violated in 3 structures by 0.06 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 792 (0.61, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.748, support = 5.38, residual support = 87.2:
          QG1   VAL   83 - HN    VAL   83   2.36 +/- 0.23  82.291% * 99.2404% (0.75   5.38  87.21) =  99.967%  kept
          QD2   LEU   80 - HN    VAL   83   3.88 +/- 1.08  17.655% *  0.1531% (0.31   0.02   0.02) =   0.033%
          QG2   ILE   89 - HN    VAL   83   8.08 +/- 0.20   0.054% *  0.2259% (0.46   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    VAL   83  18.84 +/- 0.87   0.000% *  0.2409% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   83  20.69 +/- 0.42   0.000% *  0.1398% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 793 (0.09, 6.59, 123.60 ppm):
    3 chemical-shift based assignments, quality = 0.74, support = 5.36, residual support = 87.2:
          QG2   VAL   83 - HN    VAL   83   3.47 +/- 0.56  99.224% * 99.4054% (0.74   5.36  87.21) =  99.997%  kept
          QD1   ILE   89 - HN    VAL   83   8.63 +/- 0.26   0.517% *  0.3651% (0.73   0.02   0.02) =   0.002%
          QD2   LEU   31 - HN    VAL   83   9.74 +/- 0.63   0.259% *  0.2295% (0.46   0.02   0.02) =   0.001%
    Distance limit 4.25 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 = 4.02, residual support = 33.5:
      O   HB2   SER   82 - HN    SER   82   2.90 +/- 0.61  99.886% * 96.6428% (0.87   4.02  33.46) = 100.000%  kept
          HA    ALA   88 - HN    SER   82  10.35 +/- 0.25   0.082% *  0.1540% (0.28   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   82  13.21 +/- 0.51   0.018% *  0.2697% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    SER   82  16.18 +/- 0.65   0.006% *  0.5241% (0.95   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    SER   82  20.06 +/- 0.62   0.002% *  0.5115% (0.92   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    SER   82  21.65 +/- 0.57   0.001% *  0.5528% (1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   82  18.85 +/- 0.60   0.002% *  0.1382% (0.25   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    SER   82  24.11 +/- 0.50   0.001% *  0.4969% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   82  18.54 +/- 0.41   0.002% *  0.0750% (0.14   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    SER   82  28.78 +/- 0.40   0.000% *  0.4969% (0.90   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    SER   82  24.87 +/- 0.84   0.000% *  0.1382% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 3.42, residual support = 33.5:
      O   HB3   SER   82 - HN    SER   82   2.42 +/- 0.37  99.983% * 95.8661% (0.69   3.42  33.46) = 100.000%  kept
          HA    ILE   89 - HN    SER   82  11.21 +/- 0.26   0.015% *  0.8163% (1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   82  23.23 +/- 0.75   0.000% *  0.7878% (0.97   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    SER   82  17.26 +/- 0.63   0.001% *  0.1260% (0.15   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    SER   82  24.15 +/- 0.69   0.000% *  0.8163% (1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   82  26.42 +/- 3.14   0.000% *  0.7722% (0.95   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   82  19.44 +/- 0.42   0.001% *  0.1616% (0.20   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   82  25.22 +/- 0.42   0.000% *  0.6537% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 4.5, residual support = 12.7:
          QB    LYS+  81 - HN    SER   82   2.86 +/- 0.14  99.905% * 96.3092% (0.97   4.50  12.72) = 100.000%  kept
          HB3   GLN   90 - HN    SER   82   9.74 +/- 1.52   0.080% *  0.4099% (0.92   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    SER   82  16.59 +/- 0.57   0.003% *  0.4352% (0.98   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    SER   82  15.15 +/- 1.01   0.005% *  0.2336% (0.53   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    SER   82  18.20 +/- 0.56   0.002% *  0.3851% (0.87   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    SER   82  16.67 +/- 0.57   0.003% *  0.1666% (0.38   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    SER   82  20.04 +/- 0.67   0.001% *  0.3050% (0.69   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    SER   82  21.57 +/- 0.35   0.001% *  0.3851% (0.87   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    SER   82  22.74 +/- 0.66   0.000% *  0.3393% (0.76   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    SER   82  23.17 +/- 0.85   0.000% *  0.3224% (0.73   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    SER   82  27.52 +/- 0.60   0.000% *  0.3224% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    SER   82  30.69 +/- 0.53   0.000% *  0.2872% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    SER   82  27.78 +/- 0.41   0.000% *  0.0988% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 798 (0.61, 8.64, 114.33 ppm):
    7 chemical-shift based assignments, quality = 0.914, support = 4.09, residual support = 18.5:
          QG1   VAL   83 - HN    SER   82   4.39 +/- 0.23  59.355% * 81.7547% (0.95   4.49  21.06) =  87.612%  kept
          QD2   LEU   80 - HN    SER   82   4.89 +/- 1.15  39.694% * 17.2818% (0.69   1.31   0.18) =  12.385%  kept
          QG2   ILE   89 - HN    SER   82   8.99 +/- 0.19   0.794% *  0.1314% (0.34   0.02   0.02) =   0.002%
          QD1   LEU   73 - HN    SER   82  11.93 +/- 0.51   0.138% *  0.1189% (0.31   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    SER   82  21.06 +/- 0.84   0.005% *  0.3454% (0.90   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    SER   82  18.72 +/- 0.47   0.010% *  0.1189% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    SER   82  22.01 +/- 0.35   0.004% *  0.2491% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 799 (1.87, 7.29, 121.74 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.2, residual support = 101.1:
      O   QB    LYS+  81 - HN    LYS+  81   2.48 +/- 0.12  99.946% * 96.7930% (0.97   5.20 101.13) = 100.000%  kept
          HB3   GLN   90 - HN    LYS+  81   9.22 +/- 1.55   0.047% *  0.3561% (0.92   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  81  15.24 +/- 0.90   0.002% *  0.2030% (0.53   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  81  16.80 +/- 0.64   0.001% *  0.3782% (0.98   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  81  15.58 +/- 0.61   0.002% *  0.1448% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  81  18.49 +/- 0.48   0.001% *  0.3347% (0.87   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  81  20.03 +/- 0.36   0.000% *  0.3347% (0.87   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  81  20.95 +/- 0.93   0.000% *  0.2802% (0.73   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  81  20.96 +/- 0.70   0.000% *  0.2650% (0.69   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  81  22.72 +/- 0.69   0.000% *  0.2948% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  81  28.12 +/- 0.48   0.000% *  0.2802% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  81  29.89 +/- 0.46   0.000% *  0.2496% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  81  26.11 +/- 0.37   0.000% *  0.0859% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 800 (1.55, 7.29, 121.74 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 4.89, residual support = 101.1:
          QG    LYS+  81 - HN    LYS+  81   2.16 +/- 0.20  99.998% * 98.7598% (0.97   4.89 101.13) = 100.000%  kept
          HD3   LYS+  74 - HN    LYS+  81  13.53 +/- 1.00   0.002% *  0.1427% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HN    LYS+  81  20.12 +/- 1.17   0.000% *  0.3862% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+  81  20.72 +/- 0.57   0.000% *  0.3958% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    LYS+  81  22.00 +/- 0.39   0.000% *  0.1291% (0.31   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+  81  24.13 +/- 0.60   0.000% *  0.0932% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    LYS+  81  27.83 +/- 0.55   0.000% *  0.0932% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 801 (0.58, 7.29, 121.74 ppm):
    9 chemical-shift based assignments, quality = 0.424, support = 5.26, residual support = 30.7:
          QD2   LEU   80 - HN    LYS+  81   4.82 +/- 0.76  43.908% * 75.4286% (0.53   5.24  30.70) =  72.572%  kept
          QD1   LEU   80 - HN    LYS+  81   4.58 +/- 0.77  55.829% * 22.4188% (0.15   5.31  30.70) =  27.426%  kept
          QD1   LEU   73 - HN    LYS+  81  11.76 +/- 0.39   0.140% *  0.4905% (0.90   0.02   0.02) =   0.002%
          QG2   VAL   41 - HN    LYS+  81  14.00 +/- 0.35   0.049% *  0.1521% (0.28   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LYS+  81  17.96 +/- 0.50   0.011% *  0.4905% (0.90   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LYS+  81  14.08 +/- 0.58   0.049% *  0.0844% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LYS+  81  19.97 +/- 0.47   0.006% *  0.4568% (0.84   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  81  21.13 +/- 0.38   0.004% *  0.3096% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LYS+  81  21.43 +/- 0.76   0.004% *  0.1688% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 1 structures by 0.01 A, kept.
 
    Peak 802 (2.91, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.563, support = 3.11, residual support = 11.2:
          HB2   ASP-  78 - HN    GLU-  79   2.95 +/- 0.40  42.867% * 67.3257% (0.60   3.75  15.46) =  61.290%  kept
          HB2   ASP-  76 - HN    GLU-  79   2.79 +/- 0.40  57.117% * 31.9135% (0.51   2.09   4.49) =  38.710%  kept
          HB2   ASP-  86 - HN    GLU-  79  12.28 +/- 0.41   0.012% *  0.0496% (0.08   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    GLU-  79  15.26 +/- 0.50   0.003% *  0.1506% (0.25   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    GLU-  79  18.92 +/- 1.25   0.001% *  0.1927% (0.32   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  79  21.01 +/- 1.37   0.000% *  0.1019% (0.17   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    GLU-  79  26.89 +/- 0.51   0.000% *  0.2660% (0.44   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 804 (2.34, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.0941, support = 3.97, residual support = 54.2:
      O   HB2   GLU-  79 - HN    GLU-  79   2.32 +/- 0.14  99.996% * 92.1382% (0.09   3.97  54.15) = 100.000%  kept
          HG2   PRO   52 - HN    GLU-  79  13.99 +/- 0.54   0.002% *  1.3484% (0.27   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    GLU-  79  15.66 +/- 0.30   0.001% *  1.9456% (0.39   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    GLU-  79  21.68 +/- 0.39   0.000% *  2.4083% (0.49   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLU-  79  20.50 +/- 0.30   0.000% *  1.0259% (0.21   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLU-  79  25.99 +/- 0.30   0.000% *  0.6696% (0.14   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLU-  79  26.64 +/- 0.41   0.000% *  0.4641% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 805 (2.15, 8.02, 121.50 ppm):
    6 chemical-shift based assignments, quality = 0.588, support = 3.9, residual support = 54.2:
      O   HB3   GLU-  79 - HN    GLU-  79   3.26 +/- 0.33  99.609% * 98.2166% (0.59   3.90  54.15) =  99.998%  kept
          HB2   GLN   90 - HN    GLU-  79   8.85 +/- 1.60   0.378% *  0.3985% (0.47   0.02   0.02) =   0.002%
          HB3   GLU-  29 - HN    GLU-  79  16.59 +/- 0.85   0.006% *  0.4814% (0.56   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  79  17.09 +/- 0.48   0.005% *  0.2952% (0.35   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLU-  79  23.18 +/- 0.52   0.001% *  0.5169% (0.60   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  79  27.89 +/- 0.36   0.000% *  0.0913% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 819 (2.79, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 3.95, residual support = 36.7:
      O   HB3   ASP-  78 - HN    ASP-  78   2.37 +/- 0.48  99.557% * 97.1547% (0.49   3.95  36.67) =  99.996%  kept
          QB    CYS   50 - HN    ASP-  78   7.24 +/- 0.24   0.283% *  0.9755% (0.97   0.02   0.02) =   0.003%
          QE    LYS+  74 - HN    ASP-  78   8.73 +/- 1.31   0.157% *  0.9908% (0.98   0.02   0.02) =   0.002%
          HB2   PHE   72 - HN    ASP-  78  16.13 +/- 0.84   0.002% *  0.2250% (0.22   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ASP-  78  27.17 +/- 0.31   0.000% *  0.6539% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 0.95, support = 4.94, residual support = 30.2:
      O   HB2   ASP-  78 - HN    ASP-  78   2.78 +/- 0.24  78.520% * 51.2232% (0.98   4.83  36.67) =  79.492%  kept
          HB2   ASP-  76 - HN    ASP-  78   3.67 +/- 0.49  21.470% * 48.3274% (0.84   5.35   5.14) =  20.508%  kept
          HB2   ASP-  86 - HN    ASP-  78  13.22 +/- 0.45   0.007% *  0.0293% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  78  17.28 +/- 0.48   0.001% *  0.0890% (0.41   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  78  20.29 +/- 1.21   0.001% *  0.1139% (0.53   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  78  20.63 +/- 1.37   0.001% *  0.0602% (0.28   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  78  27.28 +/- 0.50   0.000% *  0.1571% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 4.76, residual support = 29.2:
      O   HA    THR   77 - HN    ASP-  78   3.50 +/- 0.03  99.893% * 99.6724% (0.92   4.76  29.16) = 100.000%  kept
          HD2   PRO   93 - HN    ASP-  78  11.99 +/- 0.51   0.064% *  0.1132% (0.25   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ASP-  78  12.99 +/- 0.50   0.039% *  0.1132% (0.25   0.02   0.02) =   0.000%
          HA    LEU   31 - HN    ASP-  78  19.15 +/- 0.45   0.004% *  0.1011% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 3.07, residual support = 5.14:
          HA    ASP-  76 - HN    ASP-  78   3.63 +/- 0.08  99.999% * 99.7178% (0.95   3.07   5.14) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  78  24.47 +/- 0.31   0.001% *  0.2822% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 823 (3.58, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.01, residual support = 37.7:
      O   HA    THR   77 - HN    THR   77   2.76 +/- 0.01  99.937% * 99.4267% (0.98   4.01  37.69) = 100.000%  kept
          HD2   PRO   93 - HN    THR   77   9.82 +/- 0.50   0.052% *  0.2867% (0.57   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    THR   77  12.50 +/- 0.51   0.012% *  0.2867% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 0.964, support = 4.14, residual support = 14.2:
          HB2   ASP-  76 - HN    THR   77   4.39 +/- 0.20  76.632% * 64.1905% (1.00   4.31  11.75) =  85.649%  kept
          HB2   ASP-  78 - HN    THR   77   5.42 +/- 0.31  23.325% * 35.3359% (0.76   3.10  29.16) =  14.351%  kept
          HB2   ASN   28 - HN    THR   77  16.95 +/- 0.54   0.024% *  0.0522% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    THR   77  19.36 +/- 1.11   0.011% *  0.0744% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    THR   77  25.18 +/- 0.51   0.002% *  0.2879% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    THR   77  21.54 +/- 0.45   0.006% *  0.0590% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 825 (2.24, 9.27, 119.07 ppm):
    11 chemical-shift based assignments, quality = 0.566, support = 3.64, residual support = 11.7:
          HB3   ASP-  76 - HN    THR   77   3.94 +/- 0.37  90.366% * 95.2549% (0.57   3.64  11.75) =  99.957%  kept
          QG    GLN   90 - HN    THR   77   6.51 +/- 1.33   7.920% *  0.3155% (0.34   0.02   0.02) =   0.029%
          HG3   MET   92 - HN    THR   77  10.23 +/- 1.23   1.167% *  0.9250% (1.00   0.02   0.02) =   0.013%
          HB2   ASP-  44 - HN    THR   77   9.70 +/- 0.28   0.458% *  0.1831% (0.20   0.02   0.02) =   0.001%
          HB3   PHE   72 - HN    THR   77  13.97 +/- 0.79   0.056% *  0.2572% (0.28   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    THR   77  19.00 +/- 0.59   0.008% *  0.9067% (0.98   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    THR   77  19.09 +/- 0.36   0.008% *  0.7407% (0.80   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    THR   77  19.53 +/- 0.52   0.007% *  0.6354% (0.69   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR   77  20.83 +/- 1.11   0.005% *  0.2059% (0.22   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR   77  20.43 +/- 1.21   0.005% *  0.1252% (0.14   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    THR   77  25.84 +/- 0.56   0.001% *  0.4503% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 826 (1.32, 9.27, 119.07 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 4.01, residual support = 37.7:
          QG2   THR   77 - HN    THR   77   2.03 +/- 0.12  99.934% * 96.0755% (0.61   4.01  37.69) = 100.000%  kept
          HB3   LEU   80 - HN    THR   77   7.41 +/- 0.72   0.053% *  0.3251% (0.41   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    THR   77  10.54 +/- 0.42   0.006% *  0.7480% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    THR   77  10.24 +/- 0.45   0.007% *  0.1760% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   77  16.46 +/- 0.49   0.000% *  0.5115% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   77  15.90 +/- 0.42   0.000% *  0.2440% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   77  17.67 +/- 0.57   0.000% *  0.4477% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   77  23.59 +/- 0.26   0.000% *  0.7091% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   77  26.88 +/- 0.43   0.000% *  0.7631% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 827 (0.38, 9.27, 119.07 ppm):
    4 chemical-shift based assignments, quality = 0.888, support = 0.0198, residual support = 0.234:
          QB    ALA   47 - HN    THR   77   5.17 +/- 0.47  98.698% * 35.5714% (0.90   0.02   0.24) =  99.067%  kept
          QG1   VAL   42 - HN    THR   77  11.75 +/- 0.23   0.798% * 31.7600% (0.80   0.02   0.02) =   0.715%
          QB    ALA   64 - HN    THR   77  13.10 +/- 0.30   0.424% * 14.8861% (0.38   0.02   0.02) =   0.178%
          HG2   LYS+ 112 - HN    THR   77  17.14 +/- 0.37   0.081% * 17.7824% (0.45   0.02   0.02) =   0.040%
    Distance limit 4.55 A violated in 19 structures by 0.66 A, eliminated.
    Peak unassigned.
 
    Peak 828 (3.72, 8.53, 128.95 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.14, residual support = 83.1:
      O   HA    VAL   75 - HN    VAL   75   2.94 +/- 0.00  99.956% * 99.3914% (0.97   5.14  83.06) = 100.000%  kept
          HA    ALA   61 - HN    VAL   75  11.18 +/- 0.27   0.033% *  0.1366% (0.34   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    VAL   75  13.93 +/- 0.31   0.009% *  0.3927% (0.98   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   75  18.24 +/- 0.23   0.002% *  0.0793% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 0.839, support = 0.0195, residual support = 0.0195:
          HB2   ASP-  44 - HN    VAL   75   5.25 +/- 0.53  87.383% * 15.2502% (0.87   0.02   0.02) =  89.117%  kept
          HB3   PHE   72 - HN    VAL   75   8.01 +/- 0.74   9.558% * 13.4358% (0.76   0.02   0.02) =   8.588%  kept
          QG    GLN   90 - HN    VAL   75  10.30 +/- 1.21   2.219% * 12.0764% (0.69   0.02   0.02) =   1.792%
          QG    GLU-  15 - HN    VAL   75  15.03 +/- 1.25   0.198% * 16.6308% (0.95   0.02   0.02) =   0.220%
          QG    GLU-  14 - HN    VAL   75  15.88 +/- 1.08   0.137% * 14.6848% (0.84   0.02   0.02) =   0.134%
          HG2   MET   92 - HN    VAL   75  13.46 +/- 1.04   0.368% *  3.0790% (0.18   0.02   0.02) =   0.076%
          QB    MET   11 - HN    VAL   75  23.30 +/- 3.20   0.034% * 15.7671% (0.90   0.02   0.02) =   0.036%
          HG12  ILE  119 - HN    VAL   75  16.96 +/- 0.63   0.082% *  5.9970% (0.34   0.02   0.02) =   0.033%
          HG3   GLU-  36 - HN    VAL   75  21.59 +/- 0.62   0.021% *  3.0790% (0.18   0.02   0.02) =   0.004%
    Distance limit 4.79 A violated in 15 structures by 0.40 A, eliminated.
    Peak unassigned.
 
    Peak 830 (1.43, 8.53, 128.95 ppm):
    14 chemical-shift based assignments, quality = 0.198, support = 4.39, residual support = 27.4:
          HB3   LYS+  74 - HN    VAL   75   4.25 +/- 0.08  90.035% * 84.3017% (0.20   4.39  27.40) =  99.824%  kept
          HG    LEU   73 - HN    VAL   75   7.35 +/- 0.11   3.366% *  1.4817% (0.76   0.02   0.29) =   0.066%
          HG    LEU   80 - HN    VAL   75   7.97 +/- 1.13   2.847% *  1.6818% (0.87   0.02   0.02) =   0.063%
          HB2   LEU   80 - HN    VAL   75   8.21 +/- 1.12   2.438% *  0.6613% (0.34   0.02   0.02) =   0.021%
          QB    ALA   61 - HN    VAL   75  10.45 +/- 0.27   0.413% *  1.9004% (0.98   0.02   0.02) =   0.010%
          HG12  ILE   19 - HN    VAL   75  10.72 +/- 0.19   0.353% *  1.4817% (0.76   0.02   0.02) =   0.007%
          QB    ALA  110 - HN    VAL   75  11.31 +/- 0.28   0.257% *  1.6194% (0.84   0.02   0.02) =   0.005%
          HB3   LEU   67 - HN    VAL   75  14.48 +/- 0.57   0.059% *  1.9345% (1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    VAL   75  15.94 +/- 0.46   0.033% *  1.7897% (0.92   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    VAL   75  14.18 +/- 1.37   0.077% *  0.5391% (0.28   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    VAL   75  14.36 +/- 0.69   0.063% *  0.5391% (0.28   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    VAL   75  15.46 +/- 0.52   0.040% *  0.3837% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    VAL   75  20.60 +/- 0.95   0.007% *  1.2542% (0.65   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   75  18.94 +/- 0.64   0.012% *  0.4316% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 831 (1.26, 8.53, 128.95 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 5.67, residual support = 27.4:
          HG2   LYS+  74 - HN    VAL   75   3.21 +/- 0.30  99.265% * 95.2137% (0.45   5.67  27.40) =  99.996%  kept
          QG2   ILE   56 - HN    VAL   75   8.47 +/- 0.23   0.348% *  0.6497% (0.87   0.02   0.02) =   0.002%
          HG13  ILE   19 - HN    VAL   75  10.73 +/- 0.13   0.081% *  0.5145% (0.69   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    VAL   75  11.61 +/- 0.29   0.051% *  0.7228% (0.97   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    VAL   75  10.09 +/- 0.29   0.120% *  0.2555% (0.34   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    VAL   75  11.47 +/- 0.28   0.054% *  0.5145% (0.69   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    VAL   75  11.57 +/- 0.69   0.057% *  0.3079% (0.41   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    VAL   75  13.58 +/- 0.40   0.020% *  0.7228% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    VAL   75  18.76 +/- 0.97   0.003% *  0.3646% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    VAL   75  22.44 +/- 0.42   0.001% *  0.7341% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.63 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 = 0.946, support = 4.36, residual support = 83.1:
      O   HB    VAL   75 - HN    VAL   75   2.64 +/- 0.37  95.087% * 98.6459% (0.95   4.36  83.06) =  99.988%  kept
          HG3   LYS+  74 - HN    VAL   75   4.66 +/- 0.27   4.868% *  0.2327% (0.49   0.02  27.40) =   0.012%
          QD1   LEU   67 - HN    VAL   75  11.63 +/- 0.13   0.017% *  0.3471% (0.73   0.02   0.02) =   0.000%
          QD2   LEU   40 - HN    VAL   75  11.79 +/- 0.40   0.015% *  0.3653% (0.76   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    VAL   75  13.29 +/- 0.40   0.008% *  0.2899% (0.61   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    VAL   75  14.57 +/- 0.29   0.005% *  0.1192% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 2 structures by 0.02 A, kept.
 
    Peak 833 (0.76, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.621, support = 0.552, residual support = 1.56:
          QG2   THR   46 - HN    VAL   75   4.07 +/- 0.32  73.916% * 22.7592% (0.69   0.31   1.91) =  78.905%  kept
          QD2   LEU   73 - HN    VAL   75   6.64 +/- 0.50   5.989% * 68.5972% (0.41   1.58   0.29) =  19.269%  kept
          QG1   VAL   43 - HN    VAL   75   5.43 +/- 0.52  16.091% *  2.0388% (0.97   0.02   0.02) =   1.539%
          QG2   VAL   18 - HN    VAL   75   7.00 +/- 0.41   2.996% *  1.6917% (0.80   0.02   0.02) =   0.238%
          QG1   VAL   41 - HN    VAL   75  11.04 +/- 0.24   0.193% *  2.1080% (1.00   0.02   0.02) =   0.019%
          QD1   ILE   19 - HN    VAL   75   9.43 +/- 0.21   0.492% *  0.7206% (0.34   0.02   0.02) =   0.017%
          HG    LEU   31 - HN    VAL   75  11.24 +/- 0.66   0.181% *  1.1961% (0.57   0.02   0.02) =   0.010%
          QD1   ILE   56 - HN    VAL   75  11.88 +/- 0.22   0.121% *  0.4181% (0.20   0.02   0.02) =   0.002%
          QD2   LEU  104 - HN    VAL   75  15.93 +/- 0.42   0.021% *  0.4703% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 834 (0.45, 8.53, 128.95 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.14, residual support = 83.1:
          QG1   VAL   75 - HN    VAL   75   3.60 +/- 0.55  99.913% * 99.6790% (0.92   5.14  83.06) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   75  12.07 +/- 0.32   0.087% *  0.3210% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 835 (0.11, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 4.92, residual support = 83.1:
          QG2   VAL   75 - HN    VAL   75   2.71 +/- 0.11  99.658% * 99.5093% (0.49   4.92  83.06) =  99.999%  kept
          QD1   ILE   89 - HN    VAL   75   7.39 +/- 0.28   0.258% *  0.2072% (0.25   0.02   0.02) =   0.001%
          QG2   VAL   42 - HN    VAL   75   9.42 +/- 0.88   0.084% *  0.2835% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 836 (1.41, 8.48, 121.30 ppm):
    14 chemical-shift based assignments, quality = 0.654, support = 4.42, residual support = 164.5:
      O   HB3   LYS+  74 - HN    LYS+  74   2.80 +/- 0.11  67.318% * 81.0898% (0.71   4.30 176.04) =  91.143%  kept
          HB3   LEU   73 - HN    LYS+  74   3.24 +/- 0.41  32.022% * 16.5619% (0.11   5.68  45.28) =   8.855%  kept
          HG12  ILE   19 - HN    LYS+  74   6.55 +/- 0.17   0.412% *  0.2294% (0.43   0.02   8.34) =   0.002%
          HB2   LEU   80 - HN    LYS+  74   9.74 +/- 0.99   0.047% *  0.3649% (0.68   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+  74   8.95 +/- 1.12   0.083% *  0.1841% (0.34   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+  74   9.24 +/- 0.56   0.056% *  0.0748% (0.14   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  74  12.07 +/- 0.49   0.011% *  0.3280% (0.61   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  74  10.53 +/- 0.36   0.024% *  0.1167% (0.22   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  74  14.32 +/- 0.30   0.004% *  0.1989% (0.37   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  74  12.91 +/- 0.84   0.008% *  0.0943% (0.18   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  74  16.29 +/- 1.96   0.003% *  0.2294% (0.43   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+  74  13.11 +/- 0.51   0.006% *  0.0748% (0.14   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  74  13.77 +/- 1.14   0.005% *  0.0748% (0.14   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+  74  19.75 +/- 0.65   0.001% *  0.3781% (0.71   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 837 (0.80, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.197, support = 6.07, residual support = 45.3:
          QD2   LEU   73 - HN    LYS+  74   3.99 +/- 0.13  99.454% * 97.3939% (0.20   6.07  45.28) =  99.999%  kept
          HG    LEU   31 - HN    LYS+  74   9.99 +/- 0.83   0.488% *  0.2021% (0.12   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LYS+  74  14.36 +/- 0.25   0.047% *  0.6071% (0.37   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  74  20.64 +/- 0.71   0.005% *  1.1437% (0.70   0.02   0.02) =   0.000%
          QD2   LEU  123 - HN    LYS+  74  20.12 +/- 0.48   0.006% *  0.6533% (0.40   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 5 structures by 0.05 A, kept.
 
    Peak 838 (1.70, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.636, support = 5.93, residual support = 45.3:
          HB2   LEU   73 - HN    LYS+  74   3.46 +/- 0.59  99.865% * 98.0352% (0.64   5.93  45.28) = 100.000%  kept
          QG1   ILE   56 - HN    LYS+  74  13.40 +/- 0.27   0.041% *  0.2087% (0.40   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    LYS+  74  15.75 +/- 1.25   0.017% *  0.3654% (0.70   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    LYS+  74  16.05 +/- 0.83   0.016% *  0.3679% (0.71   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+  74  16.48 +/- 0.69   0.014% *  0.2818% (0.54   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+  74  14.56 +/- 0.38   0.025% *  0.1258% (0.24   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LYS+  74  16.32 +/- 0.67   0.014% *  0.1653% (0.32   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+  74  22.89 +/- 0.31   0.002% *  0.2385% (0.46   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+  74  19.23 +/- 0.91   0.005% *  0.0730% (0.14   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LYS+  74  23.55 +/- 0.54   0.001% *  0.1384% (0.27   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 839 (1.82, 8.48, 121.30 ppm):
    9 chemical-shift based assignments, quality = 0.407, support = 0.017, residual support = 0.017:
          HB2   LEU   71 - HN    LYS+  74   8.95 +/- 0.72  63.898% *  5.8297% (0.27   0.02   0.02) =  43.916%  kept
          HB    VAL   41 - HN    LYS+  74  11.03 +/- 0.79  19.127% * 15.4986% (0.71   0.02   0.02) =  34.949%  kept
          QB    LYS+  66 - HN    LYS+  74  14.53 +/- 0.23   3.563% * 14.9905% (0.68   0.02   0.02) =   6.298%  kept
          QB    LYS+  65 - HN    LYS+  74  13.21 +/- 0.32   6.399% *  6.3858% (0.29   0.02   0.02) =   4.818%
          HG2   PRO   93 - HN    LYS+  74  15.04 +/- 0.36   2.948% * 11.8708% (0.54   0.02   0.02) =   4.125%
          HG12  ILE  103 - HN    LYS+  74  15.87 +/- 0.80   2.084% * 14.6936% (0.67   0.02   0.02) =   3.610%
          HB3   PRO   52 - HN    LYS+  74  18.65 +/- 0.29   0.804% * 11.2793% (0.51   0.02   0.02) =   1.069%
          QB    LYS+ 102 - HN    LYS+  74  18.15 +/- 0.51   0.953% *  8.1723% (0.37   0.02   0.02) =   0.918%
          HG    LEU  123 - HN    LYS+  74  23.17 +/- 0.64   0.223% * 11.2793% (0.51   0.02   0.02) =   0.297%
    Distance limit 4.90 A violated in 20 structures by 3.58 A, eliminated.
    Peak unassigned.
 
    Peak 840 (2.28, 8.95, 120.59 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.09, residual support = 27.4:
          HB3   PHE   72 - HN    LEU   73   3.71 +/- 0.57  88.750% * 97.5339% (0.76   5.10  27.39) =  99.944%  kept
          HB2   ASP-  44 - HN    LEU   73   5.63 +/- 0.52  10.790% *  0.4345% (0.87   0.02   2.46) =   0.054%
          QG    GLU-  15 - HN    LEU   73  10.60 +/- 1.43   0.280% *  0.4738% (0.95   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    LEU   73  12.64 +/- 1.07   0.087% *  0.4184% (0.84   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LEU   73  14.53 +/- 0.93   0.037% *  0.3440% (0.69   0.02   0.02) =   0.000%
          QB    MET   11 - HN    LEU   73  19.85 +/- 2.50   0.009% *  0.4492% (0.90   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    LEU   73  15.62 +/- 0.67   0.021% *  0.1708% (0.34   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   73  16.83 +/- 0.88   0.014% *  0.0877% (0.18   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   73  17.53 +/- 0.76   0.012% *  0.0877% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.73 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 = 6.44, residual support = 163.4:
      O   HB2   LEU   73 - HN    LEU   73   3.03 +/- 0.47  99.835% * 98.0941% (0.99   6.44 163.42) = 100.000%  kept
          QD    LYS+  99 - HN    LEU   73  12.21 +/- 0.87   0.031% *  0.2666% (0.87   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    LEU   73  12.94 +/- 1.14   0.029% *  0.2757% (0.90   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    LEU   73  12.08 +/- 0.21   0.037% *  0.0766% (0.25   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU   73  14.46 +/- 0.39   0.013% *  0.2111% (0.69   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU   73  16.15 +/- 0.43   0.006% *  0.3046% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LEU   73  12.04 +/- 0.69   0.033% *  0.0538% (0.18   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU   73  15.98 +/- 0.96   0.007% *  0.1496% (0.49   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LEU   73  19.80 +/- 0.50   0.002% *  0.2232% (0.73   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU   73  20.88 +/- 0.26   0.001% *  0.2908% (0.95   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU   73  15.81 +/- 0.45   0.007% *  0.0538% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 842 (1.40, 8.95, 120.59 ppm):
    15 chemical-shift based assignments, quality = 0.42, support = 6.17, residual support = 145.1:
      O   HB3   LEU   73 - HN    LEU   73   3.34 +/- 0.55  81.712% * 57.0970% (0.41   6.47 163.42) =  88.663%  kept
          HB    VAL   42 - HN    LEU   73   4.86 +/- 0.48  14.924% * 39.9126% (0.49   3.82   1.86) =  11.320%  kept
          HB3   LYS+  74 - HN    LEU   73   6.82 +/- 0.10   1.400% *  0.3722% (0.87   0.02  45.28) =   0.010%
          HG12  ILE   19 - HN    LEU   73   7.09 +/- 0.49   1.292% *  0.1193% (0.28   0.02   5.32) =   0.003%
          QB    LEU   98 - HN    LEU   73   8.81 +/- 0.54   0.349% *  0.4282% (1.00   0.02   0.02) =   0.003%
          HB2   LEU   80 - HN    LEU   73  11.91 +/- 0.95   0.058% *  0.2948% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   73  11.49 +/- 0.37   0.060% *  0.2430% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   73  12.49 +/- 1.12   0.046% *  0.2089% (0.49   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   73  11.44 +/- 1.05   0.081% *  0.0849% (0.20   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   73  16.60 +/- 1.59   0.011% *  0.3961% (0.92   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   73  15.50 +/- 0.67   0.010% *  0.3584% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   73  13.40 +/- 0.83   0.030% *  0.0955% (0.22   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   73  13.73 +/- 0.29   0.021% *  0.0955% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   73  17.63 +/- 0.85   0.005% *  0.1611% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   73  20.60 +/- 0.23   0.002% *  0.1324% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 0.927, support = 7.62, residual support = 150.0:
          QD2   LEU   73 - HN    LEU   73   2.44 +/- 0.21  71.463% * 79.3868% (0.98   7.86 163.42) =  91.258%  kept
          QG1   VAL   43 - HN    LEU   73   3.27 +/- 0.96  27.124% * 20.0335% (0.38   5.18   9.57) =   8.741%  kept
          QG2   VAL   18 - HN    LEU   73   5.35 +/- 0.78   1.222% *  0.0408% (0.20   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    LEU   73   6.98 +/- 0.37   0.148% *  0.1167% (0.57   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LEU   73   9.07 +/- 0.92   0.040% *  0.2057% (1.00   0.02   1.38) =   0.000%
          QD1   ILE   56 - HN    LEU   73  13.20 +/- 0.20   0.003% *  0.1651% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   73  16.40 +/- 0.68   0.001% *  0.0514% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 844 (0.57, 8.95, 120.59 ppm):
    8 chemical-shift based assignments, quality = 0.569, support = 6.03, residual support = 151.2:
          QD1   LEU   73 - HN    LEU   73   4.09 +/- 0.15  63.543% * 84.6905% (0.57   6.44 163.42) =  92.516%  kept
          QG2   VAL   41 - HN    LEU   73   4.70 +/- 0.47  31.047% * 13.9807% (0.61   0.99   0.02) =   7.462%  kept
          QD1   LEU   63 - HN    LEU   73   7.73 +/- 0.59   1.653% *  0.2630% (0.57   0.02   0.02) =   0.007%
          QD2   LEU   98 - HN    LEU   73   7.51 +/- 0.78   1.981% *  0.1910% (0.41   0.02   0.02) =   0.007%
          QD2   LEU   63 - HN    LEU   73   8.92 +/- 0.68   0.693% *  0.4646% (1.00   0.02   0.02) =   0.006%
          QD1   LEU   80 - HN    LEU   73   9.57 +/- 1.58   0.587% *  0.1910% (0.41   0.02   0.02) =   0.002%
          QD2   LEU   80 - HN    LEU   73   9.73 +/- 0.98   0.440% *  0.1034% (0.22   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LEU   73  13.25 +/- 0.56   0.056% *  0.1158% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.51 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 = 0.518, support = 1.52, residual support = 1.47:
          QG1   VAL   42 - HN    LEU   73   4.34 +/- 0.37  85.845% * 32.6983% (0.45   1.43   1.86) =  75.034%  kept
          QB    ALA   64 - HN    LEU   73   6.02 +/- 0.28  14.034% * 66.5464% (0.73   1.80   0.30) =  24.964%  kept
          QB    ALA   47 - HN    LEU   73  13.42 +/- 0.16   0.104% *  0.5769% (0.57   0.02   0.02) =   0.002%
          HG2   LYS+ 112 - HN    LEU   73  18.13 +/- 0.30   0.017% *  0.1785% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 846 (0.07, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 2.23, residual support = 9.55:
          QG2   VAL   43 - HN    LEU   73   3.43 +/- 0.52  95.575% * 92.7687% (0.25   2.24   9.57) =  99.843%  kept
          QD2   LEU   31 - HN    LEU   73   6.19 +/- 0.41   3.829% *  3.3255% (1.00   0.02   1.38) =   0.143%
          QG2   VAL   83 - HN    LEU   73   9.17 +/- 0.49   0.337% *  2.4148% (0.73   0.02   0.02) =   0.009%
          QD1   ILE   89 - HN    LEU   73   9.66 +/- 0.29   0.259% *  1.4909% (0.45   0.02   0.02) =   0.004%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 847 (2.84, 9.36, 127.59 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.33, residual support = 81.4:
      O   HB2   PHE   72 - HN    PHE   72   2.74 +/- 0.64  95.912% * 98.8579% (0.53   4.33  81.46) =  99.965%  kept
          HA    ALA   64 - HN    PHE   72   5.24 +/- 0.27   3.981% *  0.8367% (0.97   0.02  40.06) =   0.035%
          HB3   ASN   69 - HN    PHE   72   9.53 +/- 0.25   0.100% *  0.1338% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    PHE   72  14.83 +/- 0.42   0.007% *  0.1716% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 848 (2.28, 9.36, 127.59 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.18, residual support = 81.5:
      O   HB3   PHE   72 - HN    PHE   72   2.86 +/- 0.66  97.796% * 97.5724% (0.76   5.18  81.46) =  99.989%  kept
          QG    GLU-  15 - HN    PHE   72   6.94 +/- 1.38   1.750% *  0.4664% (0.95   0.02   0.02) =   0.009%
          HB2   ASP-  44 - HN    PHE   72   8.34 +/- 0.48   0.291% *  0.4277% (0.87   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    PHE   72   9.75 +/- 1.16   0.141% *  0.4118% (0.84   0.02   0.02) =   0.001%
          QB    MET   11 - HN    PHE   72  16.65 +/- 2.01   0.005% *  0.4422% (0.90   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    PHE   72  16.08 +/- 0.73   0.006% *  0.1682% (0.34   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   72  18.46 +/- 0.94   0.002% *  0.3387% (0.69   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    PHE   72  15.88 +/- 1.19   0.007% *  0.0863% (0.18   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    PHE   72  20.90 +/- 0.77   0.001% *  0.0863% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.54 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 = 0.99, support = 3.51, residual support = 19.3:
          HG    LEU   71 - HN    PHE   72   3.79 +/- 0.31  83.168% * 96.8911% (0.99   3.51  19.33) =  99.898%  kept
          HG13  ILE   19 - HN    PHE   72   5.35 +/- 0.51  12.525% *  0.5263% (0.95   0.02   0.02) =   0.082%
          QG2   THR   39 - HN    PHE   72   6.47 +/- 0.34   3.754% *  0.3599% (0.65   0.02   0.02) =   0.017%
          HG2   LYS+  74 - HN    PHE   72   9.47 +/- 0.60   0.379% *  0.5552% (1.00   0.02   0.02) =   0.003%
          HG3   LYS+  99 - HN    PHE   72  13.29 +/- 1.24   0.059% *  0.5564% (1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    PHE   72  12.16 +/- 0.20   0.082% *  0.1239% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    PHE   72  16.09 +/- 0.59   0.016% *  0.2088% (0.38   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    PHE   72  17.12 +/- 0.24   0.011% *  0.2287% (0.41   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    PHE   72  18.83 +/- 0.51   0.006% *  0.3599% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    PHE   72  22.20 +/- 0.26   0.002% *  0.1898% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 1 structures by 0.01 A, kept.
 
    Peak 850 (0.96, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.28, residual support = 19.3:
          QD2   LEU   71 - HN    PHE   72   2.95 +/- 0.36  98.565% * 98.6509% (0.97   5.28  19.33) =  99.998%  kept
          QD1   LEU   67 - HN    PHE   72   6.56 +/- 0.17   0.951% *  0.1194% (0.31   0.02  35.19) =   0.001%
          QD2   LEU   40 - HN    PHE   72   7.99 +/- 0.54   0.355% *  0.1076% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    PHE   72   9.89 +/- 0.73   0.095% *  0.2036% (0.53   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    PHE   72  13.71 +/- 0.52   0.012% *  0.3861% (1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    PHE   72  13.96 +/- 0.38   0.010% *  0.3734% (0.97   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    PHE   72  13.70 +/- 0.43   0.012% *  0.1591% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 852 (2.20, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 6.12, residual support = 31.5:
          HB    VAL   70 - HN    LEU   71   4.03 +/- 0.08  98.540% * 98.9072% (0.98   6.12  31.50) =  99.997%  kept
          QG    GLN   17 - HN    LEU   71   9.51 +/- 0.79   0.668% *  0.3292% (1.00   0.02   0.02) =   0.002%
          HB2   MET   96 - HN    LEU   71  11.33 +/- 0.47   0.209% *  0.2135% (0.65   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LEU   71  10.53 +/- 0.36   0.321% *  0.0917% (0.28   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    LEU   71  11.28 +/- 0.78   0.239% *  0.0735% (0.22   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LEU   71  18.23 +/- 0.47   0.012% *  0.3271% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LEU   71  18.96 +/- 0.75   0.010% *  0.0578% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 853 (1.81, 8.15, 128.27 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 5.68, residual support = 126.7:
      O   HB2   LEU   71 - HN    LEU   71   2.75 +/- 0.22  98.931% * 98.2998% (0.98   5.68 126.69) =  99.998%  kept
          HB    VAL   41 - HN    LEU   71   6.78 +/- 0.88   0.962% *  0.1583% (0.45   0.02   0.02) =   0.002%
          QB    LYS+  66 - HN    LEU   71  10.46 +/- 0.20   0.035% *  0.2284% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU   71  11.45 +/- 0.18   0.020% *  0.3499% (0.99   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LEU   71  10.58 +/- 0.57   0.034% *  0.1857% (0.53   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   71  13.22 +/- 0.65   0.009% *  0.3523% (1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   71  13.72 +/- 0.74   0.008% *  0.1090% (0.31   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   71  19.85 +/- 0.43   0.001% *  0.3166% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 855 (1.24, 8.15, 128.27 ppm):
    10 chemical-shift based assignments, quality = 0.676, support = 0.0199, residual support = 12.4:
          QG2   THR   39 - HN    LEU   71   2.86 +/- 0.31  92.900% *  9.8331% (0.65   0.02   0.02) =  89.558%  kept
          HG    LEU   71 - HN    LEU   71   4.55 +/- 0.11   6.612% * 15.0657% (0.99   0.02 126.69) =   9.767%  kept
          HG13  ILE   19 - HN    LEU   71   8.00 +/- 0.87   0.304% * 14.3788% (0.95   0.02   0.02) =   0.428%
          HG3   LYS+  99 - HN    LEU   71   9.34 +/- 1.30   0.145% * 15.2002% (1.00   0.02   0.02) =   0.215%
          HG2   LYS+  74 - HN    LEU   71  13.24 +/- 0.51   0.011% * 15.1664% (1.00   0.02   0.02) =   0.016%
          HG3   LYS+  38 - HN    LEU   71  11.88 +/- 0.58   0.020% *  5.7048% (0.38   0.02   0.02) =   0.011%
          QG2   ILE   56 - HN    LEU   71  14.52 +/- 0.21   0.006% *  3.3841% (0.22   0.02   0.02) =   0.002%
          HG12  ILE   89 - HN    LEU   71  18.22 +/- 0.22   0.002% *  6.2490% (0.41   0.02   0.02) =   0.001%
          QB    ALA   91 - HN    LEU   71  20.55 +/- 0.56   0.001% *  9.8331% (0.65   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    LEU   71  23.65 +/- 0.31   0.000% *  5.1849% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 856 (0.86, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.915, support = 5.34, residual support = 74.4:
          QG1   VAL   70 - HN    LEU   71   4.19 +/- 0.06  50.655% * 53.1731% (0.98   5.30  31.50) =  54.964%  kept
          QD1   LEU   71 - HN    LEU   71   4.23 +/- 0.05  47.795% * 46.1699% (0.84   5.40 126.69) =  45.030%  kept
          QG1   VAL   18 - HN    LEU   71   7.99 +/- 0.41   1.099% *  0.2049% (1.00   0.02   0.02) =   0.005%
          HB3   LEU   63 - HN    LEU   71  10.05 +/- 0.97   0.307% *  0.1407% (0.69   0.02   0.02) =   0.001%
          HB3   LEU  104 - HN    LEU   71  11.88 +/- 0.44   0.100% *  0.0997% (0.49   0.02   0.02) =   0.000%
          QD1   LEU  123 - HN    LEU   71  13.92 +/- 0.54   0.038% *  0.1711% (0.84   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    LEU   71  18.61 +/- 0.42   0.007% *  0.0405% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 6.14, residual support = 31.5:
          QG2   VAL   70 - HN    LEU   71   2.42 +/- 0.10 100.000% *100.0000% (0.73   6.14  31.50) = 100.000%  kept
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 858 (2.19, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 4.63, residual support = 83.6:
      O   HB    VAL   70 - HN    VAL   70   2.59 +/- 0.18  99.925% * 98.4205% (0.76   4.63  83.61) = 100.000%  kept
          QG    GLN   17 - HN    VAL   70   9.13 +/- 0.38   0.060% *  0.4644% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    VAL   70  12.43 +/- 0.50   0.010% *  0.3148% (0.57   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    VAL   70  13.94 +/- 0.42   0.005% *  0.1897% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   70  22.39 +/- 0.57   0.000% *  0.5133% (0.92   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   70  19.75 +/- 1.44   0.001% *  0.0974% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 859 (1.44, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.863, support = 0.665, residual support = 0.106:
          HB3   LEU   67 - HN    VAL   70   3.18 +/- 0.75  78.796% * 81.0604% (0.87   0.67   0.11) =  99.539%  kept
          HG    LEU   67 - HN    VAL   70   4.73 +/- 0.89  20.050% *  1.3623% (0.49   0.02   0.11) =   0.426%
          HG    LEU   40 - HN    VAL   70   6.95 +/- 0.62   0.720% *  1.6975% (0.61   0.02  32.89) =   0.019%
          QG    LYS+  66 - HN    VAL   70   8.65 +/- 0.57   0.237% *  2.7433% (0.98   0.02   0.02) =   0.010%
          HG    LEU   73 - HN    VAL   70  10.97 +/- 0.67   0.058% *  2.7739% (0.99   0.02   0.02) =   0.002%
          HG12  ILE   19 - HN    VAL   70  10.40 +/- 0.80   0.087% *  1.1506% (0.41   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    VAL   70  11.20 +/- 0.18   0.041% *  2.0323% (0.73   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    VAL   70  17.59 +/- 1.11   0.003% *  2.6475% (0.95   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    VAL   70  16.57 +/- 0.71   0.004% *  1.6975% (0.61   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    VAL   70  18.08 +/- 0.31   0.002% *  1.3623% (0.49   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    VAL   70  20.85 +/- 0.96   0.001% *  1.4725% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 1 structures by 0.01 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 860 (0.86, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 5.18, residual support = 83.6:
          QG1   VAL   70 - HN    VAL   70   2.03 +/- 0.21  99.892% * 98.3485% (0.92   5.18  83.61) = 100.000%  kept
          QD1   LEU   71 - HN    VAL   70   7.23 +/- 0.18   0.063% *  0.4117% (1.00   0.02  31.50) =   0.000%
          QG1   VAL   18 - HN    VAL   70   9.21 +/- 0.40   0.016% *  0.3439% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    VAL   70   8.49 +/- 0.77   0.023% *  0.1404% (0.34   0.02   0.02) =   0.000%
          QD1   LEU  123 - HN    VAL   70  11.14 +/- 0.56   0.005% *  0.4117% (1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    VAL   70  12.37 +/- 0.44   0.002% *  0.3439% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 861 (0.18, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.21, residual support = 83.6:
          QG2   VAL   70 - HN    VAL   70   3.75 +/- 0.06 100.000% *100.0000% (0.98   4.21  83.61) = 100.000%  kept
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 862 (2.90, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.55, support = 2.99, residual support = 61.5:
      O   HB2   ASN   69 - HD22  ASN   69   3.54 +/- 0.02  99.539% * 98.4374% (0.55   2.99  61.48) =  99.999%  kept
          QE    LYS+  66 - HD22  ASN   69   9.59 +/- 1.55   0.406% *  0.1496% (0.12   0.02   0.02) =   0.001%
          QE    LYS+  33 - HD22  ASN   69  13.98 +/- 2.26   0.052% *  0.1496% (0.12   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD22  ASN   69  24.44 +/- 0.87   0.001% *  0.6719% (0.56   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   69  28.29 +/- 0.79   0.000% *  0.4879% (0.41   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD22  ASN   69  22.93 +/- 1.61   0.002% *  0.1037% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 863 (0.86, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.56, support = 3.29, residual support = 28.0:
          QG1   VAL   70 - HD22  ASN   69   3.02 +/- 0.85  99.381% * 97.6063% (0.56   3.29  28.01) =  99.997%  kept
          QD1   LEU  123 - HD22  ASN   69  10.13 +/- 1.30   0.224% *  0.5619% (0.53   0.02   0.02) =   0.001%
          QD1   LEU   71 - HD22  ASN   69   9.80 +/- 0.94   0.134% *  0.5619% (0.53   0.02   0.02) =   0.001%
          HB3   LEU   63 - HD22  ASN   69   9.92 +/- 0.74   0.178% *  0.3125% (0.30   0.02   0.02) =   0.001%
          QG1   VAL   18 - HD22  ASN   69  12.03 +/- 0.51   0.049% *  0.5732% (0.54   0.02   0.02) =   0.000%
          HB3   LEU  104 - HD22  ASN   69  12.08 +/- 1.46   0.034% *  0.3842% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 864 (4.99, 8.82, 114.58 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 3.01, residual support = 3.01:
          HA    LEU   67 - HN    ASN   69   3.08 +/- 0.10 100.000% *100.0000% (0.92   3.01   3.01) = 100.000%  kept
    Distance limit 4.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 865 (3.74, 8.82, 114.58 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.95, residual support = 28.2:
          HD2   PRO   68 - HN    ASN   69   2.55 +/- 0.33  99.983% * 99.1803% (0.80   5.95  28.17) = 100.000%  kept
          HA    ALA   61 - HN    ASN   69  11.77 +/- 0.23   0.015% *  0.3940% (0.95   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASN   69  18.53 +/- 0.24   0.001% *  0.2694% (0.65   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ASN   69  19.22 +/- 0.19   0.001% *  0.1563% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.77 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 = 5.95, residual support = 28.2:
          HD3   PRO   68 - HN    ASN   69   3.67 +/- 0.28  99.978% * 98.4584% (0.99   5.95  28.17) = 100.000%  kept
          HB2   PHE   59 - HN    ASN   69  16.39 +/- 0.28   0.014% *  0.2553% (0.76   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    ASN   69  20.83 +/- 0.27   0.003% *  0.3224% (0.97   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    ASN   69  21.80 +/- 0.26   0.002% *  0.3224% (0.97   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASN   69  23.70 +/- 0.34   0.001% *  0.3333% (1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASN   69  25.10 +/- 1.04   0.001% *  0.3083% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.95 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 = 0.476, support = 0.0199, residual support = 0.0199:
          HA    ALA   64 - HN    ASN   69   6.68 +/- 0.37  86.196% * 14.1837% (0.31   0.02   0.02) =  68.893%  kept
          QE    LYS+  66 - HN    ASN   69   9.56 +/- 1.04  13.518% * 39.8620% (0.87   0.02   0.02) =  30.365%  kept
          HB3   ASN   35 - HN    ASN   69  17.39 +/- 0.38   0.287% * 45.9543% (1.00   0.02   0.02) =   0.742%
    Distance limit 4.10 A violated in 20 structures by 2.39 A, eliminated.
    Peak unassigned.
 
    Peak 868 (2.17, 8.82, 114.58 ppm):
    9 chemical-shift based assignments, quality = 0.154, support = 3.84, residual support = 28.0:
          HB    VAL   70 - HN    ASN   69   4.50 +/- 0.14  98.472% * 89.1802% (0.15   3.84  28.01) =  99.985%  kept
          QG    GLN   17 - HN    ASN   69   9.32 +/- 0.43   1.286% *  0.5955% (0.20   0.02   0.02) =   0.009%
          HB2   LYS+  38 - HN    ASN   69  13.48 +/- 0.64   0.147% *  2.9823% (0.99   0.02   0.02) =   0.005%
          QB    GLU-  36 - HN    ASN   69  15.50 +/- 0.70   0.062% *  0.5270% (0.18   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ASN   69  21.50 +/- 1.30   0.010% *  2.4093% (0.80   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ASN   69  19.70 +/- 0.42   0.014% *  1.2370% (0.41   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ASN   69  24.17 +/- 0.51   0.004% *  0.8366% (0.28   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   69  28.53 +/- 0.42   0.002% *  1.8250% (0.61   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ASN   69  24.36 +/- 0.32   0.004% *  0.4072% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 869 (2.03, 8.82, 114.58 ppm):
    14 chemical-shift based assignments, quality = 0.891, support = 6.03, residual support = 28.2:
      O   HB3   PRO   68 - HN    ASN   69   4.49 +/- 0.10  47.729% * 86.3495% (0.99   6.04  28.17) =  88.252%  kept
          HG2   PRO   68 - HN    ASN   69   4.52 +/- 0.20  46.431% * 11.7905% (0.14   6.04  28.17) =  11.723%  kept
          QB    GLU-  15 - HN    ASN   69   6.84 +/- 1.09   5.340% *  0.2096% (0.73   0.02   0.02) =   0.024%
          HB2   GLN   17 - HN    ASN   69  11.03 +/- 0.40   0.230% *  0.2096% (0.73   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    ASN   69  15.38 +/- 0.71   0.032% *  0.2504% (0.87   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASN   69  11.97 +/- 0.37   0.138% *  0.0506% (0.18   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASN   69  14.81 +/- 0.99   0.041% *  0.1634% (0.57   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ASN   69  16.13 +/- 0.41   0.023% *  0.1634% (0.57   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASN   69  16.83 +/- 0.58   0.018% *  0.1868% (0.65   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASN   69  23.30 +/- 0.43   0.002% *  0.2312% (0.80   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASN   69  18.88 +/- 0.37   0.009% *  0.0643% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASN   69  24.53 +/- 0.70   0.002% *  0.1519% (0.53   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASN   69  23.77 +/- 0.29   0.002% *  0.0985% (0.34   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASN   69  24.58 +/- 0.25   0.002% *  0.0803% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 5.49, residual support = 28.2:
          HG3   PRO   68 - HN    ASN   69   3.50 +/- 0.29  99.829% * 92.7607% (0.38   5.49  28.17) =  99.999%  kept
          HB3   LYS+  38 - HN    ASN   69  12.93 +/- 0.65   0.050% *  0.8513% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASN   69  13.03 +/- 0.70   0.048% *  0.5458% (0.61   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASN   69  15.13 +/- 0.65   0.018% *  0.7206% (0.80   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ASN   69  14.09 +/- 0.28   0.027% *  0.4380% (0.49   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASN   69  16.56 +/- 0.55   0.011% *  0.7206% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASN   69  17.31 +/- 0.27   0.008% *  0.4035% (0.45   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASN   69  20.41 +/- 0.27   0.003% *  0.8979% (1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASN   69  19.37 +/- 0.31   0.004% *  0.3700% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASN   69  26.12 +/- 0.35   0.001% *  0.6878% (0.76   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASN   69  24.21 +/- 0.45   0.001% *  0.4035% (0.45   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASN   69  25.86 +/- 0.39   0.001% *  0.5822% (0.65   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASN   69  28.15 +/- 0.49   0.000% *  0.6182% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 871 (0.87, 8.82, 114.58 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 4.47, residual support = 28.0:
          QG1   VAL   70 - HN    ASN   69   3.15 +/- 0.19  99.390% * 97.9112% (0.73   4.47  28.01) =  99.998%  kept
          HB3   LEU   63 - HN    ASN   69   9.40 +/- 0.61   0.160% *  0.5829% (0.97   0.02   0.02) =   0.001%
          QD1   LEU   71 - HN    ASN   69   8.44 +/- 0.23   0.283% *  0.2940% (0.49   0.02   0.02) =   0.001%
          QG1   VAL   18 - HN    ASN   69  10.38 +/- 0.39   0.084% *  0.5045% (0.84   0.02   0.02) =   0.000%
          QD1   LEU  123 - HN    ASN   69  10.83 +/- 0.71   0.067% *  0.2940% (0.49   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    ASN   69  13.69 +/- 0.57   0.015% *  0.1195% (0.20   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    ASN   69  20.88 +/- 0.28   0.001% *  0.2940% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.74 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 = 0.998, support = 3.99, residual support = 17.0:
          HD2   PRO   68 - HN    LEU   67   4.21 +/- 0.27  83.174% * 99.0341% (1.00   3.99  17.03) =  99.978%  kept
          HA    ALA   61 - HN    LEU   67   7.33 +/- 0.10   3.115% *  0.4797% (0.97   0.02   0.02) =   0.018%
          HA    VAL   24 - HE3   TRP   27   5.76 +/- 0.23  13.573% *  0.0213% (0.04   0.02  24.59) =   0.004%
          HD3   PRO   58 - HN    LEU   67  13.57 +/- 0.14   0.078% *  0.1534% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HE3   TRP   27  15.47 +/- 0.42   0.036% *  0.0603% (0.12   0.02   0.02) =   0.000%
          HD2   PRO   68 - HE3   TRP   27  18.45 +/- 0.40   0.012% *  0.0623% (0.13   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LEU   67  22.08 +/- 0.25   0.004% *  0.1695% (0.34   0.02   0.02) =   0.000%
          HD3   PRO   58 - HE3   TRP   27  19.91 +/- 0.43   0.008% *  0.0193% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.85 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 = 3.99, residual support = 17.0:
          HD3   PRO   68 - HN    LEU   67   3.17 +/- 0.31  99.916% * 97.1965% (0.76   3.99  17.03) = 100.000%  kept
          HB2   PHE   59 - HN    LEU   67  11.56 +/- 0.21   0.052% *  0.2618% (0.41   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   67  16.49 +/- 0.18   0.006% *  0.4375% (0.69   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   67  17.64 +/- 0.22   0.004% *  0.6025% (0.95   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   67  20.33 +/- 1.02   0.002% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   67  19.65 +/- 0.37   0.002% *  0.5100% (0.80   0.02   0.02) =   0.000%
          HB3   CYS   53 - HE3   TRP   27  16.53 +/- 0.64   0.006% *  0.0757% (0.12   0.02   0.02) =   0.000%
          HD3   PRO   93 - HE3   TRP   27  17.64 +/- 0.52   0.004% *  0.0641% (0.10   0.02   0.02) =   0.000%
          HD3   PRO   68 - HE3   TRP   27  18.51 +/- 0.37   0.003% *  0.0612% (0.10   0.02   0.02) =   0.000%
          QB    PHE   55 - HE3   TRP   27  20.00 +/- 0.46   0.002% *  0.0550% (0.09   0.02   0.02) =   0.000%
          HB2   PHE   59 - HE3   TRP   27  19.15 +/- 0.86   0.002% *  0.0329% (0.05   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HE3   TRP   27  23.64 +/- 0.97   0.001% *  0.0785% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 874 (2.85, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.637, support = 1.27, residual support = 4.4:
          HA    ALA   64 - HN    LEU   67   3.31 +/- 0.12  97.742% * 20.1103% (0.65   0.97   3.86) =  91.890%  kept
          QE    LYS+  66 - HN    LEU   67   6.38 +/- 0.43   2.190% * 79.1902% (0.53   4.68  10.47) =   8.109%  kept
          HB3   ASN   35 - HE3   TRP   27  12.26 +/- 0.76   0.042% *  0.0675% (0.10   0.02   0.02) =   0.000%
          HA    ALA   64 - HE3   TRP   27  13.50 +/- 0.32   0.022% *  0.0523% (0.08   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    LEU   67  20.27 +/- 0.35   0.002% *  0.5371% (0.84   0.02   0.02) =   0.000%
          QE    LYS+  66 - HE3   TRP   27  20.16 +/- 0.62   0.002% *  0.0425% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 0.606, support = 5.09, residual support = 61.0:
      O   HB2   LEU   67 - HN    LEU   67   2.86 +/- 0.41  94.645% * 96.9133% (0.61   5.10  60.98) =  99.980%  kept
          HG2   PRO   68 - HN    LEU   67   5.06 +/- 0.17   4.391% *  0.4057% (0.65   0.02  17.03) =   0.019%
          HB    VAL   18 - HN    LEU   67   8.80 +/- 0.84   0.157% *  0.2139% (0.34   0.02   0.02) =   0.000%
          HB    ILE   19 - HE3   TRP   27   6.89 +/- 0.28   0.651% *  0.0446% (0.07   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU   67  12.07 +/- 0.31   0.022% *  0.3551% (0.57   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    LEU   67  14.60 +/- 0.19   0.007% *  0.6053% (0.97   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LEU   67  14.90 +/- 0.47   0.006% *  0.5933% (0.95   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    LEU   67  15.85 +/- 0.32   0.004% *  0.3053% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE3   TRP   27   9.95 +/- 0.21   0.070% *  0.0156% (0.02   0.02   0.02) =   0.000%
          HB    VAL   18 - HE3   TRP   27  11.17 +/- 0.62   0.033% *  0.0269% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   67 - HE3   TRP   27  14.47 +/- 0.40   0.008% *  0.0478% (0.08   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   67  20.04 +/- 0.17   0.001% *  0.0968% (0.15   0.02   0.02) =   0.000%
          HB2   LEU  115 - HE3   TRP   27  19.76 +/- 0.65   0.001% *  0.0746% (0.12   0.02   0.02) =   0.000%
          QB    GLU- 114 - HE3   TRP   27  18.31 +/- 0.31   0.002% *  0.0384% (0.06   0.02   0.02) =   0.000%
          HG2   PRO   68 - HE3   TRP   27  19.75 +/- 0.39   0.001% *  0.0510% (0.08   0.02   0.02) =   0.000%
          HG3   PRO   58 - HE3   TRP   27  22.41 +/- 0.46   0.001% *  0.0761% (0.12   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   67  25.19 +/- 0.51   0.000% *  0.1241% (0.20   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HE3   TRP   27  22.40 +/- 0.64   0.001% *  0.0122% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 876 (1.82, 7.34, 119.88 ppm):
    20 chemical-shift based assignments, quality = 0.945, support = 4.43, residual support = 10.5:
          QB    LYS+  66 - HN    LEU   67   3.29 +/- 0.10  85.630% * 96.9432% (0.95   4.43  10.47) =  99.943%  kept
          QB    LYS+  65 - HN    LEU   67   4.51 +/- 0.09  13.225% *  0.3532% (0.76   0.02   0.02) =   0.056%
          HB2   LEU   71 - HN    LEU   67  10.52 +/- 0.29   0.081% *  0.3356% (0.73   0.02   0.02) =   0.000%
          HB    VAL   41 - HE3   TRP   27   8.25 +/- 0.90   0.483% *  0.0465% (0.10   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LEU   67   9.88 +/- 0.50   0.129% *  0.1029% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   71 - HE3   TRP   27   8.80 +/- 1.02   0.304% *  0.0422% (0.09   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU   67  11.85 +/- 1.00   0.047% *  0.1735% (0.38   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU   67  13.37 +/- 0.41   0.019% *  0.3701% (0.80   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   67  17.35 +/- 0.50   0.004% *  0.4581% (0.99   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   67  17.70 +/- 0.50   0.004% *  0.4009% (0.87   0.02   0.02) =   0.000%
          HG12  ILE  103 - HE3   TRP   27  12.48 +/- 0.94   0.033% *  0.0376% (0.08   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   67  18.19 +/- 0.71   0.003% *  0.2990% (0.65   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HE3   TRP   27  14.99 +/- 0.73   0.010% *  0.0504% (0.11   0.02   0.02) =   0.000%
          QB    LYS+  66 - HE3   TRP   27  17.02 +/- 0.26   0.004% *  0.0550% (0.12   0.02   0.02) =   0.000%
          HG2   PRO   93 - HE3   TRP   27  17.35 +/- 0.55   0.004% *  0.0576% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  65 - HE3   TRP   27  16.88 +/- 0.40   0.005% *  0.0444% (0.10   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   67  21.56 +/- 0.36   0.001% *  0.1735% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   17 - HE3   TRP   27  14.61 +/- 0.72   0.012% *  0.0129% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   52 - HE3   TRP   27  21.33 +/- 0.51   0.001% *  0.0218% (0.05   0.02   0.02) =   0.000%
          HG    LEU  123 - HE3   TRP   27  25.25 +/- 0.61   0.000% *  0.0218% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 0.836, support = 5.47, residual support = 58.4:
          HG    LEU   67 - HN    LEU   67   3.78 +/- 0.90  36.713% * 63.0965% (1.00   5.70  60.98) =  77.240%  kept
      O   HB3   LEU   67 - HN    LEU   67   3.40 +/- 0.55  41.467% * 12.7683% (0.25   4.61  60.98) =  17.654%  kept
          QG    LYS+  66 - HN    LEU   67   4.44 +/- 0.23   6.713% * 22.7661% (0.41   4.99  10.47) =   5.096%  kept
          HG    LEU   73 - HE3   TRP   27   3.98 +/- 0.41  14.604% *  0.0169% (0.08   0.02  12.74) =   0.008%
          HG    LEU   40 - HN    LEU   67   9.62 +/- 0.79   0.070% *  0.2201% (0.99   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    LEU   67   7.62 +/- 0.09   0.263% *  0.0343% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU   67   9.56 +/- 0.73   0.080% *  0.0996% (0.45   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   67  11.99 +/- 0.42   0.018% *  0.1525% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   67  13.46 +/- 0.85   0.009% *  0.2201% (0.99   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   67  12.97 +/- 0.53   0.012% *  0.1347% (0.61   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   67  13.78 +/- 1.04   0.009% *  0.1525% (0.69   0.02   0.02) =   0.000%
          HG    LEU   40 - HE3   TRP   27  12.52 +/- 1.01   0.014% *  0.0277% (0.12   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   67  20.49 +/- 1.31   0.001% *  0.1613% (0.73   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE3   TRP   27  13.48 +/- 1.02   0.009% *  0.0125% (0.06   0.02   0.02) =   0.000%
          HG    LEU   67 - HE3   TRP   27  16.12 +/- 0.55   0.003% *  0.0279% (0.13   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE3   TRP   27  17.16 +/- 1.03   0.002% *  0.0203% (0.09   0.02   0.02) =   0.000%
          HB3   LEU   67 - HE3   TRP   27  14.84 +/- 0.50   0.005% *  0.0070% (0.03   0.02   0.02) =   0.000%
          HB3   LEU  115 - HE3   TRP   27  18.67 +/- 0.73   0.001% *  0.0277% (0.12   0.02   0.02) =   0.000%
          QB    ALA   61 - HE3   TRP   27  14.57 +/- 0.40   0.006% *  0.0043% (0.02   0.02   0.02) =   0.000%
          QG    LYS+  66 - HE3   TRP   27  18.27 +/- 0.50   0.001% *  0.0115% (0.05   0.02   0.02) =   0.000%
          HG    LEU  115 - HE3   TRP   27  20.45 +/- 1.16   0.001% *  0.0192% (0.09   0.02   0.02) =   0.000%
          QB    ALA  120 - HE3   TRP   27  21.19 +/- 0.36   0.001% *  0.0192% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 878 (0.96, 7.34, 119.88 ppm):
    14 chemical-shift based assignments, quality = 0.309, support = 4.24, residual support = 61.0:
          QD1   LEU   67 - HN    LEU   67   4.06 +/- 0.12  93.585% * 93.3029% (0.31   4.25  60.98) =  99.955%  kept
          QD2   LEU   71 - HN    LEU   67   8.32 +/- 0.34   1.325% *  1.3743% (0.97   0.02   0.02) =   0.021%
          QG2   ILE  119 - HN    LEU   67   8.87 +/- 0.45   0.915% *  1.3743% (0.97   0.02   0.02) =   0.014%
          QD2   LEU   40 - HN    LEU   67   8.96 +/- 0.24   0.842% *  0.3959% (0.28   0.02   0.02) =   0.004%
          QD2   LEU   71 - HE3   TRP   27   8.45 +/- 1.04   1.743% *  0.1728% (0.12   0.02   0.02) =   0.003%
          HG3   LYS+  74 - HE3   TRP   27   9.84 +/- 0.70   0.532% *  0.0942% (0.07   0.02   0.02) =   0.001%
          QD1   ILE  103 - HE3   TRP   27  10.92 +/- 0.67   0.279% *  0.1786% (0.13   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    LEU   67  14.37 +/- 0.92   0.053% *  0.7492% (0.53   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    LEU   67  15.90 +/- 0.57   0.027% *  1.4209% (1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    LEU   67  14.75 +/- 0.35   0.042% *  0.5854% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   40 - HE3   TRP   27  10.37 +/- 0.83   0.402% *  0.0498% (0.03   0.02   0.02) =   0.000%
          QG2   ILE  103 - HE3   TRP   27  12.55 +/- 0.67   0.119% *  0.0736% (0.05   0.02   0.02) =   0.000%
          QD1   LEU   67 - HE3   TRP   27  12.26 +/- 0.31   0.128% *  0.0553% (0.04   0.02   0.02) =   0.000%
          QG2   ILE  119 - HE3   TRP   27  19.03 +/- 0.40   0.009% *  0.1728% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 879 (3.95, 7.27, 117.25 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 6.07, residual support = 26.3:
      O   HA    LYS+  65 - HN    LYS+  66   3.55 +/- 0.02  99.469% * 96.5502% (0.61   6.07  26.31) =  99.998%  kept
          HA2   GLY   16 - HN    LYS+  66   9.29 +/- 0.62   0.345% *  0.3605% (0.69   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    LYS+  66  11.37 +/- 0.55   0.098% *  0.5064% (0.97   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    LYS+  66  12.43 +/- 0.54   0.057% *  0.4706% (0.90   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  66  14.59 +/- 0.36   0.021% *  0.2971% (0.57   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  66  17.75 +/- 0.28   0.006% *  0.4964% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  66  21.07 +/- 0.18   0.002% *  0.4383% (0.84   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  66  22.20 +/- 0.39   0.002% *  0.5201% (0.99   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  66  24.93 +/- 0.23   0.001% *  0.3605% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 880 (3.50, 7.27, 117.25 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 1.6, residual support = 6.05:
          HA    LEU   63 - HN    LYS+  66   3.19 +/- 0.14  99.998% * 98.5909% (0.99   1.60   6.05) = 100.000%  kept
          HB2   HIS   22 - HN    LYS+  66  22.74 +/- 0.23   0.001% *  0.8526% (0.69   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    LYS+  66  22.23 +/- 0.55   0.001% *  0.5565% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 881 (2.85, 7.27, 117.25 ppm):
    4 chemical-shift based assignments, quality = 0.866, support = 3.94, residual support = 18.3:
          HA    ALA   64 - HN    LYS+  66   4.26 +/- 0.14  71.752% * 75.0839% (0.95   3.78   6.73) =  88.991%  kept
          QE    LYS+  66 - HN    LYS+  66   5.04 +/- 0.26  27.067% * 24.6182% (0.22   5.27 111.66) =  11.007%  kept
          HB2   PHE   72 - HN    LYS+  66   8.50 +/- 0.38   1.177% *  0.0935% (0.22   0.02   0.02) =   0.002%
          HB3   ASN   35 - HN    LYS+  66  22.40 +/- 0.33   0.003% *  0.2044% (0.49   0.02   0.02) =   0.000%
    Distance limit 5.12 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 = 0.734, support = 5.26, residual support = 90.1:
      O   QB    LYS+  66 - HN    LYS+  66   2.23 +/- 0.09  84.311% * 35.1241% (0.65   5.02 111.66) =  74.701%  kept
          QB    LYS+  65 - HN    LYS+  66   2.96 +/- 0.08  15.677% * 63.9759% (0.99   5.96  26.31) =  25.299%  kept
          HB3   GLN   17 - HN    LYS+  66  10.61 +/- 0.58   0.008% *  0.1139% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  66  12.52 +/- 0.28   0.003% *  0.2122% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  66  16.33 +/- 0.49   0.001% *  0.1941% (0.90   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  66  15.07 +/- 0.33   0.001% *  0.0970% (0.45   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  66  19.09 +/- 0.47   0.000% *  0.2160% (1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  66  19.36 +/- 0.68   0.000% *  0.0668% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 0.416, support = 4.07, residual support = 74.5:
          QG    LYS+  66 - HN    LYS+  66   2.95 +/- 0.51  87.173% * 19.4693% (0.15   4.55 111.66) =  63.312%  kept
          HG    LEU   67 - HN    LYS+  66   5.26 +/- 1.25  12.657% * 77.6979% (0.87   3.23  10.47) =  36.686%  kept
          QB    ALA  120 - HN    LYS+  66  11.32 +/- 0.44   0.036% *  0.5349% (0.97   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    LYS+  66  11.39 +/- 0.81   0.039% *  0.4236% (0.76   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    LYS+  66  11.55 +/- 0.68   0.029% *  0.4438% (0.80   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+  66  12.49 +/- 0.93   0.022% *  0.5349% (0.97   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LYS+  66  12.43 +/- 0.85   0.023% *  0.4236% (0.76   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  66  13.37 +/- 0.32   0.013% *  0.1097% (0.20   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+  66  14.35 +/- 0.47   0.008% *  0.1541% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LYS+  66  22.05 +/- 1.43   0.001% *  0.2080% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 884 (0.40, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.09, residual support = 6.73:
          QB    ALA   64 - HN    LYS+  66   4.43 +/- 0.07 100.000% *100.0000% (0.95   3.09   6.73) = 100.000%  kept
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 885 (3.96, 6.90, 114.80 ppm):
    12 chemical-shift based assignments, quality = 0.638, support = 6.08, residual support = 161.2:
      O   HA    LYS+  65 - HN    LYS+  65   2.85 +/- 0.03  99.840% * 97.8026% (0.64   6.08 161.19) =  99.999%  kept
          HA2   GLY   16 - HN    LYS+  65   8.71 +/- 0.57   0.133% *  0.3364% (0.67   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    LYS+  65  13.24 +/- 0.52   0.010% *  0.3298% (0.65   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  65  14.34 +/- 0.48   0.006% *  0.1974% (0.39   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  65  16.85 +/- 0.29   0.002% *  0.2255% (0.45   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  65  15.54 +/- 0.31   0.004% *  0.0869% (0.17   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  65  20.49 +/- 0.45   0.001% *  0.2664% (0.53   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  65  19.34 +/- 0.21   0.001% *  0.1697% (0.34   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  65  18.36 +/- 0.27   0.001% *  0.1189% (0.24   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  65  23.86 +/- 0.24   0.000% *  0.3364% (0.67   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  65  22.43 +/- 0.49   0.000% *  0.0690% (0.14   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  65  24.82 +/- 0.33   0.000% *  0.0611% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 886 (2.85, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.654, support = 4.73, residual support = 28.0:
      O   HA    ALA   64 - HN    LYS+  65   3.59 +/- 0.02  95.786% * 99.5856% (0.65   4.73  28.02) =  99.996%  kept
          QE    LYS+  66 - HN    LYS+  65   6.69 +/- 0.49   2.619% *  0.0990% (0.15   0.02  26.31) =   0.003%
          HB2   PHE   72 - HN    LYS+  65   7.15 +/- 0.34   1.593% *  0.0990% (0.15   0.02   0.02) =   0.002%
          HB3   ASN   35 - HN    LYS+  65  22.38 +/- 0.37   0.002% *  0.2164% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (1.82, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.528, support = 6.6, residual support = 161.2:
      O   QB    LYS+  65 - HN    LYS+  65   2.16 +/- 0.07  98.348% * 97.6942% (0.53   6.60 161.19) =  99.994%  kept
          QB    LYS+  66 - HN    LYS+  65   4.31 +/- 0.16   1.623% *  0.3665% (0.65   0.02  26.31) =   0.006%
          HB3   GLN   17 - HN    LYS+  65   8.98 +/- 0.62   0.021% *  0.0863% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  65  12.06 +/- 0.24   0.003% *  0.2813% (0.50   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  65  12.73 +/- 0.89   0.003% *  0.1454% (0.26   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  65  15.31 +/- 0.52   0.001% *  0.3840% (0.68   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  65  15.03 +/- 0.34   0.001% *  0.3102% (0.55   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  65  19.79 +/- 0.45   0.000% *  0.3361% (0.60   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  65  19.56 +/- 0.63   0.000% *  0.2506% (0.45   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  65  19.05 +/- 0.35   0.000% *  0.1454% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 888 (1.48, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.137, support = 5.41, residual support = 161.1:
          HG2   LYS+  65 - HN    LYS+  65   3.39 +/- 0.24  96.695% * 91.2586% (0.14   5.41 161.19) =  99.966%  kept
          HG    LEU   67 - HN    LYS+  65   6.83 +/- 1.18   2.974% *  0.8968% (0.36   0.02   0.02) =   0.030%
          HB3   LEU   40 - HN    LYS+  65  12.43 +/- 0.82   0.048% *  1.7007% (0.69   0.02   0.02) =   0.001%
          HG    LEU  115 - HN    LYS+  65  12.71 +/- 0.94   0.045% *  1.6124% (0.65   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HN    LYS+  65  11.37 +/- 0.30   0.074% *  0.8297% (0.34   0.02   0.02) =   0.001%
          QB    ALA  120 - HN    LYS+  65  12.79 +/- 0.40   0.037% *  1.6124% (0.65   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    LYS+  65  12.10 +/- 0.97   0.056% *  0.7007% (0.28   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LYS+  65  12.53 +/- 0.81   0.042% *  0.7007% (0.28   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  65  15.46 +/- 0.55   0.012% *  0.4250% (0.17   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+  65  14.71 +/- 1.04   0.017% *  0.2630% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 890 (1.35, 6.90, 114.80 ppm):
    17 chemical-shift based assignments, quality = 0.219, support = 4.82, residual support = 138.7:
          HG3   LYS+  65 - HN    LYS+  65   3.42 +/- 0.58  87.052% * 43.4588% (0.17   5.26 161.19) =  85.950%  kept
          HB2   LEU   63 - HN    LYS+  65   4.98 +/- 0.16  12.125% * 50.9784% (0.50   2.12   1.35) =  14.043%  kept
          HB3   ASP-  44 - HN    LYS+  65   9.35 +/- 0.41   0.287% *  0.5531% (0.58   0.02   0.02) =   0.004%
          HB    VAL   42 - HN    LYS+  65   8.87 +/- 0.26   0.382% *  0.1651% (0.17   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LYS+  65  12.69 +/- 0.90   0.052% *  0.6264% (0.65   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    LYS+  65  13.82 +/- 0.39   0.026% *  0.6563% (0.68   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+  65  13.49 +/- 0.48   0.032% *  0.2044% (0.21   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  65  17.41 +/- 0.85   0.007% *  0.6563% (0.68   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+  65  18.01 +/- 0.24   0.005% *  0.6607% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  65  17.81 +/- 0.75   0.006% *  0.3484% (0.36   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  65  17.60 +/- 0.34   0.006% *  0.2722% (0.28   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  65  20.97 +/- 0.94   0.002% *  0.4016% (0.42   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LYS+  65  17.56 +/- 0.45   0.006% *  0.1160% (0.12   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LYS+  65  20.66 +/- 0.57   0.002% *  0.2969% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  65  20.08 +/- 0.41   0.003% *  0.2485% (0.26   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  65  18.48 +/- 0.69   0.005% *  0.1310% (0.14   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  65  23.46 +/- 0.75   0.001% *  0.2259% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 891 (0.40, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.654, support = 4.73, residual support = 28.0:
          QB    ALA   64 - HN    LYS+  65   2.70 +/- 0.14 100.000% *100.0000% (0.65   4.73  28.02) = 100.000%  kept
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 892 (3.74, 6.46, 118.53 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 0.75, residual support = 7.58:
          HA    ALA   61 - HN    ALA   64   3.55 +/- 0.14  99.224% * 95.1123% (0.95   0.75   7.58) =  99.984%  kept
          HD2   PRO   68 - HN    ALA   64   8.70 +/- 0.30   0.496% *  2.1470% (0.80   0.02   0.02) =   0.011%
          HD3   PRO   58 - HN    ALA   64   9.63 +/- 0.21   0.256% *  1.7345% (0.65   0.02   0.02) =   0.005%
          HA    VAL   75 - HN    ALA   64  14.25 +/- 0.22   0.025% *  1.0063% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 893 (2.85, 6.46, 118.53 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.22, residual support = 20.8:
      O   HA    ALA   64 - HN    ALA   64   2.80 +/- 0.04  98.418% * 99.5358% (0.95   4.22  20.77) =  99.998%  kept
          HB2   PHE   72 - HN    ALA   64   5.79 +/- 0.35   1.345% *  0.1109% (0.22   0.02  40.06) =   0.002%
          QE    LYS+  66 - HN    ALA   64   7.72 +/- 0.35   0.237% *  0.1109% (0.22   0.02   6.73) =   0.000%
          HB3   ASN   35 - HN    ALA   64  21.11 +/- 0.40   0.001% *  0.2425% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 894 (1.80, 6.46, 118.53 ppm):
    9 chemical-shift based assignments, quality = 0.863, support = 4.63, residual support = 25.8:
          QB    LYS+  65 - HN    ALA   64   4.45 +/- 0.11  62.957% * 81.9909% (0.92   4.86  28.02) =  89.605%  kept
          QB    LYS+  66 - HN    ALA   64   4.90 +/- 0.11  36.006% * 16.6229% (0.34   2.67   6.73) =  10.390%  kept
          HB3   GLN   17 - HN    ALA   64   9.89 +/- 0.37   0.544% *  0.3052% (0.84   0.02   1.22) =   0.003%
          HB2   LEU   71 - HN    ALA   64  11.21 +/- 0.30   0.251% *  0.3456% (0.95   0.02   0.02) =   0.002%
          HG2   PRO   93 - HN    ALA   64  13.17 +/- 0.57   0.098% *  0.2216% (0.61   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    ALA   64  13.22 +/- 0.29   0.093% *  0.0723% (0.20   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    ALA   64  18.18 +/- 0.44   0.014% *  0.3052% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ALA   64  15.84 +/- 0.63   0.032% *  0.0723% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    ALA   64  21.51 +/- 0.38   0.005% *  0.0640% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 895 (1.35, 6.46, 118.53 ppm):
    17 chemical-shift based assignments, quality = 0.726, support = 7.27, residual support = 55.1:
          HB2   LEU   63 - HN    ALA   64   2.77 +/- 0.19  96.947% * 96.8269% (0.73   7.27  55.11) =  99.996%  kept
          HG3   LYS+  65 - HN    ALA   64   5.68 +/- 0.84   2.100% *  0.0915% (0.25   0.02  28.02) =   0.002%
          HB3   ASP-  44 - HN    ALA   64   6.83 +/- 0.44   0.491% *  0.3064% (0.84   0.02   0.02) =   0.002%
          HB    VAL   42 - HN    ALA   64   6.99 +/- 0.32   0.393% *  0.0915% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   64  11.53 +/- 0.45   0.021% *  0.3636% (0.99   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   64  13.29 +/- 0.73   0.009% *  0.3470% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   64  11.74 +/- 0.60   0.018% *  0.1132% (0.31   0.02   0.30) =   0.000%
          HG    LEU   98 - HN    ALA   64  15.29 +/- 0.90   0.004% *  0.3636% (0.99   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA   64  16.02 +/- 0.24   0.003% *  0.3660% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   64  15.47 +/- 0.76   0.004% *  0.1930% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   64  16.12 +/- 0.31   0.003% *  0.1508% (0.41   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA   64  18.92 +/- 0.96   0.001% *  0.2225% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   64  17.87 +/- 0.39   0.001% *  0.1377% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   64  18.98 +/- 0.59   0.001% *  0.1645% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   64  16.36 +/- 0.46   0.002% *  0.0642% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   64  17.71 +/- 0.54   0.002% *  0.0726% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   64  21.64 +/- 0.67   0.000% *  0.1251% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 896 (1.05, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 6.89, residual support = 55.1:
          HG    LEU   63 - HN    ALA   64   4.24 +/- 0.92  95.901% * 98.6128% (0.53   6.89  55.11) =  99.995%  kept
          QD1   ILE  119 - HN    ALA   64   7.83 +/- 0.43   3.808% *  0.1076% (0.20   0.02   0.02) =   0.004%
          HG3   LYS+ 112 - HN    ALA   64  15.02 +/- 0.33   0.072% *  0.5019% (0.92   0.02   0.02) =   0.000%
          HB2   LEU  104 - HN    ALA   64  13.84 +/- 0.31   0.123% *  0.2438% (0.45   0.02   0.02) =   0.000%
          QG2   VAL  108 - HN    ALA   64  14.96 +/- 0.38   0.075% *  0.3298% (0.61   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    ALA   64  18.57 +/- 0.34   0.021% *  0.2041% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.89 A violated in 3 structures by 0.02 A, kept.
 
    Peak 897 (0.88, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.86, residual support = 55.1:
          HB3   LEU   63 - HN    ALA   64   3.54 +/- 0.39  94.876% * 99.3446% (0.97   6.86  55.11) =  99.993%  kept
          QG1   VAL   18 - HN    ALA   64   6.37 +/- 0.30   2.964% *  0.1579% (0.53   0.02   7.96) =   0.005%
          QG1   VAL   70 - HN    ALA   64   7.31 +/- 0.41   1.612% *  0.1234% (0.41   0.02   0.02) =   0.002%
          QD1   LEU  123 - HN    ALA   64   9.02 +/- 0.42   0.411% *  0.0668% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    ALA   64  10.91 +/- 0.63   0.121% *  0.0668% (0.22   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    ALA   64  15.58 +/- 0.33   0.016% *  0.2404% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 898 (0.57, 6.46, 118.53 ppm):
    8 chemical-shift based assignments, quality = 0.798, support = 6.22, residual support = 55.1:
          QD2   LEU   63 - HN    ALA   64   4.48 +/- 0.31  41.595% * 60.7201% (1.00   5.87  55.11) =  53.406%  kept
          QD1   LEU   63 - HN    ALA   64   4.26 +/- 0.49  56.834% * 38.7692% (0.57   6.62  55.11) =  46.592%  kept
          QD2   LEU  115 - HN    ALA   64   8.65 +/- 0.69   0.972% *  0.0516% (0.25   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    ALA   64  10.70 +/- 0.23   0.246% *  0.1256% (0.61   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    ALA   64  11.12 +/- 0.28   0.196% *  0.1172% (0.57   0.02   0.30) =   0.000%
          QD2   LEU   98 - HN    ALA   64  12.58 +/- 0.94   0.108% *  0.0851% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   64  15.84 +/- 1.60   0.030% *  0.0851% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   64  16.28 +/- 0.87   0.020% *  0.0461% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 20.8:
      O   QB    ALA   64 - HN    ALA   64   2.08 +/- 0.06 100.000% *100.0000% (0.95   4.22  20.77) = 100.000%  kept
    Distance limit 3.24 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 = 5.14, residual support = 41.7:
      O   HA    ASP-  62 - HN    LEU   63   3.60 +/- 0.03  99.955% * 99.3495% (0.97   5.14  41.72) = 100.000%  kept
          HA    SER  117 - HN    LEU   63  13.19 +/- 0.38   0.042% *  0.1648% (0.41   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LEU   63  21.03 +/- 0.73   0.003% *  0.3209% (0.80   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LEU   63  26.00 +/- 0.40   0.001% *  0.1648% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (3.93, 7.59, 120.97 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 1.5, residual support = 11.5:
          HA    PHE   60 - HN    LEU   63   3.18 +/- 0.17  99.851% * 92.4872% (0.69   1.50  11.48) =  99.998%  kept
          QB    SER  117 - HN    LEU   63  12.46 +/- 0.31   0.030% *  1.7794% (0.99   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    LEU   63  12.31 +/- 0.44   0.033% *  1.3720% (0.76   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    LEU   63  10.97 +/- 0.41   0.066% *  0.6124% (0.34   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LEU   63  14.26 +/- 0.22   0.013% *  1.2332% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU   63  17.25 +/- 0.16   0.004% *  1.4995% (0.84   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU   63  19.13 +/- 0.34   0.002% *  1.0164% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 902 (3.51, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 7.54, residual support = 235.7:
      O   HA    LEU   63 - HN    LEU   63   2.81 +/- 0.03  99.999% * 99.6052% (0.76   7.54 235.72) = 100.000%  kept
          HA2   GLY  101 - HN    LEU   63  22.15 +/- 0.49   0.000% *  0.2769% (0.80   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LEU   63  21.12 +/- 0.35   0.001% *  0.1179% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 5.14, residual support = 41.7:
          HB2   ASP-  62 - HN    LEU   63   3.37 +/- 0.54  99.958% * 99.7440% (0.98   5.14  41.72) = 100.000%  kept
          HB2   PRO   52 - HN    LEU   63  14.45 +/- 0.39   0.022% *  0.1776% (0.45   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    LEU   63  14.58 +/- 0.36   0.020% *  0.0784% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 904 (2.45, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.14, residual support = 41.7:
          HB3   ASP-  62 - HN    LEU   63   2.96 +/- 0.39  99.990% * 98.9305% (0.95   5.14  41.72) = 100.000%  kept
          HG3   MET   96 - HN    LEU   63  14.67 +/- 0.37   0.009% *  0.3759% (0.92   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    LEU   63  24.15 +/- 1.56   0.001% *  0.2957% (0.73   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    LEU   63  24.39 +/- 0.64   0.000% *  0.2305% (0.57   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    LEU   63  25.00 +/- 1.20   0.000% *  0.1674% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 905 (1.35, 7.59, 120.97 ppm):
    17 chemical-shift based assignments, quality = 0.726, support = 7.99, residual support = 235.7:
      O   HB2   LEU   63 - HN    LEU   63   2.16 +/- 0.09  99.759% * 97.1055% (0.73   7.99 235.72) = 100.000%  kept
          HB3   ASP-  44 - HN    LEU   63   7.37 +/- 0.39   0.070% *  0.2795% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   63   6.73 +/- 0.59   0.128% *  0.0834% (0.25   0.02   1.35) =   0.000%
          HB    VAL   42 - HN    LEU   63   8.65 +/- 0.31   0.026% *  0.0834% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   63  10.83 +/- 0.28   0.006% *  0.3317% (0.99   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   63  12.48 +/- 0.64   0.003% *  0.3165% (0.95   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   63  13.84 +/- 0.31   0.002% *  0.1376% (0.41   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   63  16.30 +/- 0.98   0.001% *  0.3317% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   63  13.83 +/- 0.64   0.002% *  0.1033% (0.31   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   63  16.71 +/- 0.25   0.000% *  0.3339% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   63  15.34 +/- 0.65   0.001% *  0.1760% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   63  16.35 +/- 0.44   0.001% *  0.1256% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   63  20.39 +/- 1.00   0.000% *  0.2030% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   63  17.63 +/- 0.50   0.000% *  0.0586% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LEU   63  20.98 +/- 0.56   0.000% *  0.1500% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   63  20.12 +/- 0.59   0.000% *  0.0662% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   63  22.36 +/- 0.81   0.000% *  0.1141% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.02, residual support = 235.6:
          HG    LEU   63 - HN    LEU   63   3.12 +/- 0.52  99.743% * 34.6541% (1.00   0.02 235.72) =  99.935%  kept
          QG1   VAL  107 - HN    LEU   63   9.15 +/- 0.44   0.222% *  6.0825% (0.18   0.02   0.02) =   0.039%
          HG3   LYS+ 112 - HN    LEU   63  12.79 +/- 0.31   0.033% * 25.2200% (0.73   0.02   0.02) =   0.024%
          QG2   VAL   24 - HN    LEU   63  20.07 +/- 0.41   0.002% * 34.0434% (0.98   0.02   0.02) =   0.002%
    Distance limit 3.48 A violated in 8 structures by 0.11 A, eliminated.
    Peak unassigned.
 
    Peak 907 (0.88, 7.59, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 7.61, residual support = 235.7:
      O   HB3   LEU   63 - HN    LEU   63   3.39 +/- 0.15  98.061% * 99.4086% (0.97   7.61 235.72) =  99.998%  kept
          QG1   VAL   18 - HN    LEU   63   8.20 +/- 0.26   0.531% *  0.1425% (0.53   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    LEU   63   7.52 +/- 0.41   0.919% *  0.0603% (0.22   0.02   0.02) =   0.001%
          QG1   VAL   70 - HN    LEU   63   8.50 +/- 0.40   0.440% *  0.1114% (0.41   0.02   0.02) =   0.001%
          QG1   VAL  108 - HN    LEU   63  14.82 +/- 0.25   0.015% *  0.2169% (0.80   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LEU   63  13.04 +/- 0.58   0.034% *  0.0603% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 908 (0.58, 7.59, 120.97 ppm):
    9 chemical-shift based assignments, quality = 0.868, support = 7.03, residual support = 235.7:
          QD1   LEU   63 - HN    LEU   63   3.63 +/- 0.14  53.567% * 48.1235% (0.90   6.57 235.72) =  52.861%  kept
          QD2   LEU   63 - HN    LEU   63   3.66 +/- 0.81  44.716% * 51.4056% (0.84   7.54 235.72) =  47.136%  kept
          QD2   LEU  115 - HN    LEU   63   6.67 +/- 0.71   1.607% *  0.0924% (0.57   0.02   0.02) =   0.003%
          QD1   LEU   73 - HN    LEU   63  12.95 +/- 0.32   0.024% *  0.1464% (0.90   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   63  12.21 +/- 0.26   0.034% *  0.0454% (0.28   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   63  13.33 +/- 0.84   0.021% *  0.0504% (0.31   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   63  13.59 +/- 1.08   0.020% *  0.0252% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   63  17.69 +/- 0.88   0.004% *  0.0859% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   63  17.20 +/- 1.63   0.005% *  0.0252% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 909 (2.65, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.845, support = 3.84, residual support = 41.0:
      O   HB2   ASP-  62 - HN    ASP-  62   2.41 +/- 0.26  99.995% * 99.6576% (0.84   3.84  41.03) = 100.000%  kept
          HB2   PRO   52 - HN    ASP-  62  13.74 +/- 0.38   0.003% *  0.2375% (0.39   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    ASP-  62  15.00 +/- 0.37   0.002% *  0.1048% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 910 (2.45, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.815, support = 3.84, residual support = 41.0:
      O   HB3   ASP-  62 - HN    ASP-  62   2.66 +/- 0.40  99.997% * 98.5738% (0.82   3.84  41.03) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  62  16.51 +/- 0.37   0.003% *  0.5012% (0.80   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  62  26.04 +/- 1.61   0.000% *  0.3943% (0.63   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    ASP-  62  25.61 +/- 0.59   0.000% *  0.3074% (0.49   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  62  26.25 +/- 1.24   0.000% *  0.2232% (0.35   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 911 (1.84, 7.86, 120.86 ppm):
    14 chemical-shift based assignments, quality = 0.293, support = 0.0181, residual support = 0.0181:
          QB    LYS+  66 - HN    ASP-  62   5.88 +/- 0.13  93.650% *  5.0993% (0.32   0.02   0.02) =  90.615%  kept
          HG    LEU  123 - HN    ASP-  62  11.90 +/- 0.60   1.456% * 12.8527% (0.82   0.02   0.02) =   3.552%
          HG3   PRO   68 - HN    ASP-  62  12.75 +/- 0.17   0.907% *  8.7895% (0.56   0.02   0.02) =   1.513%
          HG2   ARG+  54 - HN    ASP-  62  12.69 +/- 0.33   0.946% *  7.6923% (0.49   0.02   0.02) =   1.381%
          HB3   PRO   52 - HN    ASP-  62  15.20 +/- 0.34   0.315% * 12.8527% (0.82   0.02   0.02) =   0.769%
          HB3   ASP- 105 - HN    ASP-  62  13.90 +/- 0.47   0.551% *  7.1484% (0.45   0.02   0.02) =   0.747%
          HG2   PRO   93 - HN    ASP-  62  11.91 +/- 0.43   1.393% *  2.3795% (0.15   0.02   0.02) =   0.629%
          HB    VAL   41 - HN    ASP-  62  16.88 +/- 0.30   0.168% *  7.6923% (0.49   0.02   0.02) =   0.246%
          QB    LYS+ 106 - HN    ASP-  62  14.78 +/- 0.54   0.379% *  3.3879% (0.21   0.02   0.02) =   0.244%
          HG12  ILE  103 - HN    ASP-  62  20.01 +/- 0.58   0.061% *  9.8662% (0.63   0.02   0.02) =   0.115%
          HB    ILE  103 - HN    ASP-  62  21.01 +/- 0.32   0.045% *  8.2409% (0.52   0.02   0.02) =   0.071%
          QB    LYS+  33 - HN    ASP-  62  19.75 +/- 0.60   0.067% *  5.5858% (0.35   0.02   0.02) =   0.071%
          HB3   GLN   90 - HN    ASP-  62  22.30 +/- 0.35   0.032% *  4.6346% (0.29   0.02   0.02) =   0.028%
          QB    LYS+  81 - HN    ASP-  62  22.63 +/- 0.38   0.029% *  3.7777% (0.24   0.02   0.02) =   0.021%
    Distance limit 4.63 A violated in 20 structures by 1.25 A, eliminated.
    Peak unassigned.
 
    Peak 912 (1.42, 7.86, 120.86 ppm):
    12 chemical-shift based assignments, quality = 0.796, support = 2.79, residual support = 8.32:
          QB    ALA   61 - HN    ASP-  62   2.82 +/- 0.10  98.194% * 94.7960% (0.80   2.79   8.33) =  99.991%  kept
          QG    LYS+  66 - HN    ASP-  62   5.82 +/- 0.87   1.674% *  0.4468% (0.52   0.02   0.02) =   0.008%
          HB3   LEU   67 - HN    ASP-  62   9.71 +/- 0.86   0.068% *  0.5898% (0.69   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ASP-  62  10.47 +/- 0.26   0.039% *  0.7366% (0.86   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  13.61 +/- 0.48   0.008% *  0.3585% (0.42   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  15.40 +/- 0.52   0.004% *  0.7301% (0.85   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  14.74 +/- 0.52   0.005% *  0.3875% (0.45   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  15.17 +/- 0.38   0.004% *  0.3028% (0.35   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  16.72 +/- 0.31   0.002% *  0.1837% (0.21   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  21.25 +/- 1.05   0.001% *  0.7349% (0.86   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  21.52 +/- 1.08   0.001% *  0.5060% (0.59   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  24.08 +/- 1.55   0.000% *  0.2273% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.855, support = 1.64, residual support = 3.71:
          QB    LYS+  66 - HN    LEU   63   4.38 +/- 0.15  61.490% * 36.8617% (0.95   1.10   6.05) =  50.166%  kept
          QB    LYS+  65 - HN    LEU   63   4.76 +/- 0.09  37.786% * 59.5796% (0.76   2.19   1.35) =  49.828%  kept
          HG2   PRO   93 - HN    LEU   63  12.12 +/- 0.46   0.141% *  0.7046% (0.99   0.02   0.02) =   0.002%
          HG    LEU  123 - HN    LEU   63  10.84 +/- 0.64   0.290% *  0.2668% (0.38   0.02   0.02) =   0.002%
          HB2   LEU   71 - HN    LEU   63  13.63 +/- 0.31   0.069% *  0.5162% (0.73   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    LEU   63  14.83 +/- 0.28   0.041% *  0.5693% (0.80   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    LEU   63  12.27 +/- 0.50   0.134% *  0.1583% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   63  16.02 +/- 0.36   0.026% *  0.2668% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   63  18.82 +/- 0.44   0.010% *  0.6167% (0.87   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   63  17.96 +/- 0.59   0.013% *  0.4599% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 914 (3.93, 7.72, 117.18 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 4.87, residual support = 40.9:
      O   HA    PHE   60 - HN    ALA   61   3.63 +/- 0.01  99.849% * 97.5606% (0.69   4.87  40.87) =  99.999%  kept
          HA2   GLY   51 - HN    ALA   61  13.64 +/- 0.16   0.036% *  0.4869% (0.84   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA   61  13.46 +/- 0.27   0.039% *  0.4004% (0.69   0.02   0.02) =   0.000%
          QB    SER  117 - HN    ALA   61  14.44 +/- 0.24   0.025% *  0.5778% (0.99   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    ALA   61  16.02 +/- 0.25   0.014% *  0.4455% (0.76   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ALA   61  14.38 +/- 0.29   0.026% *  0.1988% (0.34   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA   61  16.32 +/- 0.38   0.012% *  0.3300% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 915 (3.74, 7.72, 117.18 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.78, residual support = 18.0:
      O   HA    ALA   61 - HN    ALA   61   2.79 +/- 0.04  98.005% * 98.6313% (0.95   2.78  18.03) =  99.990%  kept
          HD3   PRO   58 - HN    ALA   61   5.35 +/- 0.12   1.980% *  0.4857% (0.65   0.02   0.75) =   0.010%
          HD2   PRO   68 - HN    ALA   61  13.13 +/- 0.31   0.009% *  0.6012% (0.80   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA   61  14.09 +/- 0.28   0.006% *  0.2818% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 916 (3.41, 7.72, 117.18 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.84, residual support = 40.9:
          HB2   PHE   60 - HN    ALA   61   2.57 +/- 0.12  99.957% * 99.4612% (0.84   4.84  40.87) = 100.000%  kept
          HB    THR   46 - HN    ALA   61   9.52 +/- 0.45   0.042% *  0.0974% (0.20   0.02   0.02) =   0.000%
          HB2   TRP   87 - HN    ALA   61  17.92 +/- 0.29   0.001% *  0.4414% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 917 (2.97, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.87, residual support = 40.9:
          HB3   PHE   60 - HN    ALA   61   3.91 +/- 0.07  99.932% * 99.1716% (0.98   4.87  40.87) = 100.000%  kept
          QE    LYS+ 106 - HN    ALA   61  16.33 +/- 0.61   0.020% *  0.3602% (0.87   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   61  14.64 +/- 0.23   0.037% *  0.1707% (0.41   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   61  18.37 +/- 0.52   0.010% *  0.1558% (0.38   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ALA   61  23.84 +/- 0.84   0.002% *  0.1416% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 918 (1.44, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 4.03, residual support = 18.0:
      O   QB    ALA   61 - HN    ALA   61   2.10 +/- 0.06  99.921% * 95.4948% (0.73   4.03  18.03) = 100.000%  kept
          QG    LYS+  66 - HN    ALA   61   8.03 +/- 0.79   0.038% *  0.6392% (0.98   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   61   9.59 +/- 0.57   0.012% *  0.3955% (0.61   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   61   9.33 +/- 0.28   0.014% *  0.3174% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   61  10.87 +/- 0.91   0.007% *  0.5657% (0.87   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   61  10.97 +/- 1.22   0.006% *  0.3174% (0.49   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA   61  14.11 +/- 0.42   0.001% *  0.6464% (0.99   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   61  14.77 +/- 1.11   0.001% *  0.3955% (0.61   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   61  14.54 +/- 0.48   0.001% *  0.2681% (0.41   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   61  19.23 +/- 1.04   0.000% *  0.3431% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   61  24.30 +/- 1.51   0.000% *  0.6169% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 920 (3.72, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.756, support = 6.06, residual support = 37.7:
          HD3   PRO   58 - HN    PHE   59   2.28 +/- 0.02  99.875% * 99.4962% (0.76   6.06  37.68) = 100.000%  kept
          HA    ALA   61 - HN    PHE   59   6.95 +/- 0.08   0.123% *  0.1143% (0.26   0.02   0.21) =   0.000%
          HA    VAL   75 - HN    PHE   59  16.63 +/- 0.38   0.001% *  0.3233% (0.74   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    PHE   59  15.61 +/- 0.29   0.001% *  0.0663% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 921 (3.33, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.765, support = 4.37, residual support = 54.7:
      O   HB2   PHE   59 - HN    PHE   59   2.46 +/- 0.23  99.500% * 98.1865% (0.76   4.37  54.66) =  99.998%  kept
          QB    PHE   55 - HN    PHE   59   6.28 +/- 0.15   0.420% *  0.4285% (0.73   0.02   0.02) =   0.002%
          HB3   CYS   53 - HN    PHE   59   9.29 +/- 0.15   0.039% *  0.3111% (0.53   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    PHE   59  10.29 +/- 0.82   0.023% *  0.2747% (0.47   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    PHE   59  10.92 +/- 0.29   0.015% *  0.3929% (0.67   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   59  14.35 +/- 0.37   0.003% *  0.4062% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 922 (3.17, 7.25, 119.50 ppm):
    3 chemical-shift based assignments, quality = 0.669, support = 4.98, residual support = 54.7:
      O   HB3   PHE   59 - HN    PHE   59   2.26 +/- 0.22  99.986% * 99.8372% (0.67   4.98  54.66) = 100.000%  kept
          HB2   PHE   95 - HN    PHE   59  10.25 +/- 0.19   0.014% *  0.0713% (0.12   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    PHE   59  17.47 +/- 0.18   0.001% *  0.0915% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 923 (2.38, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.192, support = 6.26, residual support = 37.7:
      O   HB2   PRO   58 - HN    PHE   59   4.17 +/- 0.07  99.559% * 95.4354% (0.19   6.26  37.68) =  99.995%  kept
          HB2   GLN  116 - HN    PHE   59  10.59 +/- 0.55   0.386% *  1.0214% (0.64   0.02   0.02) =   0.004%
          HB3   PHE   97 - HN    PHE   59  15.23 +/- 0.32   0.042% *  0.8400% (0.53   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   59  19.76 +/- 0.80   0.009% *  0.9792% (0.62   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    PHE   59  25.75 +/- 0.34   0.002% *  1.1288% (0.71   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   59  25.72 +/- 0.70   0.002% *  0.5952% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 924 (2.08, 7.25, 119.50 ppm):
    8 chemical-shift based assignments, quality = 0.756, support = 6.26, residual support = 37.7:
          HG2   PRO   58 - HN    PHE   59   2.74 +/- 0.12  99.798% * 98.7201% (0.76   6.26  37.68) = 100.000%  kept
          HB2   PRO   93 - HN    PHE   59   8.83 +/- 0.31   0.099% *  0.1323% (0.32   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    PHE   59  11.34 +/- 0.27   0.021% *  0.3154% (0.76   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    PHE   59   9.13 +/- 0.24   0.076% *  0.0564% (0.14   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   59  14.88 +/- 0.39   0.004% *  0.0435% (0.10   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    PHE   59  17.36 +/- 0.12   0.002% *  0.0895% (0.21   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    PHE   59  23.72 +/- 1.07   0.000% *  0.3211% (0.77   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    PHE   59  30.05 +/- 3.09   0.000% *  0.3218% (0.77   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 0.692, support = 6.26, residual support = 37.7:
      O   HB3   PRO   58 - HN    PHE   59   3.21 +/- 0.12  96.867% * 98.7967% (0.69   6.26  37.68) =  99.997%  kept
          HB    ILE   56 - HN    PHE   59   5.72 +/- 0.08   3.108% *  0.0878% (0.19   0.02  18.79) =   0.003%
          HB2   MET   92 - HN    PHE   59  14.29 +/- 0.44   0.013% *  0.2556% (0.56   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   59  14.99 +/- 0.26   0.010% *  0.0878% (0.19   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   59  21.43 +/- 0.43   0.001% *  0.1993% (0.44   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   59  23.53 +/- 1.11   0.001% *  0.1852% (0.41   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   59  29.92 +/- 3.33   0.000% *  0.2556% (0.56   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   59  26.37 +/- 0.37   0.000% *  0.1321% (0.29   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 926 (1.71, 7.25, 119.50 ppm):
    9 chemical-shift based assignments, quality = 0.669, support = 4.12, residual support = 18.8:
          QG1   ILE   56 - HN    PHE   59   4.03 +/- 0.10  99.686% * 97.6541% (0.67   4.12  18.79) =  99.999%  kept
          HB3   MET   92 - HN    PHE   59  12.69 +/- 0.43   0.105% *  0.2451% (0.35   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    PHE   59  13.48 +/- 0.42   0.074% *  0.1865% (0.26   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    PHE   59  15.63 +/- 0.78   0.031% *  0.4377% (0.62   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    PHE   59  16.31 +/- 0.48   0.023% *  0.3315% (0.47   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    PHE   59  14.26 +/- 0.28   0.052% *  0.0843% (0.12   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    PHE   59  19.10 +/- 0.64   0.009% *  0.4566% (0.64   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    PHE   59  20.22 +/- 0.44   0.006% *  0.4177% (0.59   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    PHE   59  17.81 +/- 0.25   0.014% *  0.1865% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 927 (3.76, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.334, support = 0.0196, residual support = 1.96:
          HA    ALA   61 - HN    ALA   57   8.42 +/- 0.16  98.856% * 14.7090% (0.34   0.02   2.00) =  97.961%  kept
          HD2   PRO   68 - HN    ALA   57  18.72 +/- 0.30   0.825% * 22.6869% (0.53   0.02   0.02) =   1.261%
          HA    VAL   24 - HN    ALA   57  23.10 +/- 0.50   0.235% * 41.6148% (0.97   0.02   0.02) =   0.659%
          HA    LYS+  38 - HN    ALA   57  27.37 +/- 0.30   0.084% * 20.9893% (0.49   0.02   0.02) =   0.119%
    Distance limit 3.75 A violated in 20 structures by 4.66 A, eliminated.
    Peak unassigned.
 
    Peak 928 (3.36, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.354, support = 0.0191, residual support = 0.0191:
          HB3   CYS   53 - HN    ALA   57   6.10 +/- 0.06  58.016% * 30.3140% (0.34   0.02   0.02) =  55.947%  kept
          HD2   ARG+  54 - HN    ALA   57   6.78 +/- 0.76  34.128% * 36.5352% (0.41   0.02   0.02) =  39.665%  kept
          HD3   PRO   93 - HN    ALA   57   8.56 +/- 0.32   7.747% * 17.5871% (0.20   0.02   0.02) =   4.334%
          HD3   PRO   68 - HN    ALA   57  17.44 +/- 0.40   0.108% * 15.5637% (0.18   0.02   0.02) =   0.053%
    Distance limit 4.80 A violated in 20 structures by 0.83 A, eliminated.
    Peak unassigned.
 
    Peak 929 (1.90, 7.41, 127.14 ppm):
    8 chemical-shift based assignments, quality = 0.503, support = 4.57, residual support = 24.9:
          HB    ILE   56 - HN    ALA   57   4.23 +/- 0.03  83.019% * 23.6557% (0.25   4.79  25.51) =  60.884%  kept
          HB3   PRO   58 - HN    ALA   57   5.52 +/- 0.03  16.803% * 75.0887% (0.90   4.23  23.97) =  39.115%  kept
          HB2   MET   92 - HN    ALA   57  12.44 +/- 0.62   0.137% *  0.2877% (0.73   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    ALA   57  15.61 +/- 0.31   0.033% *  0.0988% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   57  21.94 +/- 0.40   0.004% *  0.2243% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    ALA   57  24.61 +/- 1.22   0.002% *  0.2085% (0.53   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ALA   57  31.15 +/- 3.76   0.001% *  0.2877% (0.73   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   57  28.78 +/- 0.37   0.001% *  0.1487% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 930 (1.64, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 4.58, residual support = 23.2:
      O   QB    ALA   57 - HN    ALA   57   2.08 +/- 0.02  99.992% * 97.7414% (0.92   4.58  23.20) = 100.000%  kept
          HD2   LYS+  74 - HN    ALA   57  11.59 +/- 0.84   0.004% *  0.4584% (0.99   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   57  11.94 +/- 0.94   0.003% *  0.2251% (0.49   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   57  15.04 +/- 0.16   0.001% *  0.4147% (0.90   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   57  16.80 +/- 0.21   0.000% *  0.2433% (0.53   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ALA   57  18.96 +/- 0.30   0.000% *  0.2992% (0.65   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA   57  21.13 +/- 0.49   0.000% *  0.1901% (0.41   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ALA   57  23.43 +/- 1.02   0.000% *  0.2992% (0.65   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   57  27.46 +/- 0.32   0.000% *  0.1286% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 931 (1.26, 7.41, 127.14 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 4.66, residual support = 25.5:
          QG2   ILE   56 - HN    ALA   57   3.51 +/- 0.04  99.849% * 97.1287% (0.87   4.66  25.51) = 100.000%  kept
          QB    ALA   91 - HN    ALA   57  13.13 +/- 0.81   0.042% *  0.4640% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   57  11.40 +/- 0.68   0.090% *  0.2156% (0.45   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   57  18.92 +/- 0.40   0.004% *  0.4640% (0.97   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   57  19.02 +/- 0.45   0.004% *  0.3303% (0.69   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   57  19.24 +/- 0.32   0.004% *  0.3303% (0.69   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   57  19.66 +/- 0.55   0.003% *  0.1977% (0.41   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   57  20.11 +/- 0.43   0.003% *  0.1640% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   57  24.78 +/- 0.89   0.001% *  0.2340% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   57  30.36 +/- 0.40   0.000% *  0.4713% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 932 (2.88, 7.68, 113.30 ppm):
    5 chemical-shift based assignments, quality = 0.363, support = 3.63, residual support = 61.5:
      O   HB2   ASN   69 - HD21  ASN   69   2.33 +/- 0.04  99.980% * 98.2919% (0.36   3.63  61.48) = 100.000%  kept
          QE    LYS+  66 - HD21  ASN   69  10.32 +/- 1.53   0.019% *  0.6988% (0.47   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD21  ASN   69  16.85 +/- 1.96   0.001% *  0.4401% (0.30   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD21  ASN   69  24.28 +/- 0.66   0.000% *  0.4401% (0.30   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   69  28.19 +/- 0.61   0.000% *  0.1291% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 933 (0.88, 7.68, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.318, support = 4.15, residual support = 28.0:
          QG1   VAL   70 - HD21  ASN   69   3.39 +/- 0.62  99.211% * 97.4979% (0.32   4.15  28.01) =  99.996%  kept
          HB3   LEU   63 - HD21  ASN   69  10.59 +/- 0.96   0.180% *  0.8296% (0.56   0.02   0.02) =   0.002%
          QD1   LEU   71 - HD21  ASN   69   9.09 +/- 1.04   0.327% *  0.2830% (0.19   0.02   0.02) =   0.001%
          QD1   LEU  123 - HD21  ASN   69  11.09 +/- 1.37   0.200% *  0.2830% (0.19   0.02   0.02) =   0.001%
          QG1   VAL   18 - HD21  ASN   69  11.80 +/- 0.49   0.079% *  0.5699% (0.39   0.02   0.02) =   0.000%
          QG1   VAL  108 - HD21  ASN   69  21.33 +/- 0.67   0.002% *  0.5367% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 934 (4.37, 7.68, 113.30 ppm):
    7 chemical-shift based assignments, quality = 0.347, support = 0.0189, residual support = 0.0189:
          HA    LEU  123 - HD21  ASN   69  12.25 +/- 1.64  19.945% * 14.3693% (0.39   0.02   0.02) =  35.877%  kept
          HA    LYS+  99 - HD21  ASN   69  11.84 +/- 1.77  11.953% * 19.7883% (0.53   0.02   0.02) =  29.608%  kept
          HA    LEU   40 - HD21  ASN   69   9.13 +/- 1.67  60.481% *  2.8311% (0.08   0.02   0.02) =  21.434%  kept
          HA    ASN   35 - HD21  ASN   69  14.61 +/- 2.00   3.409% * 17.4728% (0.47   0.02   0.02) =   7.457%  kept
          HA    PHE   59 - HD21  ASN   69  15.87 +/- 1.04   3.252% *  8.6000% (0.23   0.02   0.02) =   3.501%
          HA    ILE   56 - HD21  ASN   69  20.10 +/- 0.77   0.704% * 16.7505% (0.45   0.02   0.02) =   1.475%
          HA    ASP- 113 - HD21  ASN   69  23.74 +/- 0.84   0.256% * 20.1881% (0.54   0.02   0.02) =   0.647%
    Distance limit 5.16 A violated in 20 structures by 3.20 A, eliminated.
    Peak unassigned.
 
    Peak 935 (3.33, 7.59, 115.08 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.42, residual support = 16.1:
          QB    PHE   55 - HN    ILE   56   2.78 +/- 0.09  95.891% * 97.7634% (0.97   4.42  16.13) =  99.982%  kept
          HB3   CYS   53 - HN    ILE   56   5.23 +/- 0.06   2.201% *  0.4419% (0.97   0.02   0.02) =   0.010%
          HB2   PHE   59 - HN    ILE   56   6.15 +/- 0.51   0.929% *  0.3499% (0.76   0.02  18.79) =   0.003%
          HD3   PRO   93 - HN    ILE   56   6.49 +/- 0.32   0.615% *  0.4569% (1.00   0.02   0.02) =   0.003%
          HD2   ARG+  54 - HN    ILE   56   7.19 +/- 0.50   0.359% *  0.4227% (0.92   0.02   0.02) =   0.002%
          HD3   PRO   68 - HN    ILE   56  19.13 +/- 0.34   0.001% *  0.4538% (0.99   0.02   0.02) =   0.000%
          HD3   PRO   93 - HZ2   TRP   87  18.20 +/- 0.30   0.001% *  0.0198% (0.04   0.02   0.02) =   0.000%
          HB3   CYS   53 - HZ2   TRP   87  18.94 +/- 0.53   0.001% *  0.0192% (0.04   0.02   0.02) =   0.000%
          QB    PHE   55 - HZ2   TRP   87  21.18 +/- 0.31   0.001% *  0.0192% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   59 - HZ2   TRP   87  20.51 +/- 0.74   0.001% *  0.0152% (0.03   0.02   0.02) =   0.000%
          HD3   PRO   68 - HZ2   TRP   87  21.44 +/- 0.32   0.000% *  0.0197% (0.04   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HZ2   TRP   87  26.75 +/- 0.58   0.000% *  0.0183% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 936 (1.89, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.867, support = 5.99, residual support = 114.2:
      O   HB    ILE   56 - HN    ILE   56   2.30 +/- 0.03  99.388% * 97.6322% (0.87   5.99 114.22) =  99.999%  kept
          HB3   PRO   58 - HN    ILE   56   7.34 +/- 0.08   0.095% *  0.3008% (0.80   0.02   0.16) =   0.000%
          HG2   ARG+  54 - HN    ILE   56   6.06 +/- 0.52   0.405% *  0.0658% (0.18   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ILE   56  10.28 +/- 0.56   0.014% *  0.3553% (0.95   0.02   0.02) =   0.000%
          HB3   GLN   30 - HZ2   TRP   87   9.25 +/- 0.28   0.024% *  0.0163% (0.04   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ILE   56  14.43 +/- 0.37   0.002% *  0.1684% (0.45   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HZ2   TRP   87   9.15 +/- 0.56   0.027% *  0.0073% (0.02   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE   56  16.73 +/- 0.55   0.001% *  0.1281% (0.34   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   87   9.24 +/- 0.69   0.027% *  0.0025% (0.01   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE   56  16.56 +/- 0.66   0.001% *  0.0743% (0.20   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE   56  19.00 +/- 0.49   0.000% *  0.1544% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ILE   56  22.48 +/- 0.34   0.000% *  0.3748% (1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   87  11.77 +/- 0.19   0.006% *  0.0045% (0.01   0.02   0.02) =   0.000%
          QB    LYS+  81 - HZ2   TRP   87  12.66 +/- 0.14   0.004% *  0.0067% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HZ2   TRP   87  16.59 +/- 0.46   0.001% *  0.0157% (0.04   0.02   0.02) =   0.000%
          HB3   GLN   90 - HZ2   TRP   87  14.34 +/- 0.75   0.002% *  0.0056% (0.01   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   87  13.15 +/- 0.59   0.003% *  0.0032% (0.01   0.02   0.02) =   0.000%
          HB2   MET   92 - HZ2   TRP   87  17.40 +/- 0.32   0.001% *  0.0154% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ILE   56  29.48 +/- 0.32   0.000% *  0.3625% (0.97   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE   56  24.11 +/- 0.44   0.000% *  0.1044% (0.28   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ILE   56  22.14 +/- 0.45   0.000% *  0.0580% (0.15   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE   56  21.81 +/- 0.15   0.000% *  0.0508% (0.14   0.02   0.02) =   0.000%
          HB    ILE   56 - HZ2   TRP   87  19.70 +/- 0.32   0.000% *  0.0141% (0.04   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ILE   56  33.06 +/- 3.75   0.000% *  0.0580% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   58 - HZ2   TRP   87  24.34 +/- 0.32   0.000% *  0.0131% (0.03   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   87  22.77 +/- 0.32   0.000% *  0.0022% (0.01   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HZ2   TRP   87  24.55 +/- 0.57   0.000% *  0.0029% (0.01   0.02   0.02) =   0.000%
          HG3   MET   11 - HZ2   TRP   87  29.47 +/- 2.90   0.000% *  0.0025% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 937 (1.71, 7.59, 115.08 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 5.39, residual support = 114.2:
          QG1   ILE   56 - HN    ILE   56   4.06 +/- 0.02  96.223% * 98.1058% (0.87   5.39 114.22) =  99.997%  kept
          HB3   MET   92 - HN    ILE   56   8.87 +/- 0.57   0.976% *  0.1881% (0.45   0.02   0.02) =   0.002%
          HD2   LYS+ 111 - HN    ILE   56  12.00 +/- 0.29   0.147% *  0.1431% (0.34   0.02   2.31) =   0.000%
          HB2   LEU   73 - HZ2   TRP   87   8.91 +/- 0.83   1.022% *  0.0110% (0.03   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HZ2   TRP   87   9.97 +/- 1.51   0.753% *  0.0146% (0.03   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    ILE   56  15.86 +/- 0.88   0.029% *  0.3359% (0.80   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    ILE   56  15.40 +/- 0.26   0.033% *  0.1431% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    ILE   56  16.99 +/- 0.45   0.018% *  0.2544% (0.61   0.02   0.02) =   0.000%
          HB    ILE   89 - HZ2   TRP   87   9.79 +/- 0.33   0.505% *  0.0062% (0.01   0.02  13.62) =   0.000%
          HB3   LYS+  99 - HZ2   TRP   87  12.09 +/- 0.41   0.142% *  0.0139% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    ILE   56  21.91 +/- 0.67   0.004% *  0.3504% (0.84   0.02   0.02) =   0.000%
          QD    LYS+  99 - HZ2   TRP   87  13.03 +/- 0.48   0.091% *  0.0152% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    ILE   56  22.91 +/- 0.50   0.003% *  0.3206% (0.76   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ILE   56  18.82 +/- 0.23   0.010% *  0.0647% (0.15   0.02   0.02) =   0.000%
          QG1   ILE   56 - HZ2   TRP   87  16.46 +/- 0.27   0.022% *  0.0158% (0.04   0.02   0.02) =   0.000%
          HB3   MET   92 - HZ2   TRP   87  17.14 +/- 0.45   0.017% *  0.0082% (0.02   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HZ2   TRP   87  21.89 +/- 0.41   0.004% *  0.0062% (0.01   0.02   0.02) =   0.000%
          HB2   LEU  123 - HZ2   TRP   87  25.04 +/- 0.46   0.002% *  0.0028% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 938 (1.45, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.197, support = 0.985, residual support = 6.88:
          QB    ALA  110 - HN    ILE   56   3.91 +/- 0.18  94.575% * 55.4996% (0.20   0.99   6.90) =  99.787%  kept
          HB3   LEU  115 - HN    ILE   56   8.50 +/- 0.18   0.928% *  5.2461% (0.92   0.02   0.02) =   0.093%
          QB    ALA   61 - HN    ILE   56   7.73 +/- 0.16   1.647% *  2.1329% (0.38   0.02   0.02) =   0.067%
          HG    LEU  115 - HN    ILE   56   8.51 +/- 0.25   0.945% *  2.1329% (0.38   0.02   0.02) =   0.038%
          QG    LYS+  66 - HN    ILE   56  13.54 +/- 0.70   0.060% *  4.1268% (0.73   0.02   0.02) =   0.005%
          HG    LEU   73 - HZ2   TRP   87   8.95 +/- 0.97   0.885% *  0.2212% (0.04   0.02   0.02) =   0.004%
          QB    ALA  120 - HN    ILE   56  14.72 +/- 0.12   0.034% *  2.1329% (0.38   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ILE   56  17.21 +/- 1.13   0.015% *  4.7469% (0.84   0.02   0.02) =   0.001%
          HG    LEU   73 - HN    ILE   56  18.44 +/- 0.42   0.009% *  5.0967% (0.90   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ILE   56  17.45 +/- 0.89   0.013% *  2.9900% (0.53   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    ILE   56  19.67 +/- 1.03   0.006% *  5.2461% (0.92   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HZ2   TRP   87  12.17 +/- 0.85   0.115% *  0.2380% (0.04   0.02   0.02) =   0.001%
          HG    LEU   80 - HZ2   TRP   87   9.94 +/- 1.01   0.483% *  0.0549% (0.01   0.02   0.02) =   0.001%
          HG    LEU   40 - HZ2   TRP   87  12.39 +/- 0.82   0.105% *  0.2277% (0.04   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE   56  20.13 +/- 1.06   0.006% *  1.2652% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE   56  26.95 +/- 1.60   0.001% *  5.4846% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ILE   56  21.09 +/- 0.59   0.004% *  1.1247% (0.20   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE   56  20.47 +/- 0.41   0.005% *  0.8769% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   40 - HZ2   TRP   87  13.64 +/- 0.26   0.055% *  0.0488% (0.01   0.02   0.02) =   0.000%
          HG    LEU   67 - HZ2   TRP   87  17.76 +/- 0.64   0.011% *  0.2060% (0.04   0.02   0.02) =   0.000%
          HB3   LEU  115 - HZ2   TRP   87  18.27 +/- 0.70   0.010% *  0.2277% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   67 - HZ2   TRP   87  17.01 +/- 0.45   0.014% *  0.1298% (0.02   0.02   0.02) =   0.000%
          HG12  ILE   19 - HZ2   TRP   87  15.14 +/- 0.66   0.031% *  0.0381% (0.01   0.02   0.02) =   0.000%
          QB    ALA   61 - HZ2   TRP   87  17.86 +/- 0.30   0.011% *  0.0926% (0.02   0.02   0.02) =   0.000%
          QG    LYS+  66 - HZ2   TRP   87  20.29 +/- 0.55   0.005% *  0.1791% (0.03   0.02   0.02) =   0.000%
          QB    ALA  110 - HZ2   TRP   87  16.48 +/- 0.31   0.017% *  0.0488% (0.01   0.02   0.02) =   0.000%
          HG    LEU  115 - HZ2   TRP   87  20.31 +/- 1.09   0.005% *  0.0926% (0.02   0.02   0.02) =   0.000%
          QB    ALA  120 - HZ2   TRP   87  20.39 +/- 0.35   0.005% *  0.0926% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 939 (1.27, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.3, residual support = 114.2:
          QG2   ILE   56 - HN    ILE   56   2.85 +/- 0.04  99.693% * 98.3686% (1.00   6.30 114.22) = 100.000%  kept
          QB    ALA   91 - HN    ILE   56  11.41 +/- 0.82   0.031% *  0.2269% (0.73   0.02   0.02) =   0.000%
          QB    ALA   34 - HZ2   TRP   87   8.20 +/- 0.25   0.181% *  0.0128% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ILE   56  12.01 +/- 0.57   0.019% *  0.0618% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ILE   56  19.72 +/- 0.28   0.001% *  0.2956% (0.95   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   56  19.76 +/- 0.39   0.001% *  0.2269% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ILE   56  20.23 +/- 0.43   0.001% *  0.2021% (0.65   0.02   0.02) =   0.000%
          QG2   THR   39 - HZ2   TRP   87  12.52 +/- 0.51   0.014% *  0.0098% (0.03   0.02   0.02) =   0.000%
          QG2   THR   23 - HZ2   TRP   87  12.59 +/- 0.33   0.014% *  0.0088% (0.03   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   56  20.32 +/- 0.37   0.001% *  0.1173% (0.38   0.02   0.02) =   0.000%
          QG2   ILE   56 - HZ2   TRP   87  14.78 +/- 0.28   0.005% *  0.0136% (0.04   0.02   0.02) =   0.000%
          QB    ALA   91 - HZ2   TRP   87  14.14 +/- 0.70   0.007% *  0.0098% (0.03   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HZ2   TRP   87  16.42 +/- 0.71   0.003% *  0.0128% (0.04   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   56  20.82 +/- 0.52   0.001% *  0.0547% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HZ2   TRP   87  13.51 +/- 0.60   0.009% *  0.0030% (0.01   0.02   0.02) =   0.000%
          HG13  ILE   19 - HZ2   TRP   87  15.38 +/- 0.62   0.004% *  0.0051% (0.02   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HZ2   TRP   87  13.98 +/- 0.43   0.007% *  0.0027% (0.01   0.02   0.02) =   0.000%
          HG    LEU   71 - HZ2   TRP   87  13.89 +/- 0.77   0.008% *  0.0024% (0.01   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   56  30.95 +/- 0.37   0.000% *  0.2956% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   56  25.14 +/- 0.81   0.000% *  0.0696% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 941 (3.34, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.911, support = 5.22, residual support = 56.9:
          HB3   CYS   53 - HN    ARG+  54   3.89 +/- 0.09  51.279% * 34.3660% (0.94   5.07  30.50) =  60.564%  kept
          HD2   ARG+  54 - HN    ARG+  54   4.82 +/- 0.27  14.819% * 46.4475% (0.95   6.79 161.14) =  23.656%  kept
          QB    PHE   55 - HN    ARG+  54   4.41 +/- 0.11  24.477% * 18.7432% (0.76   3.42   1.96) =  15.767%  kept
          HD3   PRO   93 - HN    ARG+  54   6.56 +/- 0.31   2.370% *  0.1226% (0.85   0.02   0.02) =   0.010%
          HB2   PHE   59 - HN    ASP-  62   5.53 +/- 0.22   6.406% *  0.0135% (0.09   0.02   6.35) =   0.003%
          HB2   PHE   59 - HN    ARG+  54   9.92 +/- 0.58   0.200% *  0.0719% (0.50   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ASP-  62  10.11 +/- 0.37   0.169% *  0.0222% (0.15   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    ASP-  62  10.24 +/- 0.16   0.155% *  0.0205% (0.14   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    ASP-  62  11.83 +/- 0.20   0.065% *  0.0254% (0.18   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASP-  62  13.18 +/- 1.01   0.038% *  0.0256% (0.18   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASP-  62  14.18 +/- 0.30   0.022% *  0.0229% (0.16   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ARG+  54  21.81 +/- 0.39   0.002% *  0.1186% (0.82   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 944 (2.03, 7.87, 121.30 ppm):
    28 chemical-shift based assignments, quality = 0.263, support = 6.38, residual support = 161.1:
      O   HB2   ARG+  54 - HN    ARG+  54   3.27 +/- 0.47  99.427% * 91.0556% (0.26   6.38 161.14) =  99.999%  kept
          HB    ILE  119 - HN    ASP-  62   9.74 +/- 0.40   0.177% *  0.1088% (0.10   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ARG+  54  13.99 +/- 0.26   0.020% *  0.8225% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ASP-  62  11.38 +/- 0.21   0.067% *  0.1905% (0.18   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ASP-  62  11.48 +/- 0.43   0.068% *  0.1396% (0.13   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ARG+  54  13.89 +/- 0.31   0.021% *  0.2287% (0.21   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ARG+  54  16.66 +/- 0.26   0.007% *  0.5816% (0.54   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ARG+  54  15.81 +/- 0.23   0.009% *  0.3504% (0.32   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ARG+  54  18.46 +/- 0.51   0.004% *  0.7459% (0.69   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP-  62  14.46 +/- 0.43   0.017% *  0.1396% (0.13   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASP-  62  12.53 +/- 0.32   0.041% *  0.0534% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASP-  62  15.29 +/- 0.45   0.012% *  0.1539% (0.14   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP-  62  11.43 +/- 0.20   0.066% *  0.0260% (0.02   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASP-  62  13.18 +/- 0.36   0.029% *  0.0428% (0.04   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ARG+  54  22.52 +/- 0.25   0.001% *  1.0181% (0.94   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ARG+  54  22.95 +/- 0.79   0.001% *  0.8910% (0.82   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ARG+  54  22.55 +/- 0.63   0.001% *  0.7459% (0.69   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP-  62  18.98 +/- 0.79   0.003% *  0.1667% (0.15   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP-  62  14.49 +/- 0.21   0.016% *  0.0337% (0.03   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ARG+  54  23.38 +/- 0.42   0.001% *  0.5816% (0.54   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ARG+  54  19.70 +/- 0.30   0.003% *  0.1799% (0.17   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP-  62  19.01 +/- 0.70   0.003% *  0.1088% (0.10   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASP-  62  17.52 +/- 0.38   0.005% *  0.0656% (0.06   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ARG+  54  27.30 +/- 0.52   0.000% *  0.5404% (0.50   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ARG+  54  23.09 +/- 0.23   0.001% *  0.1390% (0.13   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ARG+  54  31.73 +/- 0.24   0.000% *  0.6645% (0.61   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP-  62  24.70 +/- 0.44   0.001% *  0.1243% (0.11   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP-  62  26.67 +/- 0.47   0.000% *  0.1011% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.02 A, kept.
 
    Peak 945 (1.86, 7.87, 121.30 ppm):
    26 chemical-shift based assignments, quality = 0.938, support = 6.66, residual support = 161.1:
          HG2   ARG+  54 - HN    ARG+  54   2.96 +/- 0.33  94.624% * 97.0290% (0.94   6.66 161.14) =  99.993%  kept
          HB    ILE   56 - HN    ARG+  54   5.64 +/- 0.14   2.400% *  0.1430% (0.46   0.02   0.02) =   0.004%
          HB3   PRO   52 - HN    ARG+  54   5.46 +/- 0.06   2.773% *  0.0907% (0.29   0.02   0.02) =   0.003%
          HB    ILE   56 - HN    ASP-  62   9.59 +/- 0.17   0.093% *  0.0268% (0.09   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ARG+  54  16.16 +/- 0.51   0.004% *  0.2835% (0.91   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP-  62  12.69 +/- 0.33   0.019% *  0.0545% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ASP-  62  12.75 +/- 0.17   0.018% *  0.0531% (0.17   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ARG+  54  16.76 +/- 0.36   0.004% *  0.2635% (0.85   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ARG+  54  17.94 +/- 0.61   0.003% *  0.2712% (0.87   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ASP-  62  13.90 +/- 0.47   0.011% *  0.0549% (0.18   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ASP-  62  11.90 +/- 0.60   0.028% *  0.0170% (0.05   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ARG+  54  19.83 +/- 0.72   0.001% *  0.2931% (0.94   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASP-  62  14.78 +/- 0.54   0.008% *  0.0493% (0.16   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ARG+  54  24.34 +/- 0.20   0.000% *  0.2835% (0.91   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ASP-  62  15.20 +/- 0.34   0.006% *  0.0170% (0.05   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ARG+  54  24.68 +/- 0.44   0.000% *  0.2880% (0.93   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ARG+  54  25.21 +/- 0.47   0.000% *  0.2912% (0.94   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ARG+  54  21.16 +/- 0.38   0.001% *  0.0907% (0.29   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP-  62  19.75 +/- 0.60   0.001% *  0.0545% (0.18   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASP-  62  21.01 +/- 0.32   0.001% *  0.0539% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP-  62  22.30 +/- 0.35   0.001% *  0.0531% (0.17   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP-  62  22.63 +/- 0.38   0.001% *  0.0507% (0.16   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ARG+  54  23.38 +/- 0.41   0.000% *  0.0581% (0.19   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP-  62  19.18 +/- 0.48   0.002% *  0.0109% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP-  62  23.31 +/- 0.50   0.000% *  0.0188% (0.06   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ARG+  54  31.94 +/- 0.29   0.000% *  0.1002% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 946 (1.42, 7.87, 121.30 ppm):
    24 chemical-shift based assignments, quality = 0.163, support = 2.79, residual support = 8.32:
          QB    ALA   61 - HN    ASP-  62   2.82 +/- 0.10  96.765% * 72.1179% (0.16   2.79   8.33) =  99.929%  kept
          QB    ALA  110 - HN    ARG+  54   5.77 +/- 0.15   1.356% *  2.9948% (0.95   0.02   0.02) =   0.058%
          QG    LYS+  66 - HN    ASP-  62   5.82 +/- 0.87   1.650% *  0.3399% (0.11   0.02   0.02) =   0.008%
          QB    ALA   61 - HN    ARG+  54   9.10 +/- 0.19   0.086% *  2.7645% (0.87   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    ASP-  62   9.71 +/- 0.86   0.067% *  0.4487% (0.14   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ASP-  62  10.47 +/- 0.26   0.038% *  0.5604% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ARG+  54  14.52 +/- 0.55   0.006% *  1.4577% (0.46   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ARG+  54  16.33 +/- 0.78   0.003% *  1.8164% (0.57   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ARG+  54  19.65 +/- 1.10   0.001% *  2.9882% (0.94   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  13.61 +/- 0.48   0.008% *  0.2728% (0.09   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  15.40 +/- 0.52   0.004% *  0.5554% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ARG+  54  19.50 +/- 0.96   0.001% *  2.0572% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ARG+  54  20.23 +/- 0.92   0.001% *  2.3980% (0.76   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ARG+  54  21.25 +/- 0.43   0.001% *  2.9683% (0.94   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  14.74 +/- 0.52   0.005% *  0.2948% (0.09   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ARG+  54  19.61 +/- 0.36   0.001% *  1.2312% (0.39   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  15.17 +/- 0.38   0.004% *  0.2304% (0.07   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ARG+  54  22.31 +/- 0.66   0.000% *  1.5756% (0.50   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ARG+  54  21.18 +/- 0.48   0.001% *  0.7468% (0.24   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  16.72 +/- 0.31   0.002% *  0.1397% (0.04   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  21.25 +/- 1.05   0.001% *  0.5591% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  21.52 +/- 1.08   0.001% *  0.3849% (0.12   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ARG+  54  29.62 +/- 1.51   0.000% *  0.9243% (0.29   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  24.08 +/- 1.55   0.000% *  0.1730% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 0.367, support = 3.69, residual support = 15.3:
          HD2   PRO   52 - HN    GLY   51   2.14 +/- 0.09  83.451% * 45.2006% (0.34   3.84  16.57) =  81.973%  kept
      O   HA2   GLY   51 - HN    GLY   51   2.82 +/- 0.03  16.463% * 50.3862% (0.49   3.00   9.36) =  18.026%  kept
          QB    SER   48 - HN    GLY   51   6.82 +/- 0.25   0.083% *  0.5271% (0.76   0.02   0.02) =   0.001%
          HB    THR   94 - HN    GLY   51  12.39 +/- 0.21   0.002% *  0.4462% (0.65   0.02   0.02) =   0.000%
          QB    SER   85 - HN    GLY   51  16.76 +/- 0.62   0.000% *  0.6656% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    GLY   51  21.90 +/- 0.30   0.000% *  0.6367% (0.92   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLY   51  17.55 +/- 0.33   0.000% *  0.1208% (0.18   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLY   51  19.79 +/- 0.28   0.000% *  0.1720% (0.25   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    GLY   51  25.04 +/- 0.19   0.000% *  0.6524% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    GLY   51  25.78 +/- 0.50   0.000% *  0.6656% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLY   51  26.34 +/- 0.19   0.000% *  0.3905% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLY   51  30.26 +/- 0.47   0.000% *  0.1365% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.33 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 = 1.11, residual support = 6.72:
      O   QB    CYS   50 - HN    CYS   50   2.82 +/- 0.02  99.604% * 94.9583% (0.69   1.11   6.72) =  99.991%  kept
          HB3   ASP-  78 - HN    CYS   50   7.43 +/- 0.59   0.340% *  2.0802% (0.84   0.02   0.02) =   0.007%
          QE    LYS+  74 - HN    CYS   50  10.09 +/- 0.85   0.055% *  1.8085% (0.73   0.02   0.02) =   0.001%
          HB3   HIS  122 - HN    CYS   50  23.21 +/- 0.32   0.000% *  0.3843% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   50  28.24 +/- 0.29   0.000% *  0.7687% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 2.21, residual support = 11.9:
          QB    ALA   47 - HN    CYS   50   2.04 +/- 0.07  99.998% * 97.8841% (0.57   2.21  11.86) = 100.000%  kept
          QB    ALA   64 - HN    CYS   50  14.44 +/- 0.36   0.001% *  1.1384% (0.73   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    CYS   50  14.39 +/- 0.24   0.001% *  0.7029% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    CYS   50  14.66 +/- 0.31   0.001% *  0.2746% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 950 (3.96, 6.63, 116.57 ppm):
    12 chemical-shift based assignments, quality = 0.379, support = 3.89, residual support = 14.5:
          QB    SER   48 - HN    TRP   49   3.48 +/- 0.34  47.374% * 64.8698% (0.45   3.95  14.55) =  69.329%  kept
      O   HA    SER   48 - HN    TRP   49   3.51 +/- 0.06  44.076% * 30.7630% (0.22   3.77  14.55) =  30.588%  kept
          HD2   PRO   52 - HN    TRP   49   4.84 +/- 0.40   7.297% *  0.4743% (0.65   0.02   3.50) =   0.078%
          HA2   GLY   51 - HN    TRP   49   6.39 +/- 0.16   1.205% *  0.1632% (0.22   0.02   0.02) =   0.004%
          HB    THR   94 - HN    TRP   49  11.85 +/- 0.37   0.030% *  0.2501% (0.34   0.02   0.02) =   0.000%
          QB    SER   85 - HN    TRP   49  14.13 +/- 0.61   0.011% *  0.7076% (0.97   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    TRP   49  15.56 +/- 0.63   0.006% *  0.3014% (0.41   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    TRP   49  23.23 +/- 0.49   0.001% *  0.7267% (0.99   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    TRP   49  26.39 +/- 0.60   0.000% *  0.7076% (0.97   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    TRP   49  27.23 +/- 0.33   0.000% *  0.5036% (0.69   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    TRP   49  28.70 +/- 0.51   0.000% *  0.3287% (0.45   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    TRP   49  27.96 +/- 0.37   0.000% *  0.2039% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 84.7:
      O   HB3   TRP   49 - HN    TRP   49   2.98 +/- 0.24  99.995% * 99.4929% (0.80   4.09  84.72) = 100.000%  kept
          HB3   PHE   59 - HN    TRP   49  16.09 +/- 0.72   0.005% *  0.5071% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 0.409, support = 2.61, residual support = 9.67:
      O   QB    SER   48 - HN    SER   48   2.35 +/- 0.13  70.100% * 62.5678% (0.45   2.61   9.67) =  82.621%  kept
      O   HA    SER   48 - HN    SER   48   2.72 +/- 0.03  29.689% * 31.0702% (0.22   2.61   9.67) =  17.376%  kept
          HD2   PRO   52 - HN    SER   48   6.53 +/- 0.43   0.169% *  0.6910% (0.65   0.02   0.02) =   0.002%
          HA2   GLY   51 - HN    SER   48   8.89 +/- 0.16   0.025% *  0.2378% (0.22   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER   48  11.77 +/- 0.62   0.005% *  1.0308% (0.97   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   48  10.43 +/- 0.48   0.010% *  0.3643% (0.34   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER   48  13.31 +/- 0.85   0.002% *  0.4391% (0.41   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   48  23.28 +/- 0.48   0.000% *  1.0586% (0.99   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   48  26.06 +/- 0.61   0.000% *  1.0308% (0.97   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   48  27.40 +/- 0.37   0.000% *  0.7337% (0.69   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   48  26.62 +/- 0.50   0.000% *  0.4789% (0.45   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    SER   48  27.66 +/- 0.39   0.000% *  0.2970% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (0.38, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.08, residual support = 6.28:
          QB    ALA   47 - HN    SER   48   2.70 +/- 0.02  99.992% * 99.1201% (0.90   4.08   6.28) = 100.000%  kept
          QG1   VAL   42 - HN    SER   48  14.89 +/- 0.27   0.004% *  0.4337% (0.80   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    SER   48  15.73 +/- 0.39   0.003% *  0.2033% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    SER   48  17.03 +/- 0.53   0.002% *  0.2428% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 0.825, support = 0.02, residual support = 0.02:
          HB2   PHE   60 - HN    ALA   47   9.74 +/- 0.36  84.011% * 52.2208% (0.84   0.02   0.02) =  85.169%  kept
          HB2   TRP   87 - HN    ALA   47  12.95 +/- 0.48  15.989% * 47.7792% (0.76   0.02   0.02) =  14.831%  kept
    Distance limit 4.44 A violated in 20 structures by 5.01 A, eliminated.
    Peak unassigned.
 
    Peak 958 (2.79, 7.01, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 2.96, residual support = 11.9:
          QB    CYS   50 - HN    ALA   47   3.25 +/- 0.29  98.920% * 98.3889% (0.97   2.96  11.86) =  99.995%  kept
          QE    LYS+  74 - HN    ALA   47   8.65 +/- 0.83   0.383% *  0.6759% (0.98   0.02   0.02) =   0.003%
          HB3   ASP-  78 - HN    ALA   47   7.69 +/- 0.64   0.681% *  0.3356% (0.49   0.02   0.02) =   0.002%
          HB2   PHE   72 - HN    ALA   47  14.56 +/- 0.90   0.015% *  0.1535% (0.22   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ALA   47  25.46 +/- 0.35   0.000% *  0.4461% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 959 (0.74, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.2, residual support = 12.7:
          QG2   THR   46 - HN    ALA   47   3.61 +/- 0.31  99.712% * 97.5694% (0.97   3.20  12.68) =  99.999%  kept
          QG2   VAL   18 - HN    ALA   47  11.20 +/- 0.47   0.128% *  0.5659% (0.90   0.02   0.02) =   0.001%
          QG1   VAL   43 - HN    ALA   47  11.46 +/- 0.89   0.133% *  0.4335% (0.69   0.02   0.02) =   0.001%
          QD1   ILE   19 - HN    ALA   47  16.00 +/- 0.28   0.015% *  0.5969% (0.95   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    ALA   47  17.28 +/- 0.24   0.009% *  0.3072% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ALA   47  20.30 +/- 0.36   0.003% *  0.5271% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 960 (0.39, 7.01, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.36, residual support = 9.07:
      O   QB    ALA   47 - HN    ALA   47   2.28 +/- 0.08  99.988% * 98.0236% (0.57   2.36   9.07) = 100.000%  kept
          QB    ALA   64 - HN    ALA   47  12.40 +/- 0.39   0.004% *  1.0634% (0.73   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    ALA   47  11.86 +/- 0.27   0.005% *  0.6565% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    ALA   47  13.19 +/- 0.39   0.003% *  0.2565% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 961 (3.47, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.25, residual support = 34.5:
      O   HB    THR   46 - HN    THR   46   3.19 +/- 0.28  99.909% * 96.2187% (0.25   3.25  34.52) =  99.999%  kept
          HB2   HIS   22 - HN    THR   46  10.88 +/- 0.85   0.080% *  0.8101% (0.34   0.02   0.02) =   0.001%
          HA    LYS+ 112 - HN    THR   46  15.51 +/- 0.28   0.009% *  1.8151% (0.76   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    THR   46  19.63 +/- 0.43   0.002% *  1.1561% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 962 (1.32, 8.46, 117.19 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 3.7, residual support = 9.54:
          QG2   THR   77 - HN    THR   46   2.95 +/- 0.18  99.209% * 95.7679% (0.61   3.70   9.54) =  99.998%  kept
          HB3   ASP-  44 - HN    THR   46   7.30 +/- 0.46   0.512% *  0.1898% (0.22   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    THR   46   8.64 +/- 0.95   0.210% *  0.3505% (0.41   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    THR   46  10.84 +/- 0.42   0.044% *  0.8066% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   46  12.91 +/- 0.46   0.016% *  0.2632% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   46  15.06 +/- 0.37   0.006% *  0.5516% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   46  16.95 +/- 0.53   0.003% *  0.4827% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   46  21.56 +/- 0.31   0.001% *  0.7647% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   46  25.22 +/- 0.31   0.000% *  0.8229% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 963 (1.03, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.92, support = 0.0193, residual support = 0.0193:
          QG2   VAL  108 - HN    THR   46  11.77 +/- 0.62  64.792% * 32.0586% (0.99   0.02   0.02) =  72.802%  kept
          QD1   ILE  119 - HN    THR   46  14.34 +/- 0.25  20.129% * 25.8997% (0.80   0.02   0.02) =  18.273%  kept
          HB2   LEU  104 - HN    THR   46  18.27 +/- 0.35   4.717% * 32.0586% (0.99   0.02   0.02) =   5.300%  kept
          HG3   LYS+ 112 - HN    THR   46  15.99 +/- 0.33  10.361% *  9.9831% (0.31   0.02   0.02) =   3.625%
    Distance limit 4.93 A violated in 20 structures by 6.20 A, eliminated.
    Peak unassigned.
 
    Peak 964 (0.75, 8.46, 117.19 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.39, residual support = 34.5:
          QG2   THR   46 - HN    THR   46   2.23 +/- 0.13  99.899% * 97.4006% (0.97   3.39  34.52) =  99.999%  kept
          QG1   VAL   43 - HN    THR   46   8.05 +/- 0.81   0.062% *  0.5638% (0.95   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    THR   46   9.30 +/- 0.45   0.021% *  0.5947% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    THR   46  10.17 +/- 0.52   0.013% *  0.0920% (0.15   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    THR   46  12.91 +/- 0.27   0.003% *  0.4094% (0.69   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    THR   46  13.93 +/- 0.23   0.002% *  0.4773% (0.80   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    THR   46  14.71 +/- 0.55   0.001% *  0.1486% (0.25   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    THR   46  17.73 +/- 0.44   0.000% *  0.3136% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 965 (0.45, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 1.66, residual support = 1.91:
          QG1   VAL   75 - HN    THR   46   4.24 +/- 0.42  99.635% * 99.0129% (0.92   1.66   1.91) =  99.996%  kept
          QD1   LEU  115 - HN    THR   46  11.02 +/- 0.24   0.365% *  0.9871% (0.76   0.02   0.02) =   0.004%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 966 (3.96, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 3.3, residual support = 27.2:
          HB    THR   94 - HN    PHE   45   3.94 +/- 0.25  99.131% * 94.1909% (0.65   3.30  27.20) =  99.996%  kept
          QB    SER   48 - HN    PHE   45  11.50 +/- 0.28   0.175% *  0.6747% (0.76   0.02   0.02) =   0.001%
          QB    SER   85 - HN    PHE   45  12.15 +/- 0.34   0.121% *  0.8520% (0.97   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    PHE   45  10.79 +/- 0.15   0.246% *  0.3012% (0.34   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    PHE   45  11.43 +/- 0.32   0.174% *  0.1546% (0.18   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    PHE   45  14.10 +/- 0.19   0.050% *  0.4297% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    PHE   45  15.88 +/- 0.35   0.025% *  0.8150% (0.92   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   45  14.59 +/- 0.27   0.041% *  0.2201% (0.25   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    PHE   45  18.79 +/- 0.54   0.009% *  0.8520% (0.97   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    PHE   45  18.90 +/- 0.31   0.009% *  0.8352% (0.95   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   45  18.11 +/- 0.35   0.011% *  0.4998% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    PHE   45  18.83 +/- 0.45   0.009% *  0.1747% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.89 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 = 3.66, residual support = 77.3:
      O   HB2   PHE   45 - HN    PHE   45   2.15 +/- 0.04  99.987% * 99.2193% (0.99   3.66  77.25) = 100.000%  kept
          HB2   CYS   21 - HN    PHE   45   9.80 +/- 0.33   0.011% *  0.2450% (0.45   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    PHE   45  13.28 +/- 0.28   0.002% *  0.5357% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 968 (2.43, 8.74, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.99, residual support = 77.3:
      O   HB3   PHE   45 - HN    PHE   45   3.43 +/- 0.01  99.177% * 98.0654% (0.87   3.99  77.25) =  99.998%  kept
          HB    VAL  107 - HN    PHE   45   7.83 +/- 0.26   0.717% *  0.2540% (0.45   0.02   0.02) =   0.002%
          QE    LYS+ 112 - HN    PHE   45  12.01 +/- 0.30   0.054% *  0.4914% (0.87   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    PHE   45  13.62 +/- 0.47   0.026% *  0.4536% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    PHE   45  13.88 +/- 0.42   0.023% *  0.2126% (0.38   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   45  19.82 +/- 0.80   0.003% *  0.5229% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 3.4, residual support = 12.5:
          HB3   ASP-  44 - HN    PHE   45   4.36 +/- 0.17  60.006% * 64.8413% (0.49   3.53  12.79) =  86.698%  kept
          QG2   THR   77 - HN    PHE   45   5.25 +/- 0.10  19.725% * 30.1081% (0.31   2.59  10.42) =  13.233%  kept
          HB3   PRO   93 - HN    PHE   45   5.53 +/- 0.31  15.108% *  0.1164% (0.15   0.02   0.02) =   0.039%
          QB    ALA   84 - HN    PHE   45   7.08 +/- 0.21   3.364% *  0.1322% (0.18   0.02   0.41) =   0.010%
          QB    ALA   88 - HN    PHE   45   9.41 +/- 0.45   0.608% *  0.5184% (0.69   0.02   0.02) =   0.007%
          HB3   LEU   80 - HN    PHE   45  10.42 +/- 1.12   0.400% *  0.5480% (0.73   0.02   0.02) =   0.005%
          HB2   LEU   63 - HN    PHE   45  10.03 +/- 0.42   0.418% *  0.4577% (0.61   0.02   0.02) =   0.004%
          HG2   LYS+ 111 - HN    PHE   45  12.56 +/- 0.31   0.106% *  0.6966% (0.92   0.02   0.02) =   0.002%
          HG    LEU   98 - HN    PHE   45  11.61 +/- 1.34   0.205% *  0.1882% (0.25   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    PHE   45  15.11 +/- 0.51   0.036% *  0.6546% (0.87   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    PHE   45  17.65 +/- 0.26   0.014% *  0.7530% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   45  22.00 +/- 0.39   0.004% *  0.7283% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   45  20.28 +/- 0.44   0.006% *  0.2574% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 0.8, support = 1.08, residual support = 10.9:
          QD1   ILE   89 - HN    PHE   45   4.34 +/- 0.03  97.075% * 95.9834% (0.80   1.08  10.92) =  99.934%  kept
          QG2   VAL   83 - HN    PHE   45   8.23 +/- 0.44   2.229% *  2.1686% (0.98   0.02   1.23) =   0.052%
          QD2   LEU   31 - HN    PHE   45   9.92 +/- 0.33   0.696% *  1.8480% (0.84   0.02   0.02) =   0.014%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 971 (2.42, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 4.1, residual support = 12.5:
          HB3   PHE   45 - HN    THR   46   3.00 +/- 0.09  99.947% * 98.4422% (1.00   4.10  12.49) = 100.000%  kept
          HB    VAL  107 - HN    THR   46  11.98 +/- 0.29   0.025% *  0.3852% (0.80   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    THR   46  13.46 +/- 0.32   0.012% *  0.4800% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    THR   46  14.36 +/- 0.48   0.009% *  0.2157% (0.45   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    THR   46  20.18 +/- 0.70   0.001% *  0.2918% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    THR   46  16.07 +/- 0.46   0.004% *  0.0651% (0.14   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    THR   46  19.53 +/- 1.07   0.001% *  0.1200% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 973 (6.59, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 0.75, residual support = 8.18:
          HN    CYS   50 - HN    CYS   53   4.88 +/- 0.10  99.971% * 97.1186% (0.87   0.75   8.18) =  99.999%  kept
        T HN    VAL   83 - HN    CYS   53  19.02 +/- 0.44   0.029% *  2.8814% (0.97   0.02   0.02) =   0.001%
    Distance limit 5.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 974 (4.53, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 7.17, residual support = 48.9:
      O   HA    PRO   52 - HN    CYS   53   3.46 +/- 0.00  99.901% * 99.5430% (0.61   7.17  48.94) = 100.000%  kept
          HA    LYS+ 111 - HN    CYS   53  10.97 +/- 0.12   0.099% *  0.4570% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.83 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 = 4.92, residual support = 42.0:
      O   HA    CYS   53 - HN    CYS   53   2.74 +/- 0.03  99.996% * 98.8053% (0.90   4.92  41.97) = 100.000%  kept
          HA    GLU- 114 - HN    CYS   53  16.46 +/- 0.24   0.002% *  0.1843% (0.41   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    CYS   53  18.58 +/- 0.31   0.001% *  0.2899% (0.65   0.02   0.02) =   0.000%
          HA    THR   26 - HN    CYS   53  24.15 +/- 0.52   0.000% *  0.3425% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    CYS   53  25.51 +/- 0.39   0.000% *  0.1843% (0.41   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    CYS   53  26.50 +/- 1.19   0.000% *  0.1246% (0.28   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    CYS   53  26.18 +/- 0.33   0.000% *  0.0692% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 0.341, support = 7.19, residual support = 48.9:
          HD2   PRO   52 - HN    CYS   53   2.26 +/- 0.00  98.170% * 94.6864% (0.34   7.19  48.94) =  99.993%  kept
          HA2   GLY   51 - HN    CYS   53   4.41 +/- 0.05   1.793% *  0.3756% (0.49   0.02   0.02) =   0.007%
          QB    SER   48 - HN    CYS   53   9.07 +/- 0.30   0.024% *  0.5897% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    CYS   53  10.45 +/- 0.34   0.010% *  0.4992% (0.65   0.02   0.02) =   0.000%
          QB    SER   85 - HN    CYS   53  17.07 +/- 0.66   0.001% *  0.7447% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    CYS   53  18.75 +/- 0.27   0.000% *  0.7124% (0.92   0.02   0.02) =   0.000%
          QB    SER  117 - HN    CYS   53  16.74 +/- 0.23   0.001% *  0.1924% (0.25   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    CYS   53  21.25 +/- 0.20   0.000% *  0.7300% (0.95   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    CYS   53  17.13 +/- 0.32   0.001% *  0.1351% (0.18   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    CYS   53  23.06 +/- 0.48   0.000% *  0.7447% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    CYS   53  22.62 +/- 0.19   0.000% *  0.4369% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    CYS   53  28.42 +/- 0.45   0.000% *  0.1527% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 0.922, support = 5.2, residual support = 43.0:
      O   HB2   CYS   53 - HN    CYS   53   2.87 +/- 0.11  80.728% * 58.6340% (0.98   5.05  41.97) =  85.891%  kept
          HD3   PRO   52 - HN    CYS   53   3.66 +/- 0.00  19.056% * 40.8007% (0.57   6.08  48.94) =  14.108%  kept
          HD2   PRO   58 - HN    CYS   53   7.73 +/- 0.10   0.214% *  0.1533% (0.65   0.02   0.02) =   0.001%
          HA    VAL   83 - HN    CYS   53  19.97 +/- 0.46   0.001% *  0.1341% (0.57   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    CYS   53  24.54 +/- 0.34   0.000% *  0.1533% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    CYS   53  28.75 +/- 0.32   0.000% *  0.1246% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 978 (3.33, 8.09, 110.83 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.07, residual support = 42.0:
      O   HB3   CYS   53 - HN    CYS   53   2.20 +/- 0.08  97.014% * 98.1379% (0.97   5.07  41.97) =  99.988%  kept
          HD3   PRO   93 - HN    CYS   53   4.18 +/- 0.28   2.459% *  0.4003% (1.00   0.02   0.02) =   0.010%
          QB    PHE   55 - HN    CYS   53   5.43 +/- 0.13   0.444% *  0.3872% (0.97   0.02   0.02) =   0.002%
          HD2   ARG+  54 - HN    CYS   53   7.33 +/- 0.29   0.073% *  0.3704% (0.92   0.02  30.50) =   0.000%
          HB2   PHE   59 - HN    CYS   53  10.35 +/- 0.72   0.010% *  0.3066% (0.76   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    CYS   53  22.13 +/- 0.41   0.000% *  0.3977% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 979 (2.79, 8.09, 110.83 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 2.96, residual support = 8.18:
          QB    CYS   50 - HN    CYS   53   4.00 +/- 0.38  99.464% * 98.0457% (0.69   2.96   8.18) =  99.996%  kept
          QE    LYS+  74 - HN    CYS   53  10.78 +/- 0.61   0.328% *  0.7010% (0.73   0.02   0.02) =   0.002%
          HB3   ASP-  78 - HN    CYS   53  11.76 +/- 0.63   0.197% *  0.8063% (0.84   0.02   0.02) =   0.002%
          HB3   HIS  122 - HN    CYS   53  19.47 +/- 0.28   0.009% *  0.1490% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   53  26.12 +/- 0.31   0.001% *  0.2980% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 980 (2.30, 8.09, 110.83 ppm):
    11 chemical-shift based assignments, quality = 0.249, support = 7.19, residual support = 48.9:
          HG2   PRO   52 - HN    CYS   53   4.19 +/- 0.02  89.424% * 94.9744% (0.25   7.19  48.94) =  99.903%  kept
          HG2   MET   92 - HN    CYS   53   6.27 +/- 0.73   9.899% *  0.8092% (0.76   0.02   0.02) =   0.094%
          HB2   ASP-  44 - HN    CYS   53  10.66 +/- 0.32   0.338% *  0.2640% (0.25   0.02   0.02) =   0.001%
          QG    GLU- 114 - HN    CYS   53  13.51 +/- 0.32   0.081% *  0.7273% (0.69   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    CYS   53  14.62 +/- 0.44   0.050% *  0.6422% (0.61   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   53  12.01 +/- 0.50   0.168% *  0.1433% (0.14   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    CYS   53  15.76 +/- 0.73   0.033% *  0.1854% (0.18   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   53  22.58 +/- 0.84   0.004% *  0.3612% (0.34   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   53  30.46 +/- 3.26   0.001% *  0.8479% (0.80   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   53  23.62 +/- 1.18   0.003% *  0.2357% (0.22   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    CYS   53  32.58 +/- 0.68   0.000% *  0.8092% (0.76   0.02   0.02) =   0.000%
    Distance limit 5.16 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 = 0.98, support = 7.19, residual support = 48.9:
          HG3   PRO   52 - HN    CYS   53   3.00 +/- 0.02  90.633% * 98.8845% (0.98   7.19  48.94) =  99.990%  kept
          HB2   PRO   93 - HN    CYS   53   4.61 +/- 0.16   7.017% *  0.1153% (0.41   0.02   0.02) =   0.009%
          HB2   ARG+  54 - HN    CYS   53   5.85 +/- 0.60   2.269% *  0.0491% (0.18   0.02  30.50) =   0.001%
          HG2   PRO   58 - HN    CYS   53   9.87 +/- 0.09   0.072% *  0.2749% (0.98   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   53  14.06 +/- 0.23   0.009% *  0.0380% (0.14   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    CYS   53  27.12 +/- 1.19   0.000% *  0.2798% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    CYS   53  24.32 +/- 0.25   0.000% *  0.0780% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    CYS   53  34.20 +/- 3.88   0.000% *  0.2805% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.62 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 = 0.7, support = 6.51, residual support = 45.0:
      O   HB3   PRO   52 - HN    CYS   53   4.30 +/- 0.01  60.462% * 55.6216% (0.65   7.19  48.94) =  78.767%  kept
          HG2   ARG+  54 - HN    CYS   53   5.18 +/- 0.38  21.187% * 42.7459% (0.90   3.99  30.50) =  21.212%  kept
          HB    ILE   56 - HN    CYS   53   5.27 +/- 0.18  18.202% *  0.0473% (0.20   0.02   0.02) =   0.020%
          HB3   GLN   90 - HN    CYS   53  13.53 +/- 0.44   0.064% *  0.1642% (0.69   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    CYS   53  15.16 +/- 0.34   0.032% *  0.1353% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    CYS   53  15.78 +/- 0.55   0.026% *  0.1450% (0.61   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    CYS   53  18.69 +/- 0.73   0.009% *  0.2073% (0.87   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    CYS   53  22.85 +/- 0.38   0.003% *  0.2207% (0.92   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    CYS   53  21.66 +/- 0.40   0.004% *  0.1546% (0.65   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    CYS   53  24.66 +/- 0.23   0.002% *  0.2261% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    CYS   53  24.17 +/- 0.40   0.002% *  0.1827% (0.76   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    CYS   53  21.67 +/- 0.39   0.004% *  0.0897% (0.38   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    CYS   53  21.23 +/- 0.31   0.004% *  0.0596% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 983 (8.05, 7.85, 118.81 ppm):
    8 chemical-shift based assignments, quality = 0.777, support = 5.81, residual support = 44.6:
        T HN    GLN   32 - HN    LEU   31   2.77 +/- 0.11  96.038% * 98.9841% (0.78   5.82  44.62) =  99.997%  kept
          HN    ALA   34 - HN    LEU   31   4.75 +/- 0.11   3.925% *  0.0629% (0.14   0.02   4.96) =   0.003%
          HN    THR   94 - HN    PHE   55  10.71 +/- 0.42   0.030% *  0.0496% (0.11   0.02   0.02) =   0.000%
          HN    SER   85 - HN    LEU   31  15.21 +/- 0.46   0.004% *  0.4067% (0.93   0.02   0.02) =   0.000%
          HN    THR   94 - HN    LEU   31  17.16 +/- 0.30   0.002% *  0.1016% (0.23   0.02   0.02) =   0.000%
          HN    SER   85 - HN    PHE   55  21.45 +/- 0.55   0.000% *  0.1984% (0.45   0.02   0.02) =   0.000%
        T HN    GLN   32 - HN    PHE   55  28.69 +/- 0.44   0.000% *  0.1661% (0.38   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    PHE   55  27.39 +/- 0.39   0.000% *  0.0307% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.527, support = 6.97, residual support = 51.2:
        T HN    GLN   30 - HN    LEU   31   2.50 +/- 0.05  96.294% * 98.4471% (0.53   6.97  51.17) =  99.981%  kept
          HN    GLU-  29 - HN    LEU   31   4.31 +/- 0.15   3.700% *  0.4893% (0.91   0.02   0.02) =   0.019%
          HN    ASP-  86 - HN    LEU   31  14.25 +/- 0.47   0.003% *  0.3229% (0.60   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    LEU   31  15.15 +/- 0.44   0.002% *  0.1388% (0.26   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    PHE   55  17.34 +/- 0.35   0.001% *  0.0677% (0.13   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    PHE   55  22.76 +/- 0.48   0.000% *  0.1575% (0.29   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    PHE   55  27.87 +/- 0.46   0.000% *  0.2387% (0.44   0.02   0.02) =   0.000%
        T HN    GLN   30 - HN    PHE   55  26.32 +/- 0.40   0.000% *  0.1379% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 985 (4.47, 7.84, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.482, support = 2.89, residual support = 19.7:
      O   HA    PHE   55 - HN    PHE   55   2.90 +/- 0.00  89.654% * 94.0486% (0.48   2.89  19.68) =  99.975%  kept
          HA    TRP   27 - HN    LEU   31   4.21 +/- 0.22   9.987% *  0.1808% (0.13   0.02  14.48) =   0.021%
          HA    ALA  110 - HN    PHE   55   7.38 +/- 0.22   0.335% *  0.9614% (0.71   0.02   0.47) =   0.004%
          HA    ALA   91 - HN    PHE   55  12.95 +/- 0.66   0.012% *  0.4407% (0.33   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    PHE   55  15.56 +/- 0.49   0.004% *  0.8584% (0.64   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    PHE   55  14.80 +/- 0.28   0.005% *  0.6069% (0.45   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LEU   31  18.78 +/- 0.74   0.001% *  0.6502% (0.48   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   31  20.35 +/- 0.36   0.001% *  0.4597% (0.34   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   31  22.69 +/- 0.33   0.000% *  0.7282% (0.54   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   31  22.14 +/- 0.44   0.000% *  0.3338% (0.25   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    PHE   55  23.34 +/- 0.46   0.000% *  0.2387% (0.18   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LEU   31  27.33 +/- 0.40   0.000% *  0.4925% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 986 (3.33, 7.84, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.787, support = 3.03, residual support = 19.7:
      O   QB    PHE   55 - HN    PHE   55   2.10 +/- 0.09  99.279% * 94.4248% (0.79   3.03  19.68) =  99.996%  kept
          HD2   ARG+  54 - HN    PHE   55   5.52 +/- 0.44   0.341% *  0.5448% (0.69   0.02   1.96) =   0.002%
          HB3   CYS   53 - HN    PHE   55   5.64 +/- 0.07   0.268% *  0.5798% (0.73   0.02   0.02) =   0.002%
          HD3   PRO   93 - HN    PHE   55   6.98 +/- 0.33   0.077% *  0.6267% (0.79   0.02   0.02) =   0.001%
          HB2   PHE   59 - HN    PHE   55   8.06 +/- 0.40   0.034% *  0.5246% (0.66   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    LEU   31  19.47 +/- 0.32   0.000% *  0.4758% (0.60   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   55  21.01 +/- 0.39   0.000% *  0.6281% (0.79   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   31  21.63 +/- 0.50   0.000% *  0.4392% (0.56   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   31  22.55 +/- 0.34   0.000% *  0.4747% (0.60   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    LEU   31  22.98 +/- 0.79   0.000% *  0.3974% (0.50   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   31  24.17 +/- 0.37   0.000% *  0.4715% (0.60   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   31  28.58 +/- 0.96   0.000% *  0.4127% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 0.456, support = 3.51, residual support = 14.8:
          HA    ASN   28 - HN    LEU   31   3.24 +/- 0.09  63.318% * 67.6511% (0.50   3.63  17.67) =  81.963%  kept
      O   HA    ARG+  54 - HN    PHE   55   3.57 +/- 0.02  35.002% * 26.9141% (0.25   2.96   1.96) =  18.026%  kept
          HA    THR   26 - HN    LEU   31   6.37 +/- 0.16   1.094% *  0.2884% (0.39   0.02   0.02) =   0.006%
          HA    ALA   34 - HN    LEU   31   7.34 +/- 0.17   0.471% *  0.4303% (0.58   0.02   4.96) =   0.004%
          HA1   GLY  101 - HN    LEU   31  10.23 +/- 1.77   0.089% *  0.4448% (0.60   0.02   0.02) =   0.001%
          HA    LEU  115 - HN    PHE   55  12.54 +/- 0.22   0.019% *  0.5105% (0.69   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    PHE   55  15.24 +/- 0.24   0.006% *  0.5568% (0.75   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   31  22.31 +/- 0.32   0.001% *  0.3867% (0.52   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   31  25.49 +/- 0.32   0.000% *  0.4217% (0.57   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    PHE   55  27.51 +/- 0.39   0.000% *  0.5680% (0.77   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    PHE   55  26.94 +/- 0.57   0.000% *  0.4916% (0.66   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    PHE   55  28.15 +/- 1.01   0.000% *  0.5873% (0.79   0.02   0.02) =   0.000%
          HA    THR   26 - HN    PHE   55  27.01 +/- 0.62   0.000% *  0.3807% (0.51   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    PHE   55  24.95 +/- 0.47   0.000% *  0.1310% (0.18   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   31  25.45 +/- 0.54   0.000% *  0.1376% (0.19   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   31  27.11 +/- 0.93   0.000% *  0.0993% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 7.05, residual support = 231.9:
      O   HA    LEU   31 - HN    LEU   31   2.77 +/- 0.03 100.000% * 99.8619% (0.60   7.05 231.90) = 100.000%  kept
          HA    LEU   31 - HN    PHE   55  25.86 +/- 0.45   0.000% *  0.1381% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.475, support = 5.77, residual support = 42.6:
          HB2   GLN   30 - HN    LEU   31   3.19 +/- 0.32  60.423% * 34.4623% (0.48   6.20  51.17) =  73.745%  kept
          HB2   ARG+  54 - HN    PHE   55   3.51 +/- 0.15  33.767% * 14.5626% (0.39   3.26   1.96) =  17.415%  kept
          HG3   GLN   30 - HN    LEU   31   4.93 +/- 0.23   5.103% * 48.9115% (0.60   7.10  51.17) =   8.839%  kept
          HB2   PRO   93 - HN    PHE   55   7.04 +/- 0.40   0.558% *  0.0408% (0.18   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    LEU   31   9.66 +/- 0.54   0.082% *  0.0429% (0.19   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    PHE   55  12.17 +/- 0.27   0.019% *  0.1038% (0.45   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LEU   31  13.49 +/- 0.72   0.011% *  0.1205% (0.52   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    PHE   55  14.45 +/- 0.28   0.007% *  0.1469% (0.64   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU   31  13.17 +/- 0.91   0.012% *  0.0676% (0.29   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   55  14.74 +/- 0.30   0.006% *  0.1038% (0.45   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU   31  16.17 +/- 0.39   0.004% *  0.0676% (0.29   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LEU   31  19.09 +/- 0.39   0.001% *  0.1205% (0.52   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    PHE   55  19.10 +/- 0.50   0.001% *  0.0893% (0.39   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    PHE   55  22.09 +/- 0.19   0.001% *  0.1591% (0.69   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    PHE   55  23.99 +/- 0.81   0.000% *  0.1818% (0.79   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    PHE   55  24.24 +/- 0.45   0.000% *  0.1469% (0.64   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   55  22.78 +/- 0.55   0.000% *  0.0893% (0.39   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LEU   31  22.89 +/- 0.78   0.000% *  0.0787% (0.34   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LEU   31  19.85 +/- 0.47   0.001% *  0.0309% (0.13   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LEU   31  25.31 +/- 0.40   0.000% *  0.1112% (0.48   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LEU   31  25.65 +/- 0.29   0.000% *  0.0787% (0.34   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    PHE   55  31.38 +/- 0.24   0.000% *  0.1591% (0.69   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LEU   31  27.88 +/- 0.63   0.000% *  0.0676% (0.29   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   55  28.95 +/- 0.48   0.000% *  0.0566% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 990 (1.34, 7.85, 118.81 ppm):
    24 chemical-shift based assignments, quality = 0.777, support = 7.05, residual support = 231.9:
      O   HB2   LEU   31 - HN    LEU   31   2.55 +/- 0.04  99.737% * 95.9597% (0.78   7.05 231.90) = 100.000%  kept
          HB3   PRO   93 - HN    PHE   55   7.43 +/- 0.31   0.169% *  0.1154% (0.33   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   31  10.52 +/- 1.20   0.027% *  0.2826% (0.81   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   31  11.77 +/- 0.44   0.011% *  0.3081% (0.88   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   31  12.33 +/- 0.30   0.008% *  0.2489% (0.71   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    PHE   55  11.50 +/- 0.43   0.012% *  0.1586% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   31  12.74 +/- 0.49   0.007% *  0.1586% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   31  12.20 +/- 0.43   0.008% *  0.1223% (0.35   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    PHE   55  12.84 +/- 0.30   0.006% *  0.1575% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    PHE   55  12.72 +/- 0.24   0.006% *  0.1214% (0.35   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   31  15.11 +/- 0.43   0.002% *  0.3250% (0.93   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    PHE   55  15.19 +/- 0.42   0.002% *  0.1214% (0.35   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   31  18.04 +/- 0.62   0.001% *  0.3229% (0.92   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   31  19.80 +/- 0.47   0.000% *  0.2365% (0.68   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   31  16.76 +/- 0.89   0.001% *  0.0645% (0.18   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    PHE   55  20.43 +/- 0.92   0.000% *  0.1503% (0.43   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   31  23.52 +/- 0.71   0.000% *  0.3081% (0.88   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   55  21.16 +/- 0.43   0.000% *  0.1503% (0.43   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   55  22.79 +/- 1.23   0.000% *  0.1378% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   31  25.46 +/- 0.32   0.000% *  0.2489% (0.71   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    PHE   55  19.79 +/- 0.63   0.000% *  0.0314% (0.09   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   55  27.14 +/- 0.53   0.000% *  0.1327% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   55  27.41 +/- 0.41   0.000% *  0.0773% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   55  32.51 +/- 0.38   0.000% *  0.0596% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 7.05, residual support = 231.9:
      O   HB3   LEU   31 - HN    LEU   31   3.54 +/- 0.01  98.661% * 98.3894% (0.83   7.05 231.90) =  99.999%  kept
          QG1   VAL   24 - HN    LEU   31   8.59 +/- 0.30   0.493% *  0.0693% (0.21   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    LEU   31  11.07 +/- 0.30   0.107% *  0.2790% (0.83   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    PHE   55   8.90 +/- 0.45   0.410% *  0.0468% (0.14   0.02   0.24) =   0.000%
          QG2   VAL  107 - HN    PHE   55   9.53 +/- 0.23   0.260% *  0.0468% (0.14   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    PHE   55  12.92 +/- 0.23   0.042% *  0.1401% (0.42   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    PHE   55  15.98 +/- 0.49   0.012% *  0.1361% (0.41   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    LEU   31  17.12 +/- 0.28   0.008% *  0.0960% (0.29   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    LEU   31  23.04 +/- 0.39   0.001% *  0.2871% (0.86   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    LEU   31  23.04 +/- 0.50   0.001% *  0.1637% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    PHE   55  21.40 +/- 0.27   0.002% *  0.0798% (0.24   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    PHE   55  26.62 +/- 0.58   0.001% *  0.1361% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    PHE   55  21.98 +/- 1.01   0.002% *  0.0338% (0.10   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LEU   31  27.86 +/- 0.48   0.000% *  0.0960% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 0.639, support = 7.53, residual support = 231.9:
          HG    LEU   31 - HN    LEU   31   2.44 +/- 0.14  97.076% * 98.3514% (0.64   7.53 231.90) =  99.994%  kept
          QD1   ILE   56 - HN    PHE   55   4.82 +/- 0.09   1.750% *  0.1839% (0.45   0.02  16.13) =   0.003%
          QD2   LEU   73 - HN    LEU   31   5.91 +/- 0.38   0.604% *  0.3177% (0.78   0.02   1.38) =   0.002%
          QG1   VAL   41 - HN    LEU   31   5.83 +/- 0.24   0.568% *  0.0666% (0.16   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    PHE   55  16.93 +/- 0.51   0.001% *  0.1550% (0.38   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    LEU   31  20.09 +/- 0.28   0.000% *  0.3769% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   31  21.72 +/- 0.66   0.000% *  0.2612% (0.64   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    PHE   55  21.12 +/- 0.57   0.000% *  0.1274% (0.31   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    PHE   55  25.05 +/- 0.65   0.000% *  0.1274% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    PHE   55  20.33 +/- 0.32   0.000% *  0.0325% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 993 (0.04, 7.85, 118.81 ppm):
    4 chemical-shift based assignments, quality = 0.184, support = 6.81, residual support = 231.9:
          QD2   LEU   31 - HN    LEU   31   2.06 +/- 0.11  99.958% * 97.7215% (0.18   6.81 231.90) =  99.999%  kept
          QG2   VAL   43 - HN    LEU   31   7.75 +/- 0.48   0.040% *  1.4374% (0.92   0.02   0.02) =   0.001%
          QG2   VAL   43 - HN    PHE   55  13.96 +/- 0.41   0.001% *  0.7012% (0.45   0.02   0.02) =   0.000%
          QD2   LEU   31 - HN    PHE   55  19.80 +/- 0.44   0.000% *  0.1400% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 994 (0.60, 7.85, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.601, support = 1.38, residual support = 1.38:
          QD1   LEU   73 - HN    LEU   31   3.94 +/- 0.34  95.915% * 87.2261% (0.60   1.38   1.38) =  99.935%  kept
          QD2   LEU   80 - HN    LEU   31   8.40 +/- 0.56   1.196% *  1.8797% (0.90   0.02   0.02) =   0.027%
          QG1   VAL   83 - HN    LEU   31   8.04 +/- 0.53   1.563% *  1.2600% (0.60   0.02   0.02) =   0.024%
          QD2   LEU  115 - HN    PHE   55   8.75 +/- 0.14   0.885% *  0.8988% (0.43   0.02   0.02) =   0.009%
          QD1   LEU   63 - HN    PHE   55  10.63 +/- 0.40   0.278% *  0.6146% (0.29   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LEU   31  12.98 +/- 0.57   0.085% *  1.9305% (0.92   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    LEU   31  14.78 +/- 0.65   0.038% *  1.2600% (0.60   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LEU   31  20.20 +/- 0.55   0.006% *  1.8424% (0.88   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    PHE   55  18.59 +/- 0.84   0.010% *  0.9169% (0.44   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    PHE   55  18.02 +/- 0.36   0.012% *  0.6146% (0.29   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    PHE   55  19.88 +/- 0.99   0.008% *  0.6146% (0.29   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    PHE   55  21.00 +/- 0.45   0.005% *  0.9417% (0.45   0.02   0.02) =   0.000%
    Distance limit 5.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 995 (1.90, 7.85, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.676, support = 7.65, residual support = 51.2:
          HB3   GLN   30 - HN    LEU   31   2.95 +/- 0.30  87.508% * 97.8599% (0.68   7.65  51.17) =  99.990%  kept
          HB    ILE   56 - HN    PHE   55   4.17 +/- 0.05  12.205% *  0.0645% (0.17   0.02  16.13) =   0.009%
          HB3   PRO   58 - HN    PHE   55   8.35 +/- 0.12   0.191% *  0.1685% (0.44   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    PHE   55  10.78 +/- 0.71   0.054% *  0.1491% (0.39   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   31  13.49 +/- 0.32   0.011% *  0.1853% (0.49   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    LEU   31  12.35 +/- 0.53   0.019% *  0.0544% (0.14   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   31  15.27 +/- 1.47   0.007% *  0.1322% (0.35   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   31  22.84 +/- 3.00   0.001% *  0.1995% (0.53   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   31  22.95 +/- 0.44   0.000% *  0.3056% (0.81   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   31  25.73 +/- 0.41   0.000% *  0.3453% (0.91   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   55  16.93 +/- 0.32   0.003% *  0.0265% (0.07   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   31  23.14 +/- 0.36   0.000% *  0.1322% (0.35   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   55  24.25 +/- 0.37   0.000% *  0.1248% (0.33   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   55  27.84 +/- 1.25   0.000% *  0.0645% (0.17   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   55  31.66 +/- 0.32   0.000% *  0.0904% (0.24   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   55  34.45 +/- 3.94   0.000% *  0.0973% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 996 (2.72, 7.85, 118.81 ppm):
    6 chemical-shift based assignments, quality = 0.51, support = 6.46, residual support = 48.1:
          HG2   GLN   30 - HN    LEU   31   4.82 +/- 0.11  60.339% * 86.2613% (0.49   7.04  51.17) =  90.772%  kept
          HB3   ASN   28 - HN    LEU   31   5.18 +/- 0.14  39.631% * 13.3517% (0.71   0.75  17.67) =   9.228%  kept
          QE    LYS+ 121 - HN    LEU   31  19.53 +/- 1.06   0.014% *  0.0631% (0.13   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    PHE   55  20.00 +/- 0.68   0.012% *  0.0308% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    PHE   55  25.43 +/- 0.39   0.003% *  0.1196% (0.24   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    PHE   55  29.31 +/- 0.54   0.001% *  0.1737% (0.35   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 997 (3.85, 7.85, 118.81 ppm):
    18 chemical-shift based assignments, quality = 0.639, support = 6.39, residual support = 51.2:
      O   HA    GLN   30 - HN    LEU   31   3.61 +/- 0.03  87.066% * 96.6622% (0.64   6.39  51.17) =  99.986%  kept
          HB2   CYS   53 - HN    PHE   55   5.17 +/- 0.08  10.139% *  0.0597% (0.13   0.02   0.02) =   0.007%
          HD3   PRO   52 - HN    PHE   55   6.70 +/- 0.07   2.136% *  0.1642% (0.35   0.02   0.02) =   0.004%
          HB    THR   39 - HN    LEU   31   9.47 +/- 0.50   0.281% *  0.3199% (0.68   0.02   0.02) =   0.001%
          HB3   SER   37 - HN    LEU   31   9.52 +/- 0.41   0.269% *  0.2494% (0.53   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    LEU   31  13.83 +/- 0.83   0.030% *  0.4318% (0.91   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LEU   31  16.47 +/- 2.79   0.031% *  0.3366% (0.71   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   31  17.61 +/- 0.28   0.007% *  0.2494% (0.53   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    PHE   55  15.90 +/- 0.28   0.012% *  0.1217% (0.26   0.02   0.02) =   0.000%
          HB    THR  118 - HN    PHE   55  14.38 +/- 0.20   0.022% *  0.0478% (0.10   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   31  25.86 +/- 0.36   0.001% *  0.3366% (0.71   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   31  22.27 +/- 0.47   0.002% *  0.1225% (0.26   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   31  21.67 +/- 0.36   0.002% *  0.0981% (0.21   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    PHE   55  25.24 +/- 0.49   0.001% *  0.2106% (0.44   0.02   0.02) =   0.000%
          QB    SER   13 - HN    PHE   55  26.48 +/- 1.70   0.001% *  0.1642% (0.35   0.02   0.02) =   0.000%
          HB    THR   39 - HN    PHE   55  26.47 +/- 0.37   0.001% *  0.1560% (0.33   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    PHE   55  26.68 +/- 0.41   0.001% *  0.1476% (0.31   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    PHE   55  29.29 +/- 0.78   0.000% *  0.1217% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 6.31, residual support = 161.1:
      O   HA    ARG+  54 - HN    ARG+  54   2.71 +/- 0.01  99.930% * 96.8982% (0.61   6.31 161.14) = 100.000%  kept
          HA    LEU  115 - HN    ASP-  62  10.79 +/- 0.35   0.026% *  0.0886% (0.18   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ARG+  54  14.37 +/- 0.21   0.005% *  0.4737% (0.94   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASP-  62  10.54 +/- 0.15   0.029% *  0.0575% (0.11   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ARG+  54  17.24 +/- 0.23   0.002% *  0.3071% (0.61   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASP-  62  15.34 +/- 0.37   0.003% *  0.0575% (0.11   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASP-  62  15.94 +/- 0.66   0.003% *  0.0467% (0.09   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ARG+  54  18.46 +/- 0.55   0.001% *  0.0832% (0.17   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ARG+  54  25.98 +/- 0.60   0.000% *  0.4748% (0.95   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ASP-  62  20.04 +/- 0.48   0.001% *  0.0840% (0.17   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ARG+  54  27.31 +/- 0.40   0.000% *  0.4491% (0.89   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ARG+  54  28.23 +/- 1.16   0.000% *  0.3802% (0.76   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ARG+  54  26.77 +/- 0.47   0.000% *  0.2498% (0.50   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ASP-  62  23.32 +/- 0.54   0.000% *  0.0888% (0.18   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ARG+  54  25.62 +/- 0.62   0.000% *  0.1465% (0.29   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASP-  62  23.11 +/- 0.76   0.000% *  0.0711% (0.14   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ASP-  62  23.23 +/- 0.60   0.000% *  0.0274% (0.05   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASP-  62  23.00 +/- 0.39   0.000% *  0.0156% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 4.09, residual support = 84.7:
      O   HB2   TRP   49 - HN    TRP   49   3.63 +/- 0.04  99.896% * 98.1258% (0.98   4.09  84.72) = 100.000%  kept
          HA2   GLY  109 - HN    TRP   49  12.41 +/- 0.56   0.065% *  0.4387% (0.90   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    TRP   49  13.69 +/- 0.39   0.036% *  0.4848% (0.99   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    TRP   49  22.70 +/- 0.34   0.002% *  0.4627% (0.95   0.02   0.02) =   0.000%
          HA    THR  118 - HN    TRP   49  23.83 +/- 0.38   0.001% *  0.4880% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1001 (0.37, 11.10, 134.86 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.68, residual support = 16.9:
          QB    ALA   47 - HE1   TRP   49   2.21 +/- 0.11  99.997% * 98.6334% (1.00   2.68  16.92) = 100.000%  kept
          HG2   LYS+ 112 - HE1   TRP   49  14.27 +/- 0.47   0.001% *  0.5075% (0.69   0.02   0.02) =   0.000%
          QG1   VAL   42 - HE1   TRP   49  15.47 +/- 0.30   0.001% *  0.7130% (0.97   0.02   0.02) =   0.000%
          QB    ALA   64 - HE1   TRP   49  16.66 +/- 0.44   0.001% *  0.1462% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1002 (0.37, 6.63, 116.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 3.93, residual support = 16.9:
          QB    ALA   47 - HN    TRP   49   2.51 +/- 0.15  99.995% * 99.0664% (1.00   3.93  16.92) = 100.000%  kept
          QG1   VAL   42 - HN    TRP   49  15.63 +/- 0.33   0.002% *  0.4870% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    TRP   49  16.16 +/- 0.45   0.001% *  0.3467% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    TRP   49  15.92 +/- 0.43   0.002% *  0.0999% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 0.881, support = 0.186, residual support = 0.0197:
          HB2   CYS   53 - HN    ALA   47   4.73 +/- 0.53  73.944% * 73.1201% (0.90   0.19   0.02) =  98.287%  kept
          HD3   PRO   52 - HN    ALA   47   5.73 +/- 0.14  25.527% *  3.5514% (0.41   0.02   0.02) =   1.648%
          HD2   PRO   58 - HN    ALA   47  11.01 +/- 0.44   0.460% *  6.9171% (0.80   0.02   0.02) =   0.058%
          HA    VAL   83 - HN    ALA   47  15.92 +/- 0.44   0.057% *  6.2728% (0.73   0.02   0.02) =   0.007%
          HA    GLN   30 - HN    ALA   47  21.47 +/- 0.31   0.009% *  4.2048% (0.49   0.02   0.02) =   0.001%
          HA    GLU- 100 - HN    ALA   47  26.61 +/- 0.44   0.003% *  5.9338% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 10 structures by 0.27 A, eliminated.
    Peak unassigned.
 
    Peak 1004 (2.28, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 3.03, residual support = 35.4:
      O   HB2   ASP-  44 - HN    ASP-  44   2.44 +/- 0.28  98.221% * 96.4608% (0.87   3.03  35.37) =  99.989%  kept
          HB3   PHE   72 - HN    ASP-  44   5.55 +/- 0.93   1.755% *  0.5611% (0.76   0.02   0.02) =   0.010%
          QG    GLN   90 - HN    ASP-  44  11.99 +/- 0.67   0.009% *  0.5043% (0.69   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP-  44  13.65 +/- 1.28   0.005% *  0.6945% (0.95   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  44  15.55 +/- 1.13   0.002% *  0.6132% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  44  13.59 +/- 0.66   0.004% *  0.2504% (0.34   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ASP-  44  13.60 +/- 0.69   0.004% *  0.1286% (0.18   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ASP-  44  22.71 +/- 2.73   0.000% *  0.6584% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP-  44  20.42 +/- 0.73   0.000% *  0.1286% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 0.807, support = 0.0186, residual support = 2.29:
          HB2   LEU   73 - HN    ASP-  44   5.15 +/- 0.70  89.290% * 13.8924% (0.87   0.02   2.46) =  93.030%  kept
          QG1   ILE   56 - HN    ASP-  44   9.06 +/- 0.27   3.837% *  9.7139% (0.61   0.02   0.02) =   2.795%
          QD    LYS+ 106 - HN    ASP-  44  11.47 +/- 1.25   1.799% * 15.6984% (0.98   0.02   0.02) =   2.119%
          HG3   PRO   93 - HN    ASP-  44  10.58 +/- 0.30   1.521% *  4.9432% (0.31   0.02   0.02) =   0.564%
          HB3   MET   92 - HN    ASP-  44  12.26 +/- 0.40   0.580% * 11.6297% (0.73   0.02   0.02) =   0.506%
          HB    ILE   89 - HN    ASP-  44   9.94 +/- 0.37   2.193% *  2.4711% (0.15   0.02   0.02) =   0.406%
          QD    LYS+  99 - HN    ASP-  44  14.01 +/- 0.66   0.266% * 15.8738% (0.99   0.02   0.02) =   0.316%
          HB3   LYS+  99 - HN    ASP-  44  13.76 +/- 0.50   0.297% *  7.7956% (0.49   0.02   0.02) =   0.174%
          HD2   LYS+ 111 - HN    ASP-  44  17.51 +/- 0.26   0.071% *  9.7139% (0.61   0.02   0.02) =   0.051%
          QD    LYS+ 102 - HN    ASP-  44  16.58 +/- 1.07   0.106% *  2.8048% (0.18   0.02   0.02) =   0.022%
          HB2   LEU  123 - HN    ASP-  44  19.26 +/- 0.53   0.041% *  5.4630% (0.34   0.02   0.02) =   0.017%
    Distance limit 4.84 A violated in 10 structures by 0.43 A, eliminated.
    Peak unassigned.
 
    Peak 1006 (1.51, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.536, support = 0.0186, residual support = 0.218:
          HB2   LYS+  74 - HN    ASP-  44   5.81 +/- 0.43  61.529% * 11.2006% (0.65   0.02   0.23) =  75.248%  kept
          HD3   LYS+  74 - HN    ASP-  44   6.43 +/- 0.40  33.938% *  4.8140% (0.28   0.02   0.23) =  17.839%  kept
          QG2   THR   26 - HN    ASP-  44  10.13 +/- 0.60   2.531% * 15.5278% (0.90   0.02   0.02) =   4.292%
          HG2   LYS+  65 - HN    ASP-  44  12.84 +/- 0.76   0.616% * 16.3785% (0.95   0.02   0.02) =   1.101%
          QD    LYS+  66 - HN    ASP-  44  14.11 +/- 0.93   0.334% * 15.5278% (0.90   0.02   0.02) =   0.567%
          HD2   LYS+ 121 - HN    ASP-  44  15.55 +/- 0.68   0.183% * 16.9713% (0.98   0.02   0.02) =   0.340%
          HG    LEU  104 - HN    ASP-  44  14.07 +/- 0.56   0.327% *  7.1180% (0.41   0.02   0.02) =   0.254%
          HB3   LYS+ 111 - HN    ASP-  44  14.10 +/- 0.30   0.316% *  5.3440% (0.31   0.02   0.02) =   0.184%
          HB3   LYS+ 121 - HN    ASP-  44  14.95 +/- 0.54   0.225% *  7.1180% (0.41   0.02   0.02) =   0.175%
    Distance limit 4.99 A violated in 15 structures by 0.42 A, eliminated.
    Peak unassigned.
 
    Peak 1007 (1.35, 8.78, 123.55 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 3.37, residual support = 35.4:
      O   HB3   ASP-  44 - HN    ASP-  44   3.26 +/- 0.13  98.644% * 95.3667% (0.99   3.37  35.37) =  99.993%  kept
          HB2   LEU   63 - HN    ASP-  44   8.12 +/- 0.65   0.480% *  0.5404% (0.95   0.02   0.02) =   0.003%
          HB3   PRO   93 - HN    ASP-  44   8.28 +/- 0.37   0.395% *  0.4772% (0.84   0.02   0.02) =   0.002%
          QB    ALA   84 - HN    ASP-  44   9.17 +/- 0.24   0.208% *  0.4956% (0.87   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    ASP-  44  10.91 +/- 1.17   0.096% *  0.5404% (0.95   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    ASP-  44  10.92 +/- 0.89   0.077% *  0.4956% (0.87   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ASP-  44  13.29 +/- 0.59   0.023% *  0.4149% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP-  44  12.14 +/- 1.02   0.047% *  0.1588% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ASP-  44  15.71 +/- 0.30   0.008% *  0.3696% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  44  15.49 +/- 0.30   0.009% *  0.2144% (0.38   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  44  18.75 +/- 0.57   0.003% *  0.5663% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ASP-  44  17.30 +/- 0.27   0.005% *  0.1131% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  44  19.42 +/- 0.35   0.002% *  0.1588% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP-  44  18.60 +/- 0.56   0.003% *  0.0882% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1008 (0.75, 8.78, 123.55 ppm):
    7 chemical-shift based assignments, quality = 0.896, support = 4.18, residual support = 15.6:
          QG1   VAL   43 - HN    ASP-  44   4.07 +/- 0.38  78.621% * 97.7683% (0.90   4.19  15.63) =  99.859%  kept
          QG2   VAL   18 - HN    ASP-  44   5.81 +/- 0.83  12.381% *  0.5198% (1.00   0.02   0.02) =   0.084%
          QG2   THR   46 - HN    ASP-  44   6.33 +/- 0.58   7.577% *  0.5164% (0.99   0.02   0.02) =   0.051%
          QG1   VAL   41 - HN    ASP-  44   9.21 +/- 0.27   0.651% *  0.3783% (0.73   0.02   0.02) =   0.003%
          QD1   ILE   19 - HN    ASP-  44   9.66 +/- 0.30   0.475% *  0.3981% (0.76   0.02   0.02) =   0.002%
          QD2   LEU  104 - HN    ASP-  44  13.23 +/- 0.46   0.076% *  0.3160% (0.61   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    ASP-  44  11.30 +/- 0.78   0.219% *  0.1031% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 0.647, support = 3.7, residual support = 15.6:
          QG2   VAL   43 - HN    ASP-  44   2.80 +/- 0.27  99.294% * 99.0016% (0.65   3.70  15.63) =  99.998%  kept
          QD2   LEU   31 - HN    ASP-  44   8.20 +/- 0.45   0.200% *  0.6315% (0.76   0.02   0.02) =   0.001%
          QD1   ILE   89 - HN    ASP-  44   7.26 +/- 0.13   0.385% *  0.1118% (0.14   0.02   0.02) =   0.000%
          QG2   VAL   83 - HN    ASP-  44   8.81 +/- 0.49   0.120% *  0.2551% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1010 (4.84, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.516, support = 0.0196, residual support = 0.0196:
          HA    PHE   45 - HN    VAL   43   7.75 +/- 0.08  97.556% * 36.5033% (0.53   0.02   0.02) =  98.073%  kept
          HA    ASP-  78 - HN    VAL   43  17.09 +/- 0.12   0.852% * 42.0822% (0.61   0.02   0.02) =   0.988%
          HA    THR   23 - HN    VAL   43  15.42 +/- 0.33   1.591% * 21.4145% (0.31   0.02   0.02) =   0.939%
    Distance limit 4.84 A violated in 20 structures by 2.91 A, eliminated.
    Peak unassigned.
 
    Peak 1011 (5.33, 9.16, 125.94 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 1.5, residual support = 16.4:
          HA    MET   96 - HN    VAL   43   4.50 +/- 0.08 100.000% *100.0000% (0.53   1.50  16.41) = 100.000%  kept
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1012 (2.21, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 2.96, residual support = 16.4:
          HB2   MET   96 - HN    VAL   43   3.23 +/- 0.49  99.083% * 97.4132% (0.97   2.96  16.41) =  99.996%  kept
          HB    VAL   70 - HN    VAL   43   8.61 +/- 0.33   0.512% *  0.6123% (0.90   0.02   0.02) =   0.003%
          HB2   ASP- 105 - HN    VAL   43   9.03 +/- 0.29   0.322% *  0.1898% (0.28   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    VAL   43  13.24 +/- 0.62   0.034% *  0.5702% (0.84   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    VAL   43  13.75 +/- 0.54   0.025% *  0.3323% (0.49   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    VAL   43  14.42 +/- 0.50   0.019% *  0.3865% (0.57   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   43  17.68 +/- 0.38   0.005% *  0.4957% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1013 (1.76, 9.16, 125.94 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.24, residual support = 61.1:
      O   HB    VAL   43 - HN    VAL   43   2.73 +/- 0.11  99.934% * 98.9809% (0.87   4.24  61.11) = 100.000%  kept
          HB2   LYS+  99 - HN    VAL   43  10.64 +/- 0.64   0.031% *  0.4111% (0.76   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    VAL   43  10.77 +/- 0.34   0.028% *  0.0942% (0.18   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    VAL   43  16.65 +/- 0.39   0.002% *  0.4307% (0.80   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   43  14.78 +/- 0.37   0.004% *  0.0830% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 0.834, support = 5.62, residual support = 40.8:
          HB    VAL   42 - HN    VAL   43   4.38 +/- 0.08  60.825% * 96.5175% (0.84   5.62  40.83) =  99.887%  kept
          HB3   LEU   73 - HN    VAL   43   6.84 +/- 0.79   5.812% *  0.3686% (0.90   0.02   9.57) =   0.036%
          HB3   ASP-  44 - HN    VAL   43   5.53 +/- 0.40  16.241% *  0.1025% (0.25   0.02  15.63) =   0.028%
          HG    LEU   98 - HN    VAL   43   6.92 +/- 1.18   6.757% *  0.2001% (0.49   0.02   0.02) =   0.023%
          HG3   LYS+ 106 - HN    VAL   43   8.62 +/- 1.00   1.585% *  0.4101% (1.00   0.02   0.02) =   0.011%
          QB    LEU   98 - HN    VAL   43   6.41 +/- 0.32   6.679% *  0.0720% (0.18   0.02   0.02) =   0.008%
          HB3   PRO   93 - HN    VAL   43  10.23 +/- 0.28   0.380% *  0.2659% (0.65   0.02   0.02) =   0.002%
          QB    ALA   84 - HN    VAL   43  10.26 +/- 0.19   0.372% *  0.2493% (0.61   0.02   0.02) =   0.002%
          HB2   LEU   63 - HN    VAL   43   8.57 +/- 0.51   1.155% *  0.0720% (0.18   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    VAL   43  14.44 +/- 0.54   0.049% *  0.3794% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    VAL   43  13.97 +/- 0.33   0.059% *  0.3141% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   43  14.59 +/- 0.93   0.048% *  0.3433% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   43  17.79 +/- 0.20   0.014% *  0.3967% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    VAL   43  17.29 +/- 0.43   0.016% *  0.1543% (0.38   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   43  20.03 +/- 1.65   0.008% *  0.1543% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1015 (0.75, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 5.35, residual support = 61.1:
          QG1   VAL   43 - HN    VAL   43   2.72 +/- 0.24  99.026% * 98.2456% (0.90   5.35  61.11) =  99.997%  kept
          QG1   VAL   41 - HN    VAL   43   6.56 +/- 0.32   0.569% *  0.2974% (0.73   0.02   2.98) =   0.002%
          QG2   VAL   18 - HN    VAL   43   8.17 +/- 0.96   0.217% *  0.4086% (1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    VAL   43   9.65 +/- 0.60   0.057% *  0.4059% (0.99   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   43   9.72 +/- 0.46   0.053% *  0.2484% (0.61   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    VAL   43  10.71 +/- 0.40   0.031% *  0.3130% (0.76   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   43   9.98 +/- 0.68   0.048% *  0.0810% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1016 (0.56, 9.16, 125.94 ppm):
    8 chemical-shift based assignments, quality = 0.722, support = 2.8, residual support = 2.96:
          QG2   VAL   41 - HN    VAL   43   4.53 +/- 0.26  47.860% * 96.9076% (0.73   2.81   2.98) =  99.442%  kept
          QD2   LEU   98 - HN    VAL   43   5.13 +/- 1.11  34.727% *  0.4993% (0.53   0.02   0.02) =   0.372%
          QD1   LEU   63 - HN    VAL   43   6.14 +/- 0.47   8.365% *  0.4255% (0.45   0.02   0.02) =   0.076%
          QD2   LEU   63 - HN    VAL   43   7.49 +/- 0.76   2.718% *  0.9302% (0.98   0.02   0.02) =   0.054%
          QD1   LEU   73 - HN    VAL   43   6.45 +/- 0.36   5.522% *  0.4255% (0.45   0.02   9.57) =   0.050%
          QD1   LEU   80 - HN    VAL   43  10.87 +/- 1.46   0.335% *  0.4993% (0.53   0.02   0.02) =   0.004%
          QD2   LEU   80 - HN    VAL   43  10.97 +/- 0.94   0.260% *  0.1464% (0.15   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    VAL   43  11.12 +/- 0.49   0.214% *  0.1662% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.58 A violated in 6 structures by 0.08 A, kept.
 
    Peak 1017 (0.37, 9.16, 125.94 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.17, residual support = 40.8:
          QG1   VAL   42 - HN    VAL   43   2.70 +/- 0.20  99.801% * 99.2514% (0.97   5.17  40.83) = 100.000%  kept
          QB    ALA   64 - HN    VAL   43   7.80 +/- 0.22   0.187% *  0.0787% (0.20   0.02   0.02) =   0.000%
          QB    ALA   47 - HN    VAL   43  12.77 +/- 0.09   0.010% *  0.3968% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   43  15.70 +/- 0.28   0.003% *  0.2731% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 0.84, support = 0.02, residual support = 0.02:
          QD1   ILE   89 - HN    VAL   43   7.07 +/- 0.25  41.613% * 34.1913% (0.90   0.02   0.02) =  45.079%  kept
          QD2   LEU   31 - HN    VAL   43   6.93 +/- 0.45  47.177% * 27.6841% (0.73   0.02   0.02) =  41.380%  kept
          QG2   VAL   83 - HN    VAL   43   8.83 +/- 0.48  11.210% * 38.1246% (1.00   0.02   0.02) =  13.541%  kept
    Distance limit 4.28 A violated in 20 structures by 1.80 A, eliminated.
    Peak unassigned.
 
    Peak 1019 (1.83, 8.95, 126.35 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.32, residual support = 23.8:
          HB    VAL   41 - HN    VAL   42   4.31 +/- 0.11  69.712% * 97.8058% (0.97   5.32  23.85) =  99.959%  kept
          HB2   LEU   71 - HN    VAL   42   5.15 +/- 0.66  28.178% *  0.0848% (0.22   0.02   0.94) =   0.035%
          HG12  ILE  103 - HN    VAL   42  10.22 +/- 0.59   0.411% *  0.3811% (1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HN    VAL   42  10.60 +/- 0.36   0.327% *  0.3183% (0.84   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    VAL   42   9.27 +/- 0.33   0.718% *  0.0588% (0.15   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HN    VAL   42  11.59 +/- 0.52   0.196% *  0.1300% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   42  11.96 +/- 0.23   0.155% *  0.0950% (0.25   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    VAL   42  12.01 +/- 0.15   0.150% *  0.0754% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL   42  12.81 +/- 0.32   0.102% *  0.0848% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   42  16.14 +/- 0.33   0.026% *  0.2157% (0.57   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   42  17.82 +/- 0.63   0.015% *  0.3417% (0.90   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   42  20.98 +/- 0.18   0.005% *  0.3417% (0.90   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL   42  21.16 +/- 0.50   0.005% *  0.0667% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1020 (1.38, 8.95, 126.35 ppm):
    15 chemical-shift based assignments, quality = 0.98, support = 5.59, residual support = 88.3:
      O   HB    VAL   42 - HN    VAL   42   2.45 +/- 0.10  99.010% * 97.0932% (0.98   5.59  88.32) =  99.998%  kept
          HB3   LEU   73 - HN    VAL   42   6.65 +/- 0.64   0.326% *  0.3354% (0.95   0.02   1.86) =   0.001%
          QB    LEU   98 - HN    VAL   42   6.18 +/- 0.24   0.417% *  0.2007% (0.57   0.02   0.51) =   0.001%
          HG    LEU   98 - HN    VAL   42   7.54 +/- 0.85   0.180% *  0.0480% (0.14   0.02   0.51) =   0.000%
          HG3   LYS+  33 - HN    VAL   42  10.50 +/- 0.41   0.017% *  0.3538% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    VAL   42  11.29 +/- 0.84   0.013% *  0.2710% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   42  13.36 +/- 0.85   0.004% *  0.3476% (0.98   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    VAL   42  11.09 +/- 0.38   0.012% *  0.1094% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    VAL   42  14.21 +/- 0.64   0.003% *  0.3273% (0.92   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   42  12.36 +/- 0.69   0.006% *  0.0986% (0.28   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   42  17.15 +/- 1.53   0.001% *  0.2962% (0.84   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   42  13.05 +/- 0.20   0.005% *  0.0702% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    VAL   42  13.96 +/- 0.33   0.003% *  0.0789% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   42  14.74 +/- 0.76   0.002% *  0.0621% (0.18   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   42  20.91 +/- 0.25   0.000% *  0.3076% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1021 (0.91, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.27, residual support = 2.04:
          QD1   LEU   40 - HN    VAL   42   4.63 +/- 0.06  96.046% * 97.9819% (0.98   1.28   2.04) =  99.948%  kept
          QD2   LEU   67 - HN    VAL   42   7.94 +/- 0.34   3.870% *  1.2551% (0.80   0.02   0.02) =   0.052%
          QG1   VAL  108 - HN    VAL   42  15.00 +/- 0.39   0.084% *  0.7630% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1022 (0.75, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.838, support = 4.95, residual support = 34.9:
          QG1   VAL   43 - HN    VAL   42   4.05 +/- 0.88  61.964% * 50.9579% (0.90   4.68  40.83) =  65.360%  kept
          QG1   VAL   41 - HN    VAL   42   4.36 +/- 0.08  34.722% * 48.1789% (0.73   5.47  23.85) =  34.627%  kept
          QG2   VAL   18 - HN    VAL   42   7.64 +/- 0.96   1.667% *  0.2421% (1.00   0.02   0.02) =   0.008%
          QD1   ILE   19 - HN    VAL   42   8.64 +/- 0.52   0.661% *  0.1854% (0.76   0.02   0.02) =   0.003%
          QD2   LEU  104 - HN    VAL   42   9.18 +/- 0.54   0.409% *  0.1472% (0.61   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    VAL   42   9.26 +/- 0.92   0.491% *  0.0480% (0.20   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   42  11.90 +/- 0.60   0.085% *  0.2405% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1023 (0.56, 8.95, 126.35 ppm):
    8 chemical-shift based assignments, quality = 0.726, support = 6.34, residual support = 23.8:
          QG2   VAL   41 - HN    VAL   42   3.05 +/- 0.12  92.909% * 98.6036% (0.73   6.34  23.85) =  99.983%  kept
          QD2   LEU   98 - HN    VAL   42   5.76 +/- 0.75   2.843% *  0.2255% (0.53   0.02   0.51) =   0.007%
          QD1   LEU   73 - HN    VAL   42   5.43 +/- 0.24   3.106% *  0.1921% (0.45   0.02   1.86) =   0.007%
          QD2   LEU   63 - HN    VAL   42   7.77 +/- 1.02   0.493% *  0.4200% (0.98   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    VAL   42   7.29 +/- 0.53   0.577% *  0.1921% (0.45   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    VAL   42  12.17 +/- 1.43   0.030% *  0.2255% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   42  12.14 +/- 0.92   0.026% *  0.0661% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   42  12.99 +/- 0.55   0.016% *  0.0750% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1024 (0.36, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.47, residual support = 88.3:
          QG1   VAL   42 - HN    VAL   42   3.72 +/- 0.06  99.977% * 99.2621% (0.87   5.47  88.32) = 100.000%  kept
          QB    ALA   47 - HN    VAL   42  15.86 +/- 0.07   0.017% *  0.3200% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   42  18.71 +/- 0.35   0.006% *  0.4178% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.64 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 = 0.583, support = 5.15, residual support = 84.0:
          QG2   VAL   42 - HN    VAL   42   2.93 +/- 0.20  49.910% * 94.7363% (0.61   5.36  88.32) =  94.981%  kept
          QG2   VAL   70 - HN    VAL   42   2.94 +/- 0.20  49.938% *  5.0024% (0.14   1.27   1.25) =   5.018%  kept
          QG2   VAL   75 - HN    VAL   42   7.67 +/- 0.21   0.152% *  0.2613% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1026 (1.82, 9.02, 128.16 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 4.37, residual support = 70.4:
      O   HB    VAL   41 - HN    VAL   41   2.81 +/- 0.36  98.700% * 97.1058% (0.90   4.37  70.40) =  99.995%  kept
          HB2   LEU   71 - HN    VAL   41   7.12 +/- 0.58   0.671% *  0.3002% (0.61   0.02   0.02) =   0.002%
          HG12  ILE  103 - HN    VAL   41   8.09 +/- 0.71   0.398% *  0.3783% (0.76   0.02   0.02) =   0.002%
          QB    LYS+ 102 - HN    VAL   41   8.13 +/- 0.62   0.199% *  0.3783% (0.76   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    VAL   41  12.27 +/- 0.33   0.019% *  0.4906% (0.99   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   41  14.66 +/- 0.16   0.006% *  0.3202% (0.65   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   41  18.79 +/- 0.28   0.001% *  0.4683% (0.95   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   41  18.46 +/- 0.61   0.002% *  0.2409% (0.49   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   41  15.98 +/- 0.55   0.004% *  0.0764% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   41  23.79 +/- 0.20   0.000% *  0.2409% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1027 (1.43, 9.02, 128.16 ppm):
    13 chemical-shift based assignments, quality = 0.175, support = 4.04, residual support = 18.5:
          HG    LEU   40 - HN    VAL   41   3.34 +/- 0.51  97.948% * 81.6379% (0.18   4.04  18.47) =  99.961%  kept
          HG    LEU   73 - HN    VAL   41   8.16 +/- 1.37   1.154% *  1.3996% (0.61   0.02   0.02) =   0.020%
          HB3   LEU   67 - HN    VAL   41   8.86 +/- 0.54   0.382% *  2.1829% (0.95   0.02   0.02) =   0.010%
          HG2   LYS+ 102 - HN    VAL   41   9.76 +/- 0.98   0.251% *  1.1232% (0.49   0.02   0.02) =   0.004%
          HG12  ILE   19 - HN    VAL   41  12.37 +/- 0.86   0.065% *  2.0695% (0.90   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HN    VAL   41  11.18 +/- 0.70   0.101% *  0.7871% (0.34   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    VAL   41  13.90 +/- 0.70   0.027% *  1.8478% (0.80   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    VAL   41  14.80 +/- 0.22   0.017% *  2.3025% (1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    VAL   41  16.67 +/- 0.95   0.010% *  2.2270% (0.97   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    VAL   41  17.08 +/- 0.32   0.007% *  2.1829% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    VAL   41  15.01 +/- 0.44   0.017% *  0.7122% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   41  16.85 +/- 0.76   0.008% *  1.1232% (0.49   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    VAL   41  15.81 +/- 0.65   0.012% *  0.4041% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 6 structures by 0.05 A, kept.
 
    Peak 1028 (1.28, 9.02, 128.16 ppm):
    7 chemical-shift based assignments, quality = 0.846, support = 1.46, residual support = 8.56:
          QB    ALA   34 - HN    VAL   41   4.38 +/- 0.23  77.545% * 73.5704% (0.90   1.46   9.31) =  91.779%  kept
          QG2   THR   39 - HN    VAL   41   5.44 +/- 0.20  21.884% * 23.3359% (0.28   1.49   0.12) =   8.216%  kept
          HG3   LYS+  38 - HN    VAL   41  10.50 +/- 0.41   0.428% *  0.5932% (0.53   0.02   0.02) =   0.004%
          QG2   ILE   56 - HN    VAL   41  14.39 +/- 0.27   0.063% *  0.8187% (0.73   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    VAL   41  17.24 +/- 0.53   0.021% *  1.1174% (0.99   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    VAL   41  15.23 +/- 0.20   0.044% *  0.2510% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    VAL   41  18.58 +/- 0.83   0.014% *  0.3135% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1029 (0.98, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 4.73, residual support = 18.5:
          QD2   LEU   40 - HN    VAL   41   2.15 +/- 0.33  99.684% * 97.8543% (0.92   4.73  18.47) =  99.999%  kept
          QD1   LEU   67 - HN    VAL   41   6.72 +/- 0.31   0.162% *  0.4237% (0.95   0.02   0.02) =   0.001%
          QG2   ILE  103 - HN    VAL   41   7.76 +/- 0.25   0.059% *  0.4440% (0.99   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    VAL   41   8.09 +/- 0.63   0.053% *  0.2357% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    VAL   41   8.35 +/- 0.30   0.037% *  0.2898% (0.65   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    VAL   41  13.23 +/- 0.37   0.002% *  0.1528% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    VAL   41  15.98 +/- 0.64   0.001% *  0.4470% (1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    VAL   41  14.55 +/- 0.23   0.001% *  0.1528% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1030 (0.76, 9.02, 128.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.25, residual support = 70.4:
          QG1   VAL   41 - HN    VAL   41   2.30 +/- 0.20  98.867% * 98.0869% (1.00   4.25  70.40) =  99.997%  kept
          QG1   VAL   43 - HN    VAL   41   6.07 +/- 0.81   0.370% *  0.4370% (0.95   0.02   2.98) =   0.002%
          QD2   LEU  104 - HN    VAL   41   6.15 +/- 0.56   0.569% *  0.0914% (0.20   0.02   0.02) =   0.001%
          QD2   LEU   73 - HN    VAL   41   6.88 +/- 0.33   0.150% *  0.2071% (0.45   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   41   9.58 +/- 0.64   0.024% *  0.2802% (0.61   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    VAL   41  11.10 +/- 0.95   0.009% *  0.3531% (0.76   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    VAL   41  11.01 +/- 0.66   0.009% *  0.1426% (0.31   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   41  14.95 +/- 0.60   0.001% *  0.2989% (0.65   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    VAL   41  15.98 +/- 0.26   0.001% *  0.1029% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 0.704, support = 4.16, residual support = 66.2:
          QG2   VAL   41 - HN    VAL   41   3.74 +/- 0.20  74.370% * 70.8184% (0.73   4.38  70.40) =  88.896%  kept
          QD2   LEU   98 - HN    VAL   41   4.64 +/- 0.45  23.508% * 27.9642% (0.53   2.39  32.33) =  11.096%  kept
          QD1   LEU   73 - HN    VAL   41   7.37 +/- 0.36   1.281% *  0.1998% (0.45   0.02   0.02) =   0.004%
          QD2   LEU   63 - HN    VAL   41   9.33 +/- 1.09   0.422% *  0.4367% (0.98   0.02   0.02) =   0.003%
          QD1   LEU   63 - HN    VAL   41   9.30 +/- 0.44   0.334% *  0.1998% (0.45   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    VAL   41  14.16 +/- 1.40   0.030% *  0.2344% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   41  13.91 +/- 0.86   0.030% *  0.0687% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   41  14.47 +/- 0.47   0.023% *  0.0780% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1032 (0.21, 9.02, 128.16 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 2.72, residual support = 2.72:
          QG2   VAL   70 - HN    VAL   41   3.92 +/- 0.15  99.514% * 98.4489% (0.18   2.72   2.72) =  99.992%  kept
          QG2   THR  118 - HN    VAL   41   9.59 +/- 0.23   0.486% *  1.5511% (0.38   0.02   0.02) =   0.008%
    Distance limit 5.15 A violated in 0 structures by 0.00 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1033 (4.04, 8.88, 128.13 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 1.5, residual support = 32.9:
          HA    VAL   70 - HN    LEU   40   3.76 +/- 0.30  97.523% * 90.5299% (0.28   1.50  32.89) =  99.888%  kept
          HB2   SER   37 - HN    LEU   40   7.24 +/- 0.53   2.346% *  4.0076% (0.92   0.02   0.02) =   0.106%
          HA1   GLY   16 - HN    LEU   40  11.62 +/- 0.75   0.125% *  4.2554% (0.98   0.02   0.02) =   0.006%
          HA    GLN  116 - HN    LEU   40  19.80 +/- 0.42   0.005% *  1.2071% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1034 (3.84, 8.88, 128.13 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 3.99, residual support = 24.2:
          HB    THR   39 - HN    LEU   40   3.85 +/- 0.09  95.463% * 95.0648% (0.41   3.99  24.25) =  99.983%  kept
          HB3   SER   37 - HN    LEU   40   6.55 +/- 0.54   4.382% *  0.3220% (0.28   0.02   0.02) =   0.016%
          HA    GLN   30 - HN    LEU   40  11.83 +/- 0.47   0.118% *  1.0956% (0.95   0.02   0.02) =   0.001%
          QB    SER   13 - HN    LEU   40  15.27 +/- 1.39   0.029% *  0.5193% (0.45   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LEU   40  23.97 +/- 0.73   0.002% *  0.8852% (0.76   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   40  23.27 +/- 0.38   0.002% *  0.6557% (0.57   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   40  21.59 +/- 0.33   0.003% *  0.3220% (0.28   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   40  27.72 +/- 0.25   0.001% *  1.1353% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.79 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 = 0.566, support = 1.36, residual support = 14.1:
          QE    LYS+  99 - HN    LEU   40   3.36 +/- 0.87  99.082% * 91.9796% (0.57   1.36  14.08) =  99.986%  kept
          HB2   PHE   97 - HN    LEU   40   9.65 +/- 0.32   0.366% *  2.3107% (0.97   0.02   3.45) =   0.009%
          QE    LYS+  38 - HN    LEU   40   9.40 +/- 0.45   0.429% *  0.7390% (0.31   0.02   0.02) =   0.003%
          HB3   TRP   27 - HN    LEU   40  15.92 +/- 0.42   0.019% *  2.3470% (0.98   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    LEU   40  15.02 +/- 0.81   0.029% *  1.3556% (0.57   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    LEU   40  13.10 +/- 0.50   0.058% *  0.3694% (0.15   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    LEU   40  16.02 +/- 0.51   0.018% *  0.8986% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1036 (1.93, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.08, residual support = 107.1:
      O   HB2   LEU   40 - HN    LEU   40   2.28 +/- 0.22  99.993% * 98.9144% (0.97   5.08 107.07) = 100.000%  kept
          HB3   MET   96 - HN    LEU   40  13.52 +/- 0.43   0.003% *  0.3726% (0.92   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   40  15.20 +/- 1.25   0.001% *  0.2611% (0.65   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU   40  13.82 +/- 1.23   0.003% *  0.0899% (0.22   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   40  21.58 +/- 2.12   0.000% *  0.1810% (0.45   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   40  27.28 +/- 0.38   0.000% *  0.1810% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1037 (1.46, 8.88, 128.13 ppm):
    10 chemical-shift based assignments, quality = 0.642, support = 4.82, residual support = 107.1:
      O   HB3   LEU   40 - HN    LEU   40   2.64 +/- 0.23  93.263% * 34.2438% (0.61   4.69 107.07) =  88.786%  kept
          HG    LEU   40 - HN    LEU   40   4.21 +/- 0.06   6.248% * 64.5474% (0.92   5.81 107.07) =  11.212%  kept
          HG    LEU   67 - HN    LEU   40   8.19 +/- 1.11   0.163% *  0.2360% (0.98   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LEU   40   7.42 +/- 1.04   0.271% *  0.0371% (0.15   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   40  10.47 +/- 1.02   0.031% *  0.1079% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   40  12.14 +/- 0.84   0.012% *  0.1363% (0.57   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   40  12.93 +/- 0.76   0.008% *  0.0669% (0.28   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   40  15.43 +/- 0.40   0.003% *  0.2011% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   40  18.09 +/- 0.74   0.001% *  0.2223% (0.92   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   40  19.29 +/- 1.27   0.001% *  0.2011% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.278, support = 3.76, residual support = 24.2:
          QG2   THR   39 - HN    LEU   40   2.38 +/- 0.30  98.491% * 93.4891% (0.28   3.76  24.25) =  99.974%  kept
          QB    ALA   34 - HN    LEU   40   5.05 +/- 0.24   1.450% *  1.6038% (0.90   0.02   0.02) =   0.025%
          HG3   LYS+  38 - HN    LEU   40   8.73 +/- 0.20   0.056% *  0.9408% (0.53   0.02   0.02) =   0.001%
          QG2   ILE   56 - HN    LEU   40  16.47 +/- 0.31   0.001% *  1.2985% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    LEU   40  19.32 +/- 0.47   0.000% *  1.7724% (0.99   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LEU   40  18.37 +/- 0.20   0.001% *  0.3981% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   40  21.98 +/- 0.78   0.000% *  0.4972% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1039 (0.85, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 1.5, residual support = 32.9:
          QG1   VAL   70 - HN    LEU   40   3.54 +/- 0.38  97.504% * 94.1973% (0.84   1.50  32.89) =  99.962%  kept
          QD1   LEU   71 - HN    LEU   40   7.23 +/- 0.40   1.812% *  1.4739% (0.98   0.02   0.02) =   0.029%
          HB3   LEU  104 - HN    LEU   40   8.94 +/- 0.28   0.456% *  1.3881% (0.92   0.02   0.02) =   0.007%
          QG1   VAL   18 - HN    LEU   40  11.57 +/- 0.52   0.090% *  1.0919% (0.73   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    LEU   40  13.65 +/- 0.58   0.035% *  1.4739% (0.98   0.02   0.02) =   0.001%
          HB3   LEU   63 - HN    LEU   40  11.59 +/- 0.95   0.103% *  0.3749% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1040 (0.97, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.526, support = 5.16, residual support = 107.0:
          QD2   LEU   40 - HN    LEU   40   4.17 +/- 0.10  89.444% * 96.6387% (0.53   5.16 107.07) =  99.939%  kept
          QD1   LEU   67 - HN    LEU   40   6.45 +/- 0.30   6.986% *  0.4031% (0.57   0.02   0.02) =   0.033%
          QD2   LEU   71 - HN    LEU   40   7.44 +/- 0.49   3.037% *  0.6978% (0.98   0.02   0.02) =   0.025%
          QG2   ILE  103 - HN    LEU   40  10.99 +/- 0.32   0.273% *  0.4890% (0.69   0.02   0.02) =   0.002%
          QD1   ILE  103 - HN    LEU   40  11.70 +/- 0.70   0.199% *  0.6572% (0.92   0.02   0.02) =   0.002%
          QG2   ILE  119 - HN    LEU   40  14.76 +/- 0.37   0.047% *  0.5441% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU   40  17.95 +/- 0.69   0.015% *  0.5701% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1041 (0.20, 8.88, 128.13 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 5.98, residual support = 32.9:
          QG2   VAL   70 - HN    LEU   40   3.30 +/- 0.30 100.000% *100.0000% (0.57   5.98  32.89) = 100.000%  kept
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1042 (4.11, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.223, support = 2.0, residual support = 7.75:
          HA    ALA   34 - HN    THR   39   2.85 +/- 0.29  98.961% * 83.8885% (0.22   2.00   7.75) =  99.963%  kept
          HA    GLU-  36 - HN    THR   39   6.29 +/- 0.12   1.022% *  3.0172% (0.80   0.02   0.02) =   0.037%
          HA    ASN   28 - HN    THR   39  12.53 +/- 0.23   0.015% *  1.4142% (0.38   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    THR   39  20.24 +/- 1.12   0.001% *  3.6364% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    THR   39  24.18 +/- 0.31   0.000% *  3.3792% (0.90   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    THR   39  21.39 +/- 0.27   0.001% *  1.2853% (0.34   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    THR   39  28.15 +/- 0.46   0.000% *  3.3792% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1043 (4.42, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.85, support = 2.46, residual support = 6.76:
          HA    SER   37 - HN    THR   39   4.22 +/- 0.05  81.474% * 47.9880% (0.90   2.28   2.73) =  81.293%  kept
          HA    LEU   40 - HN    THR   39   5.43 +/- 0.08  18.056% * 49.8233% (0.65   3.28  24.25) =  18.705%  kept
          HA    GLU-  15 - HN    THR   39  12.60 +/- 1.03   0.131% *  0.3927% (0.84   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    THR   39  10.91 +/- 0.08   0.275% *  0.1604% (0.34   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    THR   39  15.66 +/- 0.51   0.032% *  0.4217% (0.90   0.02   0.02) =   0.000%
          HA    SER   13 - HN    THR   39  16.64 +/- 1.71   0.027% *  0.3927% (0.84   0.02   0.02) =   0.000%
          HA    THR   46 - HN    THR   39  23.09 +/- 0.15   0.003% *  0.4448% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    THR   39  23.99 +/- 0.46   0.002% *  0.3765% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1044 (3.84, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.381, support = 2.99, residual support = 27.1:
      O   HB    THR   39 - HN    THR   39   2.57 +/- 0.09  55.531% * 69.9381% (0.41   3.33  34.36) =  77.071%  kept
          HB3   SER   37 - HN    THR   39   2.76 +/- 0.51  44.443% * 25.9975% (0.28   1.83   2.73) =  22.929%  kept
          HA    GLN   30 - HN    THR   39   9.47 +/- 0.43   0.024% *  0.9653% (0.95   0.02   0.02) =   0.000%
          QB    SER   13 - HN    THR   39  15.01 +/- 1.76   0.002% *  0.4575% (0.45   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    THR   39  23.05 +/- 0.78   0.000% *  0.7799% (0.76   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    THR   39  23.02 +/- 0.27   0.000% *  0.2837% (0.28   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    THR   39  25.96 +/- 0.37   0.000% *  0.5777% (0.57   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    THR   39  30.30 +/- 0.20   0.000% *  1.0002% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1045 (1.27, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.783, support = 2.93, residual support = 18.4:
          QB    ALA   34 - HN    THR   39   3.55 +/- 0.19  51.607% * 24.4197% (1.00   2.00   7.75) =  52.445%  kept
          QG2   THR   39 - HN    THR   39   3.63 +/- 0.35  43.828% * 20.4324% (0.49   3.43  34.36) =  37.267%  kept
          HG3   LYS+  38 - HN    THR   39   5.38 +/- 0.41   4.533% * 54.5421% (0.76   5.83  15.15) =  10.288%  kept
          HG13  ILE   19 - HN    THR   39  12.68 +/- 0.94   0.027% *  0.0484% (0.20   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    THR   39  18.34 +/- 0.47   0.003% *  0.2123% (0.87   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    THR   39  19.14 +/- 0.28   0.002% *  0.2259% (0.92   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    THR   39  23.52 +/- 0.71   0.001% *  0.1191% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1046 (3.79, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 6.07, residual support = 209.8:
      O   HA    LYS+  38 - HN    LYS+  38   2.22 +/- 0.00  99.266% * 99.2577% (0.80   6.07 209.82) =  99.998%  kept
          HA    GLU- 100 - HN    LYS+  38   5.27 +/- 0.62   0.733% *  0.2311% (0.57   0.02   0.02) =   0.002%
          HA    VAL   24 - HN    LYS+  38  17.75 +/- 0.26   0.000% *  0.1135% (0.28   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    LYS+  38  20.37 +/- 0.55   0.000% *  0.2147% (0.53   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    LYS+  38  28.73 +/- 0.37   0.000% *  0.1830% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 5.07, residual support = 209.8:
      O   HB2   LYS+  38 - HN    LYS+  38   3.90 +/- 0.07  99.769% * 99.0694% (1.00   5.07 209.82) = 100.000%  kept
          HG3   GLU-  29 - HN    LYS+  38  14.62 +/- 0.55   0.038% *  0.2837% (0.73   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    LYS+  38  12.32 +/- 0.72   0.113% *  0.0773% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  38  13.77 +/- 0.49   0.054% *  0.1333% (0.34   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    LYS+  38  16.77 +/- 1.16   0.018% *  0.0974% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LYS+  38  19.14 +/- 0.60   0.007% *  0.1333% (0.34   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  38  28.51 +/- 0.44   0.001% *  0.2056% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1048 (1.89, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 5.2, residual support = 209.8:
      O   HB3   LYS+  38 - HN    LYS+  38   3.57 +/- 0.10  97.869% * 97.9178% (0.90   5.20 209.82) =  99.998%  kept
          QB    LYS+  33 - HN    LYS+  38   6.89 +/- 0.36   1.999% *  0.0830% (0.20   0.02   0.02) =   0.002%
          HB3   GLN   30 - HN    LYS+  38  11.16 +/- 0.76   0.116% *  0.4158% (0.99   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    LYS+  38  16.54 +/- 0.57   0.010% *  0.1431% (0.34   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LYS+  38  21.87 +/- 3.06   0.003% *  0.0934% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  38  28.03 +/- 0.39   0.000% *  0.3763% (0.90   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  38  27.45 +/- 0.29   0.000% *  0.3206% (0.76   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  38  28.94 +/- 0.32   0.000% *  0.4158% (0.99   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  38  24.21 +/- 0.38   0.001% *  0.1295% (0.31   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  38  27.84 +/- 0.76   0.000% *  0.1046% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.62 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 = 209.8:
          HG2   LYS+  38 - HN    LYS+  38   2.48 +/- 0.17  99.629% * 98.4027% (0.65   5.85 209.82) =  99.999%  kept
          HG2   LYS+  99 - HN    LYS+  38   6.57 +/- 0.48   0.341% *  0.2735% (0.53   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    LYS+  38   9.88 +/- 0.27   0.028% *  0.1157% (0.22   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LYS+  38  20.23 +/- 0.29   0.000% *  0.4917% (0.95   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LYS+  38  20.92 +/- 0.29   0.000% *  0.4917% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    LYS+  38  18.91 +/- 0.49   0.001% *  0.0802% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  38  28.71 +/- 0.36   0.000% *  0.1445% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1051 (3.87, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.42, residual support = 25.6:
      O   HB3   SER   37 - HN    SER   37   2.71 +/- 0.30  97.258% * 97.1920% (0.99   3.42  25.62) =  99.984%  kept
          HB    THR   39 - HN    SER   37   5.11 +/- 0.16   2.584% *  0.5680% (0.99   0.02   2.73) =   0.016%
          HA    GLN   30 - HN    SER   37   8.19 +/- 0.27   0.150% *  0.1134% (0.20   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   37  15.04 +/- 2.08   0.007% *  0.5617% (0.98   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   37  22.48 +/- 0.81   0.000% *  0.4379% (0.76   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   37  22.99 +/- 0.25   0.000% *  0.4161% (0.73   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   37  24.32 +/- 0.26   0.000% *  0.5680% (0.99   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   37  32.12 +/- 0.30   0.000% *  0.1429% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1052 (2.15, 7.91, 112.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.72, residual support = 19.3:
          QB    GLU-  36 - HN    SER   37   3.41 +/- 0.24  99.398% * 98.3048% (1.00   3.72  19.34) =  99.999%  kept
          HG3   GLU- 100 - HN    SER   37   8.68 +/- 0.72   0.498% *  0.0926% (0.18   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    SER   37  11.83 +/- 0.54   0.064% *  0.4585% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    SER   37  12.74 +/- 0.58   0.039% *  0.2573% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    SER   37  22.76 +/- 0.52   0.001% *  0.5238% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    SER   37  28.19 +/- 0.39   0.000% *  0.3630% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 4.11, residual support = 8.38:
          HG2   LYS+  38 - HN    SER   37   4.53 +/- 0.07  97.482% * 97.0608% (0.38   4.11   8.38) =  99.990%  kept
          HG2   LYS+  99 - HN    SER   37   8.46 +/- 0.47   2.465% *  0.3498% (0.28   0.02   0.02) =   0.009%
          QG2   THR   77 - HN    SER   37  20.56 +/- 0.34   0.011% *  1.2468% (0.99   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    SER   37  17.54 +/- 0.44   0.030% *  0.4291% (0.34   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    SER   37  20.46 +/- 0.27   0.012% *  0.9135% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1054 (2.93, 7.76, 119.36 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.05, residual support = 45.3:
          HB2   ASN   35 - HN    GLU-  36   3.32 +/- 0.17  94.829% * 97.9497% (0.65   6.05  45.30) =  99.976%  kept
          QE    LYS+  33 - HN    GLU-  36   6.28 +/- 0.94   5.114% *  0.4340% (0.87   0.02   0.02) =   0.024%
          HB2   ASN   28 - HN    GLU-  36  11.68 +/- 0.38   0.052% *  0.4733% (0.95   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  36  18.62 +/- 0.54   0.003% *  0.4733% (0.95   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  36  22.13 +/- 1.09   0.001% *  0.4992% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  36  26.69 +/- 0.55   0.000% *  0.1707% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1055 (2.47, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.85, residual support = 82.9:
          HG2   GLU-  36 - HN    GLU-  36   3.06 +/- 0.52  99.991% * 99.4352% (0.97   4.85  82.91) = 100.000%  kept
          HG3   MET   96 - HN    GLU-  36  15.95 +/- 0.73   0.008% *  0.3400% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    GLU-  36  25.27 +/- 0.55   0.001% *  0.1593% (0.38   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  36  31.81 +/- 0.31   0.000% *  0.0655% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1056 (2.14, 7.76, 119.36 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 7.31, residual support = 82.9:
      O   QB    GLU-  36 - HN    GLU-  36   2.15 +/- 0.10  99.971% * 99.1708% (0.90   7.31  82.91) = 100.000%  kept
          HG3   GLU- 100 - HN    GLU-  36   9.46 +/- 0.74   0.017% *  0.1135% (0.38   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  36  10.71 +/- 0.49   0.007% *  0.1834% (0.61   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  36  11.30 +/- 0.39   0.005% *  0.0754% (0.25   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  36  22.08 +/- 0.62   0.000% *  0.2860% (0.95   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU-  36  17.04 +/- 0.36   0.000% *  0.0467% (0.15   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  36  27.52 +/- 0.43   0.000% *  0.1243% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (2.29, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.647, support = 4.85, residual support = 82.9:
          HG3   GLU-  36 - HN    GLU-  36   3.87 +/- 0.10  99.811% * 97.3237% (0.65   4.85  82.91) =  99.999%  kept
          QG    GLU-  15 - HN    GLU-  36  12.75 +/- 1.63   0.101% *  0.2779% (0.45   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLU-  36  19.12 +/- 3.60   0.020% *  0.5560% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    GLU-  36  14.98 +/- 1.47   0.036% *  0.1913% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLU-  36  16.11 +/- 0.49   0.020% *  0.1546% (0.25   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  36  19.56 +/- 0.46   0.006% *  0.2115% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU-  36  22.72 +/- 0.76   0.003% *  0.3018% (0.49   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    GLU-  36  25.98 +/- 0.42   0.001% *  0.3510% (0.57   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  36  22.98 +/- 0.94   0.002% *  0.1227% (0.20   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    GLU-  36  30.09 +/- 0.79   0.000% *  0.4010% (0.65   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU-  36  31.58 +/- 0.30   0.000% *  0.1086% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1058 (3.55, 6.53, 110.12 ppm):
    3 chemical-shift based assignments, quality = 0.188, support = 0.019, residual support = 0.019:
          HA2   GLY  101 - HD22  ASN   35   5.43 +/- 1.64  98.216% * 14.8773% (0.20   0.02   0.02) =  95.061%  kept
          HB2   TRP   27 - HD22  ASN   35  13.23 +/- 1.13   1.761% * 42.5614% (0.57   0.02   0.02) =   4.875%
          HD2   PRO   93 - HD22  ASN   35  27.18 +/- 1.16   0.023% * 42.5614% (0.57   0.02   0.02) =   0.064%
    Distance limit 5.16 A violated in 8 structures by 0.69 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 = 54.0:
      O   HB2   ASN   35 - HD22  ASN   35   3.63 +/- 0.15  99.587% * 97.2692% (0.76   3.58  54.03) =  99.998%  kept
          QE    LYS+  33 - HD22  ASN   35  10.42 +/- 1.06   0.241% *  0.5439% (0.76   0.02   0.69) =   0.001%
          HB2   ASN   28 - HD22  ASN   35  11.18 +/- 0.84   0.149% *  0.6173% (0.87   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HD22  ASN   35  15.27 +/- 1.17   0.021% *  0.7054% (0.99   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   35  24.93 +/- 0.97   0.001% *  0.6868% (0.96   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   35  26.28 +/- 1.03   0.001% *  0.1775% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.72 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 = 0.764, support = 1.66, residual support = 6.98:
          HA    GLN   32 - HD21  ASN   35   3.44 +/- 0.54  98.213% * 90.8330% (0.76   1.66   6.98) =  99.979%  kept
          HA    LYS+  33 - HD21  ASN   35   7.20 +/- 0.44   1.351% *  0.9846% (0.69   0.02   0.69) =   0.015%
          HA    GLU-  29 - HD21  ASN   35   8.75 +/- 0.64   0.399% *  1.1973% (0.83   0.02   0.02) =   0.005%
          HA    VAL   70 - HD21  ASN   35  14.40 +/- 0.59   0.023% *  0.5380% (0.38   0.02   0.02) =   0.000%
          HB2   SER   82 - HD21  ASN   35  18.53 +/- 1.42   0.006% *  1.3232% (0.92   0.02   0.02) =   0.000%
          HA    VAL   18 - HD21  ASN   35  18.31 +/- 0.92   0.005% *  1.2434% (0.87   0.02   0.02) =   0.000%
          HA    ALA   88 - HD21  ASN   35  21.02 +/- 0.98   0.002% *  1.1478% (0.80   0.02   0.02) =   0.000%
          HA    SER   48 - HD21  ASN   35  27.96 +/- 1.06   0.000% *  1.3833% (0.96   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD21  ASN   35  29.99 +/- 1.02   0.000% *  0.8115% (0.57   0.02   0.02) =   0.000%
          HA    GLN  116 - HD21  ASN   35  28.66 +/- 0.89   0.000% *  0.5380% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1061 (2.93, 7.37, 110.13 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 3.58, residual support = 54.0:
      O   HB2   ASN   35 - HD21  ASN   35   2.53 +/- 0.33  99.887% * 96.3064% (0.61   3.58  54.03) =  99.999%  kept
          QE    LYS+  33 - HD21  ASN   35   9.20 +/- 1.09   0.074% *  0.7962% (0.90   0.02   0.69) =   0.001%
          HB2   ASN   28 - HD21  ASN   35  10.07 +/- 0.65   0.036% *  0.8568% (0.96   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD21  ASN   35  15.26 +/- 1.03   0.003% *  0.8195% (0.92   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   35  24.37 +/- 0.99   0.000% *  0.8878% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   35  25.61 +/- 0.86   0.000% *  0.3332% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 0.616, support = 3.97, residual support = 41.3:
      O   HA    GLN   32 - HN    GLN   32   2.73 +/- 0.01  83.871% * 74.8530% (0.65   4.17  43.42) =  95.161%  kept
          HA    GLU-  29 - HN    GLN   32   3.68 +/- 0.15  14.501% * 21.9639% (0.92   0.86   0.02) =   4.828%
          HA    LYS+  33 - HN    GLN   32   5.28 +/- 0.03   1.615% *  0.4446% (0.80   0.02  13.37) =   0.011%
          HA    VAL   18 - HN    GLN   32  14.67 +/- 0.51   0.004% *  0.5253% (0.95   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLN   32  13.32 +/- 0.33   0.006% *  0.2703% (0.49   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   32  15.68 +/- 0.97   0.003% *  0.5443% (0.98   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   32  19.99 +/- 0.34   0.001% *  0.3814% (0.69   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   32  24.11 +/- 0.53   0.000% *  0.4980% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   32  27.01 +/- 0.41   0.000% *  0.2489% (0.45   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   32  28.12 +/- 0.41   0.000% *  0.2703% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.01, 7.95, 120.58 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 5.86, residual support = 156.5:
      O   HA    LYS+  33 - HN    LYS+  33   2.85 +/- 0.01  94.684% * 98.0900% (0.87   5.87 156.51) =  99.985%  kept
          HA    GLU-  29 - HN    LYS+  33   4.76 +/- 0.25   4.659% *  0.2800% (0.73   0.02   0.02) =   0.014%
          HB2   SER   37 - HN    LYS+  33   6.97 +/- 0.90   0.623% *  0.1877% (0.49   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    LYS+  33  11.60 +/- 0.32   0.021% *  0.3856% (1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  33  13.55 +/- 0.50   0.008% *  0.2649% (0.69   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  33  18.02 +/- 0.95   0.002% *  0.2339% (0.61   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LYS+  33  16.13 +/- 0.70   0.003% *  0.0763% (0.20   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  33  27.83 +/- 0.34   0.000% *  0.3856% (1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  33  25.06 +/- 0.46   0.000% *  0.0961% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.622, support = 2.35, residual support = 10.9:
          HA    THR   26 - HN    GLU-  29   3.28 +/- 0.12  53.090% * 37.8319% (0.95   0.90   1.51) =  57.256%  kept
      O   HA    ASN   28 - HN    GLU-  29   3.62 +/- 0.02  28.871% * 39.0865% (0.18   5.01  31.16) =  32.169%  kept
          HA    GLU-  25 - HN    GLU-  29   4.01 +/- 0.33  17.971% * 20.6414% (0.22   2.08   0.22) =  10.574%  kept
          HA    ALA   34 - HN    GLU-  29  11.00 +/- 0.21   0.037% *  0.2750% (0.31   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLU-  29  12.32 +/- 0.31   0.019% *  0.3664% (0.41   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU-  29  13.86 +/- 1.83   0.011% *  0.4338% (0.49   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLU-  29  24.16 +/- 0.40   0.000% *  0.6121% (0.69   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLU-  29  28.89 +/- 0.43   0.000% *  0.5765% (0.65   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLU-  29  25.67 +/- 0.41   0.000% *  0.1764% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 3.4, residual support = 90.6:
      O   HB2   ASN   28 - HD22  ASN   28   3.54 +/- 0.04  99.322% * 97.6925% (0.95   3.40  90.62) =  99.996%  kept
          HB2   ASP-  86 - HD22  ASN   28   8.85 +/- 0.84   0.495% *  0.5745% (0.95   0.02   0.02) =   0.003%
          HB2   ASN   35 - HD22  ASN   28  11.21 +/- 0.57   0.104% *  0.3929% (0.65   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD22  ASN   28  12.32 +/- 1.45   0.073% *  0.5268% (0.87   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   28  18.05 +/- 0.79   0.006% *  0.2072% (0.34   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   28  25.78 +/- 1.24   0.001% *  0.6060% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 4.29, residual support = 154.2:
      O   HG2   GLN   30 - HE21  GLN   30   4.15 +/- 0.01  99.691% * 99.2291% (0.61   4.29 154.16) =  99.998%  kept
          HB3   ASN   28 - HE21  GLN   30  11.01 +/- 0.39   0.294% *  0.6373% (0.84   0.02   6.57) =   0.002%
          QE    LYS+ 121 - HE21  GLN   30  18.40 +/- 1.37   0.015% *  0.1336% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1067 (2.72, 6.64, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.04, residual support = 154.2:
      O   HG2   GLN   30 - HE22  GLN   30   3.55 +/- 0.02  99.733% * 99.1819% (0.61   4.04 154.16) =  99.998%  kept
          HB3   ASN   28 - HE22  GLN   30   9.65 +/- 0.44   0.261% *  0.6763% (0.84   0.02   6.57) =   0.002%
          QE    LYS+ 121 - HE22  GLN   30  18.41 +/- 1.22   0.006% *  0.1418% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.73 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 = 3.26, residual support = 90.6:
      O   HB3   ASN   28 - HD22  ASN   28   3.74 +/- 0.05  99.838% * 98.5827% (0.90   3.26  90.62) =  99.999%  kept
          HG2   GLN   30 - HD22  ASN   28  10.95 +/- 0.27   0.160% *  0.6737% (1.00   0.02   6.57) =   0.001%
          QE    LYS+ 121 - HD22  ASN   28  23.85 +/- 1.17   0.002% *  0.4903% (0.73   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD22  ASN   28  27.85 +/- 1.24   0.001% *  0.2534% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1069 (1.07, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 1.31, residual support = 13.4:
          QG2   VAL   24 - HD22  ASN   28   2.66 +/- 0.30  99.999% * 97.3959% (0.97   1.31  13.43) = 100.000%  kept
          QG1   VAL  107 - HD22  ASN   28  20.19 +/- 0.81   0.001% *  0.5779% (0.38   0.02   0.02) =   0.000%
          HG    LEU   63 - HD22  ASN   28  24.48 +/- 1.19   0.000% *  1.3358% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD22  ASN   28  31.19 +/- 0.83   0.000% *  0.6904% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1070 (4.01, 8.29, 121.00 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 5.89, residual support = 84.6:
      O   HA    GLU-  29 - HN    GLU-  29   2.74 +/- 0.03  99.613% * 97.8205% (0.84   5.89  84.55) =  99.999%  kept
          HA    LYS+  33 - HN    GLU-  29   8.91 +/- 0.28   0.087% *  0.3763% (0.95   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLU-  29   7.36 +/- 0.13   0.270% *  0.0614% (0.15   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLU-  29  12.72 +/- 1.06   0.012% *  0.2888% (0.73   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLU-  29  14.65 +/- 0.37   0.004% *  0.3185% (0.80   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLU-  29  13.20 +/- 0.90   0.009% *  0.1493% (0.38   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLU-  29  16.03 +/- 0.23   0.003% *  0.3899% (0.98   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLU-  29  21.38 +/- 0.45   0.000% *  0.1357% (0.34   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLU-  29  19.19 +/- 0.49   0.001% *  0.0697% (0.18   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLU-  29  29.50 +/- 0.43   0.000% *  0.3899% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1071 (2.93, 8.29, 121.00 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.62, residual support = 31.2:
          HB2   ASN   28 - HN    GLU-  29   2.66 +/- 0.15  99.627% * 98.6174% (0.97   5.62  31.16) =  99.999%  kept
          QE    LYS+  33 - HN    GLU-  29   7.60 +/- 1.50   0.315% *  0.3262% (0.90   0.02   0.02) =   0.001%
          HB2   ASN   35 - HN    GLU-  29   9.65 +/- 0.57   0.049% *  0.2206% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  29  13.04 +/- 0.57   0.008% *  0.3357% (0.92   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  29  18.12 +/- 0.57   0.001% *  0.1365% (0.38   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  29  22.10 +/- 1.32   0.000% *  0.3637% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1072 (2.74, 8.29, 121.00 ppm):
    4 chemical-shift based assignments, quality = 0.66, support = 5.48, residual support = 30.7:
          HB3   ASN   28 - HN    GLU-  29   3.27 +/- 0.21  94.264% * 48.4249% (0.65   5.55  31.16) =  93.962%  kept
          HG2   GLN   30 - HN    GLU-  29   5.31 +/- 0.22   5.735% * 51.1451% (0.87   4.37  23.85) =   6.038%  kept
          QE    LYS+ 121 - HN    GLU-  29  23.24 +/- 1.10   0.001% *  0.2553% (0.95   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLU-  29  25.64 +/- 1.04   0.000% *  0.1746% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1073 (2.42, 8.29, 121.00 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 5.45, residual support = 84.5:
          HG2   GLU-  29 - HN    GLU-  29   3.76 +/- 0.14  90.742% * 97.7785% (0.57   5.45  84.55) =  99.982%  kept
          QG    GLN   32 - HN    GLU-  29   6.06 +/- 0.97   9.203% *  0.1761% (0.28   0.02   0.02) =   0.018%
          HB3   ASP-  86 - HN    GLU-  29  13.75 +/- 0.72   0.041% *  0.2604% (0.41   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    GLU-  29  16.91 +/- 0.38   0.011% *  0.6279% (0.99   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLU-  29  22.09 +/- 0.48   0.002% *  0.5291% (0.84   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLU-  29  25.97 +/- 0.42   0.001% *  0.6279% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 0.714, support = 2.96, residual support = 6.11:
          HA    THR   26 - HN    GLN   30   3.97 +/- 0.20  43.539% * 47.5762% (0.97   1.83   5.67) =  51.345%  kept
          HA    ASN   28 - HN    GLN   30   4.03 +/- 0.05  38.924% * 50.4122% (0.45   4.17   6.57) =  48.639%  kept
          HA1   GLY  101 - HN    LYS+  99   4.71 +/- 0.40  16.669% *  0.0296% (0.05   0.02   1.43) =   0.012%
          HA    ALA   34 - HN    GLN   30   8.72 +/- 0.25   0.388% *  0.3492% (0.65   0.02   0.30) =   0.003%
          HA1   GLY  101 - HN    GLN   30  12.71 +/- 1.77   0.050% *  0.4508% (0.84   0.02   0.02) =   0.001%
          HA    ILE   19 - HN    GLN   30  10.32 +/- 0.28   0.140% *  0.0833% (0.15   0.02  14.83) =   0.000%
          HA    ALA   34 - HN    LYS+  99   9.57 +/- 0.49   0.231% *  0.0229% (0.04   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+  99  13.21 +/- 0.58   0.033% *  0.0159% (0.03   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLN   30  23.71 +/- 0.31   0.001% *  0.2627% (0.49   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLN   30  22.67 +/- 0.32   0.001% *  0.1841% (0.34   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLN   30  27.11 +/- 0.33   0.000% *  0.5106% (0.95   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+  99  18.13 +/- 0.56   0.005% *  0.0342% (0.06   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+  99  18.14 +/- 0.30   0.005% *  0.0335% (0.06   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  99  16.28 +/- 0.22   0.009% *  0.0173% (0.03   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+  99  18.26 +/- 0.44   0.005% *  0.0055% (0.01   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+  99  22.40 +/- 0.20   0.001% *  0.0121% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1076 (4.00, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.998, support = 5.85, residual support = 23.8:
      O   HA    GLU-  29 - HN    GLN   30   3.55 +/- 0.02  96.095% * 97.7376% (1.00   5.85  23.85) =  99.993%  kept
          HA    LYS+  33 - HN    GLN   30   7.41 +/- 0.19   1.181% *  0.3284% (0.98   0.02   0.02) =   0.004%
          HA    GLN   32 - HN    GLN   30   6.71 +/- 0.10   2.129% *  0.1257% (0.38   0.02   1.50) =   0.003%
          HA    VAL   18 - HN    GLN   30  12.28 +/- 0.36   0.057% *  0.3321% (0.99   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   30  14.12 +/- 1.01   0.028% *  0.3233% (0.97   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLN   30  13.36 +/- 0.23   0.034% *  0.2560% (0.76   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN   30  11.09 +/- 0.86   0.118% *  0.0517% (0.15   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  99  10.65 +/- 0.21   0.134% *  0.0168% (0.05   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LYS+  99  13.25 +/- 0.44   0.036% *  0.0216% (0.06   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  99  11.69 +/- 0.51   0.079% *  0.0083% (0.02   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   30  19.22 +/- 0.35   0.004% *  0.1377% (0.41   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   30  20.98 +/- 0.41   0.002% *  0.2167% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LYS+  99  15.88 +/- 0.59   0.012% *  0.0220% (0.07   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  99  16.19 +/- 0.31   0.011% *  0.0218% (0.07   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LYS+  99  12.03 +/- 0.55   0.067% *  0.0034% (0.01   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   30  27.36 +/- 0.35   0.000% *  0.2560% (0.76   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   30  24.40 +/- 0.31   0.001% *  0.0746% (0.22   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  99  19.86 +/- 0.23   0.003% *  0.0168% (0.05   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  99  21.08 +/- 1.14   0.002% *  0.0212% (0.06   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  99  18.37 +/- 0.46   0.005% *  0.0090% (0.03   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  99  25.95 +/- 0.30   0.001% *  0.0142% (0.04   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  99  25.43 +/- 0.14   0.001% *  0.0049% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 6.47, residual support = 154.2:
      O   HA    GLN   30 - HN    GLN   30   2.84 +/- 0.00  99.784% * 98.6275% (0.92   6.47 154.16) = 100.000%  kept
          HB    THR   39 - HN    GLN   30  10.78 +/- 0.54   0.035% *  0.1480% (0.45   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   30  10.61 +/- 0.48   0.038% *  0.1019% (0.31   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   30  15.58 +/- 2.92   0.017% *  0.1607% (0.49   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLN   30  13.59 +/- 0.90   0.009% *  0.2643% (0.80   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LYS+  99   9.43 +/- 0.37   0.076% *  0.0097% (0.03   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LYS+  99  11.17 +/- 0.57   0.028% *  0.0067% (0.02   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    LYS+  99  13.87 +/- 0.54   0.008% *  0.0200% (0.06   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLN   30  18.51 +/- 0.28   0.001% *  0.1019% (0.31   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLN   30  22.25 +/- 0.43   0.000% *  0.1737% (0.53   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLN   30  25.99 +/- 0.30   0.000% *  0.3186% (0.97   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LYS+  99  17.72 +/- 0.39   0.002% *  0.0067% (0.02   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LYS+  99  20.88 +/- 0.70   0.001% *  0.0174% (0.05   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LYS+  99  21.27 +/- 1.79   0.001% *  0.0106% (0.03   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LYS+  99  23.80 +/- 0.34   0.000% *  0.0114% (0.03   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LYS+  99  26.77 +/- 0.17   0.000% *  0.0209% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 0.998, support = 7.14, residual support = 154.1:
          HG2   GLN   30 - HN    GLN   30   3.13 +/- 0.15  94.674% * 99.3872% (1.00   7.14 154.16) =  99.986%  kept
          HB3   ASN   28 - HN    GLN   30   5.11 +/- 0.11   5.217% *  0.2504% (0.90   0.02   6.57) =   0.014%
          QE    LYS+ 121 - HN    LYS+  99  10.44 +/- 0.86   0.086% *  0.0133% (0.05   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    GLN   30  21.30 +/- 1.10   0.001% *  0.2027% (0.73   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    LYS+  99  15.32 +/- 0.63   0.008% *  0.0183% (0.07   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LYS+  99  15.36 +/- 0.66   0.008% *  0.0164% (0.06   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLN   30  23.14 +/- 0.98   0.001% *  0.1048% (0.38   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    LYS+  99  15.64 +/- 0.97   0.007% *  0.0069% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1079 (1.87, 8.31, 118.54 ppm):
    26 chemical-shift based assignments, quality = 0.687, support = 6.89, residual support = 154.1:
      O   HB3   GLN   30 - HN    GLN   30   2.70 +/- 0.58  94.614% * 96.4301% (0.69   6.89 154.16) =  99.988%  kept
          QB    LYS+  33 - HN    GLN   30   5.15 +/- 0.51   3.677% *  0.2960% (0.73   0.02   0.02) =   0.012%
          HB    ILE  103 - HN    LYS+  99   6.20 +/- 0.20   1.252% *  0.0141% (0.03   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  99   8.76 +/- 0.37   0.149% *  0.0240% (0.06   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  99   8.59 +/- 0.22   0.165% *  0.0162% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   30  15.16 +/- 0.34   0.005% *  0.3535% (0.87   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  99   9.86 +/- 0.63   0.077% *  0.0232% (0.06   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   30  15.54 +/- 0.40   0.004% *  0.3535% (0.87   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    GLN   30  16.30 +/- 0.68   0.004% *  0.3655% (0.90   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   30  17.39 +/- 0.68   0.002% *  0.2144% (0.53   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  99  12.20 +/- 0.49   0.021% *  0.0194% (0.05   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  99  12.90 +/- 0.82   0.019% *  0.0184% (0.05   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   30  18.90 +/- 0.59   0.001% *  0.2472% (0.61   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   30  20.53 +/- 1.07   0.001% *  0.3264% (0.80   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   30  20.48 +/- 0.28   0.001% *  0.1984% (0.49   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   30  23.75 +/- 0.30   0.000% *  0.3933% (0.97   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   30  23.68 +/- 0.45   0.000% *  0.2144% (0.53   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   30  26.40 +/- 0.92   0.000% *  0.2308% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   30  26.17 +/- 0.36   0.000% *  0.1390% (0.34   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  99  18.03 +/- 0.30   0.002% *  0.0130% (0.03   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  99  20.93 +/- 0.44   0.001% *  0.0232% (0.06   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  99  21.53 +/- 0.25   0.001% *  0.0258% (0.06   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  99  21.89 +/- 0.66   0.001% *  0.0214% (0.05   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  99  21.98 +/- 0.42   0.001% *  0.0141% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  99  23.76 +/- 0.22   0.000% *  0.0091% (0.02   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  99  27.82 +/- 0.35   0.000% *  0.0152% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 0.8, support = 5.91, residual support = 51.1:
          HG    LEU   31 - HN    GLN   30   4.31 +/- 0.12  47.399% * 98.7606% (0.80   5.91  51.17) =  99.939%  kept
          QD2   LEU   73 - HN    GLN   30   6.09 +/- 0.29   6.127% *  0.3854% (0.92   0.02   4.49) =   0.050%
          QG1   VAL   41 - HN    LYS+  99   4.37 +/- 0.29  44.423% *  0.0068% (0.02   0.02   0.02) =   0.006%
          QG1   VAL   41 - HN    GLN   30   7.66 +/- 0.31   1.535% *  0.1041% (0.25   0.02   0.02) =   0.003%
          QD2   LEU   73 - HN    LYS+  99  10.38 +/- 0.37   0.240% *  0.0253% (0.06   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LYS+  99  11.15 +/- 0.68   0.164% *  0.0220% (0.05   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    GLN   30  20.80 +/- 0.23   0.004% *  0.4166% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  99  12.22 +/- 0.54   0.095% *  0.0155% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    GLN   30  23.60 +/- 0.67   0.002% *  0.2364% (0.57   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    LYS+  99  17.54 +/- 0.27   0.010% *  0.0274% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 2 structures by 0.02 A, kept.
 
    Peak 1081 (1.49, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 5.67:
          QG2   THR   26 - HN    GLN   30   3.94 +/- 0.14  96.139% * 94.2903% (0.73   2.00   5.67) =  99.995%  kept
          HB3   LEU   40 - HN    LYS+  99   7.14 +/- 0.74   3.464% *  0.0619% (0.05   0.02  14.08) =   0.002%
          HB2   LYS+  74 - HN    GLN   30  12.04 +/- 0.40   0.122% *  1.2283% (0.95   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    GLN   30  14.62 +/- 0.68   0.040% *  0.9429% (0.73   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+  99  12.14 +/- 0.83   0.128% *  0.0483% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    GLN   30  20.93 +/- 0.95   0.004% *  0.8400% (0.65   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  99  15.01 +/- 0.53   0.033% *  0.0619% (0.05   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    GLN   30  23.38 +/- 1.01   0.002% *  0.7352% (0.57   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    GLN   30  24.11 +/- 0.33   0.002% *  0.6320% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    GLN   30  21.60 +/- 0.52   0.004% *  0.2891% (0.22   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    GLN   30  25.14 +/- 1.26   0.002% *  0.6320% (0.49   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LYS+  99  15.81 +/- 0.25   0.023% *  0.0415% (0.03   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  99  17.98 +/- 0.49   0.011% *  0.0807% (0.06   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+  99  18.96 +/- 1.06   0.009% *  0.0415% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+  99  17.51 +/- 0.54   0.013% *  0.0190% (0.01   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+  99  20.99 +/- 0.41   0.004% *  0.0552% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1082 (2.06, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.373, support = 6.55, residual support = 154.2:
      O   HB2   GLN   30 - HN    GLN   30   2.94 +/- 0.67  66.310% * 69.9607% (0.41   6.64 154.16) =  83.864%  kept
          HG3   GLN   30 - HN    GLN   30   3.52 +/- 0.45  32.762% * 27.2453% (0.18   6.07 154.16) =  16.136%  kept
          HB3   GLU- 100 - HN    LYS+  99   6.27 +/- 0.21   0.893% *  0.0115% (0.02   0.02  40.23) =   0.000%
          HB2   GLU-  14 - HN    GLN   30  14.28 +/- 1.55   0.006% *  0.2696% (0.53   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLN   30  15.77 +/- 0.74   0.003% *  0.1748% (0.34   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLN   30  20.32 +/- 0.41   0.001% *  0.4946% (0.97   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLN   30  21.72 +/- 3.65   0.001% *  0.2902% (0.57   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+  99  12.92 +/- 0.72   0.014% *  0.0138% (0.03   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLN   30  24.39 +/- 0.82   0.000% *  0.3316% (0.65   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLN   30  24.07 +/- 0.28   0.000% *  0.2298% (0.45   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLN   30  27.90 +/- 0.64   0.000% *  0.3722% (0.73   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+  99  17.65 +/- 0.46   0.002% *  0.0218% (0.04   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLN   30  26.42 +/- 0.32   0.000% *  0.2298% (0.45   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLN   30  26.61 +/- 0.40   0.000% *  0.2107% (0.41   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LYS+  99  19.86 +/- 0.19   0.001% *  0.0325% (0.06   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+  99  14.96 +/- 0.68   0.005% *  0.0059% (0.01   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LYS+  99  18.86 +/- 0.27   0.001% *  0.0138% (0.03   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  99  21.70 +/- 1.50   0.000% *  0.0177% (0.03   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  99  23.90 +/- 0.20   0.000% *  0.0151% (0.03   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  99  23.98 +/- 0.17   0.000% *  0.0151% (0.03   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+  99  28.28 +/- 0.38   0.000% *  0.0245% (0.05   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    LYS+  99  28.12 +/- 2.58   0.000% *  0.0191% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1083 (2.16, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.914, support = 4.96, residual support = 23.9:
          HB3   GLU-  29 - HN    GLN   30   3.28 +/- 0.29  82.240% * 43.5662% (0.90   4.79  23.85) =  78.814%  kept
          HG3   GLU-  29 - HN    GLN   30   4.58 +/- 0.64  17.254% * 55.8181% (0.98   5.61  23.85) =  21.185%  kept
          QB    GLU-  36 - HN    GLN   30   9.49 +/- 0.43   0.148% *  0.1231% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LYS+  99   8.62 +/- 0.72   0.285% *  0.0081% (0.04   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLN   30  13.28 +/- 0.59   0.020% *  0.1068% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   30  15.29 +/- 0.40   0.008% *  0.1231% (0.61   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LYS+  99  12.08 +/- 0.37   0.034% *  0.0081% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLN   30  20.84 +/- 0.84   0.001% *  0.2012% (0.99   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  99  17.31 +/- 0.58   0.004% *  0.0120% (0.06   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  99  18.00 +/- 0.61   0.003% *  0.0131% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  99  22.78 +/- 0.58   0.001% *  0.0132% (0.07   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    LYS+  99  22.06 +/- 0.45   0.001% *  0.0070% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1084 (2.24, 8.29, 121.00 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.39, residual support = 84.6:
      O   HB2   GLU-  29 - HN    GLU-  29   3.17 +/- 0.51  99.961% * 97.9175% (0.76   5.39  84.55) = 100.000%  kept
          HB3   ASP-  76 - HN    GLU-  29  16.01 +/- 0.55   0.008% *  0.4126% (0.87   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    GLU-  29  14.32 +/- 0.52   0.017% *  0.1622% (0.34   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLU-  29  17.34 +/- 0.78   0.005% *  0.3808% (0.80   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  29  22.29 +/- 0.50   0.001% *  0.4714% (0.99   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  29  17.27 +/- 1.73   0.006% *  0.0644% (0.14   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  29  26.01 +/- 0.96   0.000% *  0.4126% (0.87   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  29  27.22 +/- 0.73   0.000% *  0.1785% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 2 structures by 0.06 A, kept.
 
    Peak 1085 (2.17, 8.29, 121.00 ppm):
    7 chemical-shift based assignments, quality = 0.813, support = 5.93, residual support = 84.6:
          HG3   GLU-  29 - HN    GLU-  29   2.67 +/- 0.24  39.528% * 62.1632% (0.97   6.24  84.55) =  52.276%  kept
      O   HB3   GLU-  29 - HN    GLU-  29   2.52 +/- 0.57  60.091% * 37.3296% (0.65   5.59  84.55) =  47.723%  kept
          HB2   GLU-  25 - HN    GLU-  29   5.59 +/- 0.39   0.369% *  0.0279% (0.14   0.02   0.22) =   0.000%
          QB    GLU-  36 - HN    GLU-  29  10.44 +/- 0.47   0.009% *  0.0704% (0.34   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  29  12.98 +/- 0.60   0.002% *  0.0574% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  29  17.18 +/- 0.35   0.000% *  0.1791% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  29  20.83 +/- 0.96   0.000% *  0.1724% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.898, support = 3.68, residual support = 154.2:
      O   HG3   GLN   30 - HE21  GLN   30   3.72 +/- 0.04  49.456% * 50.1219% (0.99   3.37 154.16) =  50.887%  kept
          HB2   GLN   30 - HE21  GLN   30   3.80 +/- 0.65  49.655% * 48.1776% (0.80   4.00 154.16) =  49.110%  kept
          QB    GLU-  15 - HE21  GLN   30   8.21 +/- 1.37   0.699% *  0.1463% (0.49   0.02   0.02) =   0.002%
          HB2   GLN   17 - HE21  GLN   30  10.20 +/- 0.61   0.116% *  0.1463% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   68 - HE21  GLN   30  13.48 +/- 0.79   0.023% *  0.2606% (0.87   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE21  GLN   30  12.68 +/- 0.79   0.033% *  0.0927% (0.31   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HE21  GLN   30  15.72 +/- 1.11   0.010% *  0.2606% (0.87   0.02   0.02) =   0.000%
          HB2   PRO   93 - HE21  GLN   30  17.89 +/- 0.83   0.004% *  0.0669% (0.22   0.02   0.02) =   0.000%
          HB    ILE  119 - HE21  GLN   30  22.26 +/- 0.46   0.001% *  0.2406% (0.80   0.02   0.02) =   0.000%
          HB    VAL  108 - HE21  GLN   30  22.93 +/- 0.70   0.001% *  0.1701% (0.57   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HE21  GLN   30  24.51 +/- 0.49   0.001% *  0.1701% (0.57   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HE21  GLN   30  24.48 +/- 0.91   0.001% *  0.1463% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.60 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 = 0.334, support = 2.11, residual support = 14.8:
          QD1   ILE   19 - HE21  GLN   30   3.40 +/- 0.28  45.530% * 69.1167% (0.41   2.13  14.83) =  67.128%  kept
          QG2   ILE   19 - HE21  GLN   30   3.27 +/- 0.76  54.380% * 28.3356% (0.18   2.05  14.83) =  32.870%  kept
          QD1   LEU   98 - HE21  GLN   30  11.01 +/- 0.72   0.057% *  1.4128% (0.90   0.02   0.02) =   0.002%
          QD2   LEU  104 - HE21  GLN   30  13.90 +/- 1.10   0.016% *  0.8919% (0.57   0.02   0.02) =   0.000%
          QG2   THR   46 - HE21  GLN   30  12.45 +/- 1.13   0.017% *  0.2431% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.88 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 = 0.285, support = 2.18, residual support = 14.8:
          QG2   ILE   19 - HE22  GLN   30   3.37 +/- 0.50  73.635% * 28.2075% (0.18   2.13  14.83) =  53.361%  kept
          QD1   ILE   19 - HE22  GLN   30   4.05 +/- 0.17  26.173% * 69.3521% (0.41   2.24  14.83) =  46.633%  kept
          QD1   LEU   98 - HE22  GLN   30  10.18 +/- 0.66   0.130% *  1.3533% (0.90   0.02   0.02) =   0.005%
          QD2   LEU  104 - HE22  GLN   30  13.62 +/- 0.99   0.026% *  0.8543% (0.57   0.02   0.02) =   0.001%
          QG2   THR   46 - HE22  GLN   30  12.03 +/- 0.79   0.037% *  0.2328% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.04 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 = 5.91, residual support = 44.6:
      O   HA    LEU   31 - HN    GLN   32   3.61 +/- 0.01  99.995% * 99.9386% (0.97   5.91  44.62) = 100.000%  kept
          HA    THR   77 - HN    GLN   32  18.66 +/- 0.50   0.005% *  0.0614% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 4.42, residual support = 43.4:
          QG    GLN   32 - HN    GLN   32   3.30 +/- 0.69  99.934% * 98.9080% (0.99   4.42  43.42) = 100.000%  kept
          HB2   GLU- 100 - HN    GLN   32  13.10 +/- 0.60   0.045% *  0.1004% (0.22   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN   32  15.84 +/- 0.88   0.012% *  0.3612% (0.80   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLN   32  20.98 +/- 0.41   0.002% *  0.3099% (0.69   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    GLN   32  18.14 +/- 0.42   0.006% *  0.1254% (0.28   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLN   32  25.69 +/- 0.45   0.001% *  0.1254% (0.28   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLN   32  29.90 +/- 0.41   0.000% *  0.0696% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1091 (2.12, 8.06, 119.69 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 4.34, residual support = 43.4:
      O   QB    GLN   32 - HN    GLN   32   2.19 +/- 0.12  99.990% * 98.5988% (0.90   4.34  43.42) = 100.000%  kept
          HB    VAL   24 - HN    GLN   32  11.15 +/- 0.26   0.006% *  0.4790% (0.95   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   32  12.90 +/- 0.68   0.003% *  0.4963% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLN   32  19.91 +/- 0.41   0.000% *  0.3478% (0.69   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLN   32  16.60 +/- 0.72   0.001% *  0.0781% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 0.673, support = 3.09, residual support = 6.27:
          HB3   GLN   30 - HN    GLN   32   5.24 +/- 0.19  32.344% * 73.5393% (0.99   2.48   1.50) =  59.849%  kept
          QB    LYS+  33 - HN    GLN   32   4.61 +/- 0.30  67.408% * 23.6706% (0.20   4.00  13.37) =  40.148%  kept
          HB3   LYS+  38 - HN    GLN   32  12.54 +/- 0.30   0.170% *  0.5357% (0.90   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    GLN   32  16.11 +/- 0.57   0.038% *  0.2038% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   32  17.54 +/- 0.43   0.022% *  0.1844% (0.31   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   32  25.41 +/- 0.48   0.002% *  0.5921% (0.99   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   32  25.73 +/- 0.37   0.002% *  0.4565% (0.76   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    GLN   32  23.02 +/- 3.22   0.007% *  0.1330% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   32  22.27 +/- 1.04   0.005% *  0.1490% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   32  28.15 +/- 0.44   0.001% *  0.5357% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1093 (1.34, 8.06, 119.69 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.91, residual support = 44.6:
          HB2   LEU   31 - HN    GLN   32   2.64 +/- 0.11  99.939% * 97.3626% (0.98   5.91  44.62) = 100.000%  kept
          HG2   LYS+  38 - HN    GLN   32  10.83 +/- 0.39   0.022% *  0.2040% (0.61   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    GLN   32  11.58 +/- 1.25   0.018% *  0.2176% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    GLN   32  12.68 +/- 0.46   0.008% *  0.2443% (0.73   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLN   32  14.03 +/- 0.50   0.005% *  0.3356% (1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    GLN   32  14.23 +/- 0.35   0.004% *  0.1770% (0.53   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLN   32  17.64 +/- 0.49   0.001% *  0.3017% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLN   32  20.22 +/- 0.64   0.001% *  0.3246% (0.97   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLN   32  16.75 +/- 0.24   0.002% *  0.0935% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    GLN   32  22.39 +/- 0.50   0.000% *  0.1637% (0.49   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    GLN   32  24.42 +/- 0.74   0.000% *  0.2571% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLN   32  27.63 +/- 0.41   0.000% *  0.3182% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 5.91, residual support = 44.6:
          HB3   LEU   31 - HN    GLN   32   3.77 +/- 0.09  99.573% * 98.9093% (0.98   5.91  44.62) =  99.999%  kept
          QG1   VAL   24 - HN    GLN   32   9.65 +/- 0.23   0.357% *  0.1935% (0.57   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    GLN   32  12.99 +/- 0.30   0.061% *  0.1798% (0.53   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    GLN   32  19.09 +/- 0.36   0.006% *  0.0852% (0.25   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    GLN   32  25.07 +/- 0.42   0.001% *  0.3298% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    GLN   32  24.28 +/- 0.54   0.001% *  0.0676% (0.20   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    GLN   32  30.19 +/- 0.48   0.000% *  0.2347% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1096 (2.40, 7.95, 120.58 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 4.72, residual support = 13.4:
          QG    GLN   32 - HN    LYS+  33   3.86 +/- 0.47  99.968% * 98.7462% (0.84   4.72  13.37) = 100.000%  kept
          QG    GLU-  79 - HN    LYS+  33  16.93 +/- 0.83   0.018% *  0.2637% (0.53   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    LYS+  33  19.18 +/- 0.34   0.008% *  0.2637% (0.53   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    LYS+  33  21.34 +/- 0.28   0.004% *  0.4627% (0.92   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    LYS+  33  25.60 +/- 0.41   0.001% *  0.2637% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1097 (2.11, 7.95, 120.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.4, residual support = 13.4:
          QB    GLN   32 - HN    LYS+  33   2.92 +/- 0.10  99.953% * 98.5381% (1.00   4.40  13.37) = 100.000%  kept
          HG3   GLU- 100 - HN    LYS+  33  12.30 +/- 0.70   0.019% *  0.3585% (0.80   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    LYS+  33  13.27 +/- 0.25   0.012% *  0.4438% (0.99   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  33  13.83 +/- 1.64   0.013% *  0.0691% (0.15   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    LYS+  33  17.79 +/- 0.40   0.002% *  0.4133% (0.92   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  33  27.11 +/- 0.30   0.000% *  0.0886% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  33  28.03 +/- 0.35   0.000% *  0.0886% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1098 (1.87, 7.95, 120.58 ppm):
    15 chemical-shift based assignments, quality = 0.965, support = 5.78, residual support = 156.5:
      O   QB    LYS+  33 - HN    LYS+  33   2.23 +/- 0.29  99.109% * 96.9564% (0.97   5.78 156.51) =  99.999%  kept
          HB3   GLN   30 - HN    LYS+  33   5.22 +/- 0.28   0.878% *  0.1305% (0.38   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    LYS+  33  10.92 +/- 0.29   0.010% *  0.1969% (0.57   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  33  16.84 +/- 0.61   0.001% *  0.3471% (1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  33  16.84 +/- 0.55   0.001% *  0.2905% (0.84   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  33  18.50 +/- 0.35   0.000% *  0.3120% (0.90   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  33  19.31 +/- 0.38   0.000% *  0.3478% (1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  33  18.99 +/- 0.37   0.000% *  0.2785% (0.80   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  33  24.02 +/- 0.98   0.000% *  0.3448% (0.99   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  33  25.94 +/- 0.31   0.000% *  0.2526% (0.73   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  33  29.35 +/- 0.78   0.000% *  0.3017% (0.87   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  33  26.52 +/- 0.44   0.000% *  0.0867% (0.25   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  33  27.86 +/- 0.84   0.000% *  0.0537% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  33  27.53 +/- 0.40   0.000% *  0.0471% (0.14   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  33  29.56 +/- 0.28   0.000% *  0.0537% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1099 (1.56, 7.95, 120.58 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.32, residual support = 156.5:
          HG2   LYS+  33 - HN    LYS+  33   3.61 +/- 0.51  99.989% * 98.5795% (0.61   4.32 156.51) = 100.000%  kept
          QG    LYS+  81 - HN    LYS+  33  19.09 +/- 0.39   0.006% *  0.6945% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HN    LYS+  33  19.47 +/- 1.14   0.005% *  0.7260% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 1 structures by 0.03 A, kept.
 
    Peak 1100 (1.36, 7.95, 120.58 ppm):
    16 chemical-shift based assignments, quality = 0.368, support = 5.31, residual support = 147.6:
          HG3   LYS+  33 - HN    LYS+  33   3.48 +/- 1.07  79.556% * 75.3992% (0.38   5.51 156.51) =  94.254%  kept
          HB2   LEU   31 - HN    LYS+  33   4.91 +/- 0.10  19.947% * 18.3230% (0.25   2.02   0.68) =   5.743%  kept
          HB3   LEU   73 - HN    LYS+  33  10.13 +/- 0.39   0.247% *  0.3836% (0.53   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    LYS+  33  12.24 +/- 1.45   0.115% *  0.6325% (0.87   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  33  13.02 +/- 0.29   0.055% *  0.3269% (0.45   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+  33  15.68 +/- 0.30   0.018% *  0.6898% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  33  16.25 +/- 1.31   0.016% *  0.4128% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  33  15.63 +/- 0.42   0.018% *  0.2737% (0.38   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LYS+  33  17.65 +/- 0.39   0.009% *  0.4423% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  33  18.91 +/- 0.84   0.006% *  0.5573% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  33  19.53 +/- 0.63   0.005% *  0.3549% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+  33  22.87 +/- 0.49   0.002% *  0.7037% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  33  23.22 +/- 0.78   0.002% *  0.5573% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  33  21.30 +/- 0.96   0.003% *  0.3269% (0.45   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  33  31.17 +/- 0.29   0.000% *  0.4717% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  33  28.40 +/- 0.35   0.001% *  0.1443% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1101 (0.08, 7.95, 120.58 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 0.569, residual support = 0.682:
          QD2   LEU   31 - HN    LYS+  33   4.95 +/- 0.12  99.132% * 90.4791% (0.65   0.57   0.68) =  99.953%  kept
          QG2   VAL   83 - HN    LYS+  33  11.18 +/- 0.40   0.769% *  4.8715% (0.99   0.02   0.02) =   0.042%
          QD1   ILE   89 - HN    LYS+  33  15.71 +/- 0.24   0.098% *  4.6494% (0.95   0.02   0.02) =   0.005%
    Distance limit 4.88 A violated in 5 structures by 0.08 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 1114 (4.00, 8.36, 120.50 ppm):
    11 chemical-shift based assignments, quality = 0.69, support = 1.68, residual support = 3.7:
          HA    LYS+  33 - HN    ASN   35   4.03 +/- 0.13  28.578% * 67.9945% (0.98   1.65   0.69) =  52.055%  kept
          HA    GLN   32 - HN    ASN   35   3.50 +/- 0.04  66.166% * 27.0331% (0.38   1.71   6.98) =  47.916%  kept
          HB2   SER   37 - HN    ASN   35   5.86 +/- 0.84   4.630% *  0.1297% (0.15   0.02   0.02) =   0.016%
          HA    GLU-  29 - HN    ASN   35   7.88 +/- 0.13   0.512% *  0.8384% (1.00   0.02   0.02) =   0.011%
          HA    VAL   70 - HN    ASN   35  10.46 +/- 0.42   0.096% *  0.6422% (0.76   0.02   0.02) =   0.002%
          HA    VAL   18 - HN    ASN   35  14.51 +/- 0.50   0.013% *  0.8329% (0.99   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ASN   35  19.38 +/- 1.00   0.002% *  0.8109% (0.97   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ASN   35  21.72 +/- 0.28   0.001% *  0.3455% (0.41   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ASN   35  26.43 +/- 0.30   0.000% *  0.6422% (0.76   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASN   35  26.42 +/- 0.47   0.000% *  0.5436% (0.65   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASN   35  28.19 +/- 0.38   0.000% *  0.1871% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 0.95, support = 0.0197, residual support = 44.6:
          HA    GLU-  36 - HN    ASN   35   5.17 +/- 0.08  93.059% * 25.2403% (0.97   0.02  45.30) =  98.469%  kept
          HA    ASN   28 - HN    ASN   35   7.99 +/- 0.19   6.897% *  5.1758% (0.20   0.02   0.02) =   1.497%
          HA    LYS+  81 - HN    ASN   35  21.08 +/- 0.36   0.020% * 26.0958% (1.00   0.02   0.02) =   0.022%
          HA    ALA  124 - HN    ASN   35  24.69 +/- 1.04   0.008% * 20.9424% (0.80   0.02   0.02) =   0.007%
          HA    ARG+  54 - HN    ASN   35  28.68 +/- 0.52   0.003% * 17.9653% (0.69   0.02   0.02) =   0.002%
          HA    LEU  115 - HN    ASN   35  23.02 +/- 0.26   0.012% *  4.5804% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.33 A violated in 20 structures by 0.84 A, eliminated.
    Peak unassigned.
 
    Peak 1116 (2.92, 8.36, 120.50 ppm):
    8 chemical-shift based assignments, quality = 0.309, support = 5.51, residual support = 54.0:
      O   HB2   ASN   35 - HN    ASN   35   2.38 +/- 0.45  99.243% * 94.8800% (0.31   5.51  54.03) =  99.991%  kept
          QE    LYS+  33 - HN    ASN   35   6.18 +/- 0.77   0.722% *  1.1133% (1.00   0.02   0.69) =   0.009%
          HB2   ASN   28 - HN    ASN   35  10.30 +/- 0.17   0.028% *  1.0768% (0.97   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   35  16.39 +/- 0.46   0.002% *  0.7218% (0.65   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASN   35  14.07 +/- 0.78   0.004% *  0.1954% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   35  20.78 +/- 1.04   0.000% *  0.9679% (0.87   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   35  24.37 +/- 0.48   0.000% *  0.7665% (0.69   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ASN   35  20.69 +/- 0.55   0.000% *  0.2782% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1117 (1.28, 8.36, 120.50 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 3.28, residual support = 18.4:
          QB    ALA   34 - HN    ASN   35   2.86 +/- 0.08  98.993% * 97.9769% (0.92   3.28  18.37) =  99.997%  kept
          QG2   THR   39 - HN    ASN   35   7.01 +/- 0.57   0.665% *  0.1998% (0.31   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HN    ASN   35   7.58 +/- 0.57   0.335% *  0.3664% (0.57   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    ASN   35  15.36 +/- 0.41   0.004% *  0.6344% (0.98   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ASN   35  19.57 +/- 0.30   0.001% *  0.4946% (0.76   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ASN   35  18.17 +/- 0.43   0.002% *  0.1281% (0.20   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ASN   35  22.28 +/- 0.57   0.000% *  0.1998% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 3.4, residual support = 90.6:
      O   HB2   ASN   28 - HD21  ASN   28   2.33 +/- 0.08  99.965% * 97.7357% (0.97   3.40  90.62) = 100.000%  kept
          HB2   ASP-  86 - HD21  ASN   28  10.32 +/- 0.79   0.015% *  0.5498% (0.92   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD21  ASN   28  11.49 +/- 1.53   0.010% *  0.5341% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD21  ASN   28  11.16 +/- 0.55   0.009% *  0.3612% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   28  18.31 +/- 0.69   0.000% *  0.2235% (0.38   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   28  25.60 +/- 1.25   0.000% *  0.5956% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1119 (2.73, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.26, residual support = 90.6:
      O   HB3   ASN   28 - HD21  ASN   28   2.76 +/- 0.10  99.956% * 98.5827% (0.90   3.26  90.62) = 100.000%  kept
          HG2   GLN   30 - HD21  ASN   28  10.08 +/- 0.25   0.044% *  0.6737% (1.00   0.02   6.57) =   0.000%
          QE    LYS+ 121 - HD21  ASN   28  24.54 +/- 1.11   0.000% *  0.4903% (0.73   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD21  ASN   28  28.26 +/- 1.15   0.000% *  0.2534% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1120 (1.06, 7.61, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 2.06, residual support = 13.4:
          QG2   VAL   24 - HD21  ASN   28   2.78 +/- 0.36  99.998% * 97.2058% (0.76   2.06  13.43) = 100.000%  kept
          HG    LEU   63 - HD21  ASN   28  24.87 +/- 1.19   0.000% *  1.1061% (0.90   0.02   0.02) =   0.000%
          QG2   VAL  108 - HD21  ASN   28  19.63 +/- 1.12   0.001% *  0.3075% (0.25   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD21  ASN   28  20.37 +/- 0.66   0.001% *  0.1903% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD21  ASN   28  31.97 +/- 0.71   0.000% *  1.1903% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 5.04, residual support = 44.3:
      O   HA    TRP   27 - HN    ASN   28   3.64 +/- 0.00  99.994% * 99.1158% (1.00   5.04  44.31) = 100.000%  kept
          HA    ALA   91 - HN    ASN   28  20.60 +/- 0.44   0.003% *  0.3628% (0.92   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ASN   28  21.72 +/- 0.57   0.002% *  0.3147% (0.80   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ASN   28  26.34 +/- 0.46   0.001% *  0.2068% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (3.76, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.09, residual support = 13.4:
          HA    VAL   24 - HN    ASN   28   3.54 +/- 0.22  99.980% * 99.3956% (0.92   5.09  13.43) = 100.000%  kept
          HA    LYS+  38 - HN    ASN   28  15.49 +/- 0.48   0.016% *  0.1739% (0.41   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ASN   28  20.77 +/- 0.41   0.003% *  0.1739% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASN   28  22.76 +/- 0.27   0.002% *  0.2566% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1124 (3.57, 8.80, 115.33 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.3, residual support = 44.3:
          HB2   TRP   27 - HN    ASN   28   2.53 +/- 0.16  99.996% * 99.2344% (0.80   5.30  44.31) = 100.000%  kept
          HA    THR   77 - HN    ASN   28  13.96 +/- 0.49   0.004% *  0.3909% (0.84   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    ASN   28  22.33 +/- 0.51   0.000% *  0.3747% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 6.21, residual support = 90.6:
      O   HB2   ASN   28 - HN    ASN   28   2.22 +/- 0.12  99.953% * 98.7467% (0.97   6.21  90.62) = 100.000%  kept
          QE    LYS+  33 - HN    ASN   28   9.40 +/- 1.32   0.025% *  0.2956% (0.90   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   28  10.41 +/- 0.58   0.011% *  0.3043% (0.92   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASN   28  10.36 +/- 0.65   0.011% *  0.1999% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   28  16.16 +/- 0.59   0.001% *  0.1237% (0.38   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   28  22.11 +/- 1.24   0.000% *  0.3297% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1126 (2.73, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 6.07, residual support = 90.6:
      O   HB3   ASN   28 - HN    ASN   28   3.48 +/- 0.03  97.897% * 99.2350% (0.90   6.07  90.62) =  99.992%  kept
          HG2   GLN   30 - HN    ASN   28   6.63 +/- 0.27   2.101% *  0.3636% (1.00   0.02   6.57) =   0.008%
          QE    LYS+ 121 - HN    ASN   28  22.47 +/- 1.04   0.001% *  0.2646% (0.73   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    ASN   28  25.04 +/- 0.95   0.001% *  0.1368% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 0.426, support = 2.6, residual support = 22.6:
          HG3   GLU-  29 - HN    ASN   28   4.97 +/- 0.12  71.196% * 43.7564% (0.20   3.41  31.16) =  67.395%  kept
          HB2   GLU-  25 - HN    ASN   28   5.80 +/- 0.11  28.389% * 53.0796% (0.90   0.91   4.92) =  32.600%  kept
          HB2   MET   96 - HN    ASN   28  12.57 +/- 0.51   0.280% *  0.3999% (0.31   0.02   0.02) =   0.002%
          QG    GLN   17 - HN    ASN   28  16.53 +/- 1.54   0.063% *  1.0375% (0.80   0.02   0.02) =   0.001%
          HB    VAL   70 - HN    ASN   28  17.40 +/- 0.23   0.039% *  0.9408% (0.73   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    ASN   28  17.91 +/- 0.48   0.033% *  0.7858% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1128 (1.09, 8.80, 115.33 ppm):
    5 chemical-shift based assignments, quality = 0.459, support = 2.87, residual support = 13.4:
          QG2   VAL   24 - HN    ASN   28   3.23 +/- 0.10  91.924% * 55.2139% (0.45   2.95  13.43) =  93.550%  kept
          QG1   VAL   24 - HN    ASN   28   4.87 +/- 0.18   8.072% * 43.3491% (0.61   1.71  13.43) =   6.450%  kept
          QG1   VAL  107 - HN    ASN   28  18.86 +/- 0.44   0.002% *  0.7719% (0.92   0.02   0.02) =   0.000%
          HG    LEU   63 - HN    ASN   28  21.43 +/- 1.29   0.001% *  0.2581% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ASN   28  29.26 +/- 0.54   0.000% *  0.4070% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.84 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 = 0.735, support = 1.84, residual support = 0.792:
          QG1   VAL   83 - HN    ASN   28   5.19 +/- 0.53  42.836% * 47.4659% (1.00   1.34   0.76) =  55.621%  kept
          QD2   LEU   80 - HN    ASN   28   5.37 +/- 0.33  33.748% * 41.1512% (0.45   2.58   0.95) =  37.990%  kept
          QD1   LEU   73 - HN    ASN   28   5.68 +/- 0.21  23.137% * 10.0891% (0.15   1.84   0.12) =   6.386%  kept
          QG2   ILE   89 - HN    ASN   28  12.61 +/- 0.37   0.190% *  0.4028% (0.57   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    ASN   28  16.13 +/- 0.64   0.045% *  0.4887% (0.69   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    ASN   28  16.68 +/- 0.60   0.037% *  0.1098% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ASN   28  21.73 +/- 0.46   0.007% *  0.2925% (0.41   0.02   0.02) =   0.000%
    Distance limit 5.14 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 = 3.09, residual support = 24.6:
          HA    VAL   24 - HN    TRP   27   3.10 +/- 0.07  99.986% * 99.0423% (0.99   3.09  24.59) = 100.000%  kept
          HA    LYS+  38 - HN    TRP   27  16.93 +/- 0.56   0.004% *  0.4693% (0.73   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    ALA   91  16.17 +/- 0.72   0.005% *  0.0791% (0.12   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    TRP   27  19.18 +/- 0.44   0.002% *  0.1132% (0.18   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    TRP   27  22.20 +/- 0.30   0.001% *  0.1995% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ALA   91  19.13 +/- 0.45   0.002% *  0.0140% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    ALA   91  26.51 +/- 0.80   0.000% *  0.0580% (0.09   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ALA   91  26.83 +/- 0.66   0.000% *  0.0246% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 5.3, residual support = 97.8:
      O   HB2   TRP   27 - HN    TRP   27   2.28 +/- 0.11  99.669% * 99.3093% (0.99   5.30  97.78) = 100.000%  kept
          HD2   PRO   93 - HN    ALA   91   7.45 +/- 0.57   0.120% *  0.0463% (0.12   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   91   6.59 +/- 0.83   0.207% *  0.0246% (0.07   0.02   0.02) =   0.000%
          HA    THR   77 - HN    TRP   27  12.71 +/- 0.42   0.003% *  0.1989% (0.53   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    TRP   27  21.29 +/- 0.49   0.000% *  0.3747% (0.99   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ALA   91  16.50 +/- 0.64   0.001% *  0.0463% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 5.61, residual support = 97.8:
      O   HB3   TRP   27 - HN    TRP   27   2.68 +/- 0.17  99.964% * 98.7847% (0.99   5.61  97.78) = 100.000%  kept
          QE    LYS+ 106 - HN    ALA   91  11.95 +/- 1.53   0.018% *  0.0266% (0.07   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    TRP   27  17.92 +/- 0.54   0.001% *  0.3480% (0.98   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    TRP   27  17.22 +/- 0.68   0.002% *  0.1868% (0.53   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    TRP   27  18.36 +/- 1.26   0.001% *  0.2154% (0.61   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    TRP   27  18.03 +/- 0.45   0.001% *  0.1460% (0.41   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   91  15.73 +/- 0.58   0.003% *  0.0435% (0.12   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    TRP   27  18.34 +/- 0.71   0.001% *  0.0987% (0.28   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ALA   91  14.13 +/- 0.46   0.005% *  0.0180% (0.05   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   91  16.87 +/- 0.82   0.002% *  0.0430% (0.12   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    TRP   27  18.85 +/- 1.00   0.001% *  0.0481% (0.14   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    ALA   91  21.65 +/- 0.88   0.000% *  0.0231% (0.07   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ALA   91  20.13 +/- 1.02   0.001% *  0.0059% (0.02   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ALA   91  27.85 +/- 0.88   0.000% *  0.0122% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1133 (2.60, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 0.749, residual support = 1.5:
          HB3   CYS   21 - HN    TRP   27   3.89 +/- 0.22  99.830% * 96.3493% (0.53   0.75   1.50) =  99.998%  kept
          HG2   MET   96 - HN    TRP   27  13.56 +/- 0.75   0.065% *  2.9663% (0.61   0.02   0.02) =   0.002%
          HG2   MET   96 - HN    ALA   91  12.86 +/- 0.89   0.088% *  0.3665% (0.07   0.02   0.02) =   0.000%
          HB3   CYS   21 - HN    ALA   91  16.68 +/- 0.86   0.017% *  0.3179% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1135 (1.50, 7.73, 123.24 ppm):
    20 chemical-shift based assignments, quality = 0.98, support = 4.46, residual support = 20.1:
          QG2   THR   26 - HN    TRP   27   3.52 +/- 0.18  99.678% * 97.5920% (0.98   4.46  20.13) =  99.999%  kept
          HB2   LYS+  74 - HN    TRP   27  10.84 +/- 0.44   0.123% *  0.3579% (0.80   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    TRP   27  13.32 +/- 0.54   0.036% *  0.0783% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    ALA   91  11.90 +/- 0.86   0.082% *  0.0109% (0.02   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    TRP   27  21.72 +/- 0.99   0.002% *  0.4459% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    TRP   27  17.47 +/- 0.87   0.007% *  0.0884% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA   91  15.80 +/- 0.60   0.013% *  0.0442% (0.10   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    TRP   27  19.01 +/- 0.84   0.004% *  0.1243% (0.28   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    TRP   27  22.95 +/- 0.54   0.001% *  0.3416% (0.76   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA   91  17.01 +/- 0.50   0.008% *  0.0541% (0.12   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    TRP   27  24.95 +/- 0.85   0.001% *  0.4459% (1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ALA   91  13.62 +/- 0.89   0.033% *  0.0097% (0.02   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    ALA   91  21.77 +/- 1.30   0.002% *  0.0551% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    TRP   27  25.04 +/- 0.71   0.001% *  0.1243% (0.28   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    TRP   27  24.60 +/- 0.45   0.001% *  0.0884% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA   91  23.69 +/- 0.82   0.001% *  0.0551% (0.12   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA   91  23.10 +/- 1.11   0.001% *  0.0422% (0.09   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    ALA   91  21.40 +/- 0.79   0.002% *  0.0154% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    ALA   91  21.54 +/- 0.82   0.002% *  0.0154% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA   91  22.64 +/- 0.80   0.001% *  0.0109% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 0.821, support = 2.2, residual support = 7.69:
          QD2   LEU   80 - HN    TRP   27   4.23 +/- 0.32  61.926% * 49.1316% (0.76   2.33   6.04) =  75.365%  kept
          QD1   LEU   73 - HN    TRP   27   5.10 +/- 0.29  20.368% * 48.7548% (1.00   1.77  12.74) =  24.598%  kept
          QG1   VAL   83 - HN    TRP   27   5.48 +/- 0.59  16.186% *  0.0850% (0.15   0.02   4.45) =   0.034%
          QG2   VAL   41 - HN    TRP   27   8.46 +/- 0.46   0.981% *  0.0746% (0.14   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    TRP   27  16.09 +/- 0.73   0.021% *  0.5497% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   91  11.76 +/- 0.69   0.137% *  0.0520% (0.09   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    TRP   27  17.40 +/- 0.85   0.013% *  0.3341% (0.61   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  16.99 +/- 0.58   0.015% *  0.2898% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   91  13.75 +/- 0.51   0.052% *  0.0679% (0.12   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ALA   91  14.62 +/- 0.42   0.037% *  0.0679% (0.12   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   91  14.53 +/- 0.57   0.038% *  0.0545% (0.10   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    TRP   27  21.12 +/- 0.50   0.004% *  0.4411% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   91  11.48 +/- 0.53   0.158% *  0.0105% (0.02   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   91  15.91 +/- 0.64   0.022% *  0.0413% (0.07   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ALA   91  14.71 +/- 0.57   0.035% *  0.0092% (0.02   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  19.00 +/- 0.85   0.008% *  0.0358% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 1 structures by 0.01 A, kept.
 
    Peak 1137 (0.14, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.931, support = 0.0197, residual support = 1.47:
          QG2   VAL   75 - HN    TRP   27   5.94 +/- 0.27  94.419% * 43.3149% (0.95   0.02   1.50) =  98.438%  kept
          QG2   VAL   42 - HN    TRP   27  13.15 +/- 0.79   0.865% * 45.6877% (1.00   0.02   0.02) =   0.952%
          QG2   VAL   75 - HN    ALA   91  10.10 +/- 0.53   4.339% *  5.3521% (0.12   0.02   0.02) =   0.559%
          QG2   VAL   42 - HN    ALA   91  15.01 +/- 0.60   0.377% *  5.6453% (0.12   0.02   0.02) =   0.051%
    Distance limit 4.75 A violated in 20 structures by 1.19 A, eliminated.
    Peak unassigned.
 
    Peak 1139 (0.59, 10.20, 129.00 ppm):
    7 chemical-shift based assignments, quality = 0.618, support = 1.05, residual support = 6.24:
          QG1   VAL   83 - HE1   TRP   27   4.10 +/- 0.70  78.761% * 16.7327% (0.41   1.02   4.45) =  60.707%  kept
          QD2   LEU   80 - HE1   TRP   27   6.15 +/- 0.57  10.746% * 44.3236% (0.99   1.12   6.04) =  21.941%  kept
          QD1   LEU   73 - HE1   TRP   27   5.95 +/- 0.32  10.307% * 36.5372% (0.87   1.05  12.74) =  17.347%  kept
          QD1   LEU  104 - HE1   TRP   27  13.29 +/- 0.62   0.084% *  0.6934% (0.87   0.02   0.02) =   0.003%
          QD1   LEU   63 - HE1   TRP   27  14.22 +/- 0.65   0.058% *  0.6934% (0.87   0.02   0.02) =   0.002%
          QD2   LEU  115 - HE1   TRP   27  18.77 +/- 0.48   0.011% *  0.7975% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HE1   TRP   27  15.55 +/- 0.83   0.034% *  0.2222% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1140 (0.05, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.381, support = 1.6, residual support = 13.9:
          QD2   LEU   31 - HE1   TRP   27   3.99 +/- 0.26  89.852% * 48.6948% (0.31   1.73  14.48) =  89.366%  kept
          QG2   VAL   43 - HE1   TRP   27   6.02 +/- 0.54  10.148% * 51.3052% (0.99   0.57   9.03) =  10.634%  kept
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1141 (2.19, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.65, residual support = 29.5:
          HB2   GLU-  25 - HN    THR   26   2.65 +/- 0.07  98.243% * 98.9687% (0.90   5.65  29.47) =  99.999%  kept
          HG3   GLU-  29 - HN    THR   26   5.21 +/- 0.11   1.750% *  0.0773% (0.20   0.02   1.51) =   0.001%
          QG    GLN   17 - HN    THR   26  15.66 +/- 1.66   0.003% *  0.3128% (0.80   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    THR   26  15.26 +/- 0.57   0.003% *  0.1206% (0.31   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    THR   26  19.01 +/- 0.44   0.001% *  0.2837% (0.73   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    THR   26  21.08 +/- 0.46   0.000% *  0.2369% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1142 (2.02, 8.12, 116.43 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 5.25, residual support = 29.5:
          HB3   GLU-  25 - HN    THR   26   3.20 +/- 0.09  97.681% * 95.4962% (0.57   5.25  29.47) =  99.989%  kept
          HG3   GLN   30 - HN    THR   26   6.58 +/- 0.47   1.473% *  0.5363% (0.84   0.02   5.67) =   0.008%
          HB2   GLN   30 - HN    THR   26   7.62 +/- 0.94   0.752% *  0.3378% (0.53   0.02   5.67) =   0.003%
          HB    ILE   19 - HN    THR   26  10.53 +/- 0.49   0.080% *  0.1271% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR   26  16.13 +/- 0.76   0.006% *  0.4906% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR   26  17.01 +/- 0.42   0.004% *  0.4906% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    THR   26  22.89 +/- 0.39   0.001% *  0.6406% (1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   26  21.21 +/- 0.69   0.001% *  0.3894% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    THR   26  28.49 +/- 0.42   0.000% *  0.5363% (0.84   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    THR   26  24.33 +/- 0.35   0.001% *  0.1601% (0.25   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    THR   26  25.74 +/- 0.95   0.000% *  0.1982% (0.31   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   26  29.47 +/- 0.49   0.000% *  0.3378% (0.53   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    THR   26  24.75 +/- 0.37   0.000% *  0.0991% (0.15   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    THR   26  27.33 +/- 0.87   0.000% *  0.1601% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1143 (1.50, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 4.46, residual support = 28.5:
          QG2   THR   26 - HN    THR   26   3.65 +/- 0.04  99.912% * 98.0842% (0.95   4.46  28.46) = 100.000%  kept
          HB2   LYS+  74 - HN    THR   26  12.09 +/- 0.52   0.079% *  0.4610% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    THR   26  19.61 +/- 0.89   0.004% *  0.2085% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    THR   26  23.11 +/- 1.09   0.002% *  0.4172% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   26  24.56 +/- 0.54   0.001% *  0.2085% (0.45   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   26  27.38 +/- 0.85   0.001% *  0.3885% (0.84   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   26  27.14 +/- 1.18   0.001% *  0.1160% (0.25   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   26  27.05 +/- 0.34   0.001% *  0.1160% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 0.555, support = 0.0188, residual support = 0.0188:
          HB3   LEU   80 - HN    THR   26   8.37 +/- 0.82  61.067% *  8.4695% (0.53   0.02   0.02) =  55.221%  kept
          HB2   LEU   31 - HN    THR   26   9.31 +/- 0.18  32.659% * 11.0578% (0.69   0.02   0.02) =  38.558%  kept
          QG2   THR   77 - HN    THR   26  13.47 +/- 0.40   3.494% *  7.8357% (0.49   0.02   0.02) =   2.923%
          QB    ALA   88 - HN    THR   26  16.55 +/- 0.33   1.034% * 13.9639% (0.87   0.02   0.02) =   1.541%
          HG2   LYS+  38 - HN    THR   26  19.74 +/- 0.43   0.359% * 16.0623% (1.00   0.02   0.02) =   0.616%
          HG2   LYS+  99 - HN    THR   26  20.35 +/- 0.54   0.301% * 15.5357% (0.97   0.02   0.02) =   0.500%
          HB3   ASP-  44 - HN    THR   26  17.32 +/- 0.48   0.780% *  4.9686% (0.31   0.02   0.02) =   0.414%
          HB2   LEU   63 - HN    THR   26  21.44 +/- 0.65   0.219% *  6.6181% (0.41   0.02   0.02) =   0.155%
          HG2   LYS+ 111 - HN    THR   26  27.93 +/- 0.51   0.045% * 12.3026% (0.76   0.02   0.02) =   0.059%
          QB    ALA  124 - HN    THR   26  28.28 +/- 0.74   0.042% *  3.1858% (0.20   0.02   0.02) =   0.014%
    Distance limit 4.85 A violated in 20 structures by 2.89 A, eliminated.
    Peak unassigned.
 
    Peak 1145 (3.76, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.63, residual support = 35.9:
      O   HA    VAL   24 - HN    GLU-  25   3.57 +/- 0.01  99.995% * 99.4528% (0.92   5.63  35.90) = 100.000%  kept
          HA    LYS+  38 - HN    GLU-  25  20.12 +/- 0.50   0.003% *  0.1574% (0.41   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    GLU-  25  22.66 +/- 0.36   0.002% *  0.1574% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    GLU-  25  26.18 +/- 0.24   0.001% *  0.2323% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1146 (2.18, 8.78, 120.28 ppm):
    7 chemical-shift based assignments, quality = 0.607, support = 6.15, residual support = 127.5:
      O   HB2   GLU-  25 - HN    GLU-  25   2.65 +/- 0.47  98.603% * 98.5869% (0.61   6.15 127.52) =  99.998%  kept
          HG3   GLU-  29 - HN    GLU-  25   6.38 +/- 0.50   0.739% *  0.2368% (0.45   0.02   0.22) =   0.002%
          HB3   GLU-  29 - HN    GLU-  25   6.91 +/- 0.83   0.654% *  0.0815% (0.15   0.02   0.22) =   0.001%
          QG    GLN   17 - HN    GLU-  25  18.03 +/- 1.57   0.002% *  0.2571% (0.49   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  25  17.77 +/- 1.28   0.002% *  0.1469% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  25  22.53 +/- 0.49   0.000% *  0.4737% (0.90   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    GLU-  25  21.04 +/- 0.30   0.001% *  0.2171% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1147 (2.02, 8.78, 120.28 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 5.92, residual support = 127.5:
      O   HB3   GLU-  25 - HN    GLU-  25   2.75 +/- 0.72  99.673% * 95.9833% (0.57   5.92 127.52) =  99.999%  kept
          HG3   GLN   30 - HN    GLU-  25   9.09 +/- 0.49   0.166% *  0.4783% (0.84   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    GLU-  25   9.70 +/- 0.97   0.136% *  0.3012% (0.53   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU-  25  13.02 +/- 0.37   0.019% *  0.1133% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU-  25  18.57 +/- 0.72   0.002% *  0.4376% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU-  25  19.58 +/- 0.27   0.002% *  0.4376% (0.76   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLU-  25  22.07 +/- 0.73   0.001% *  0.3473% (0.61   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU-  25  25.41 +/- 0.30   0.000% *  0.5713% (1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLU-  25  28.81 +/- 0.42   0.000% *  0.4783% (0.84   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  25  25.68 +/- 0.96   0.000% *  0.1767% (0.31   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  25  24.70 +/- 0.38   0.000% *  0.1428% (0.25   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLU-  25  30.75 +/- 0.47   0.000% *  0.3012% (0.53   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  25  28.24 +/- 0.85   0.000% *  0.1428% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  25  27.19 +/- 0.26   0.000% *  0.0883% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 3.25, residual support = 6.25:
          QG2   THR   23 - HN    GLU-  25   4.17 +/- 0.11  99.704% * 98.6093% (0.73   3.25   6.25) =  99.999%  kept
          QG2   THR   77 - HN    GLU-  25  13.26 +/- 0.38   0.098% *  0.6064% (0.73   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    GLU-  25  12.32 +/- 0.26   0.151% *  0.3134% (0.38   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLU-  25  15.64 +/- 0.40   0.036% *  0.2849% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU-  25  19.02 +/- 0.29   0.011% *  0.1859% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1149 (1.07, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.79, residual support = 35.9:
          QG2   VAL   24 - HN    GLU-  25   3.55 +/- 0.17  99.996% * 99.2743% (0.97   4.79  35.90) = 100.000%  kept
          HG    LEU   63 - HN    GLU-  25  24.32 +/- 1.27   0.001% *  0.3722% (0.87   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    GLU-  25  21.26 +/- 0.38   0.002% *  0.1611% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    GLU-  25  30.73 +/- 0.38   0.000% *  0.1924% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1150 (2.52, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.34, residual support = 127.5:
          HG2   GLU-  25 - HN    GLU-  25   3.73 +/- 0.50  99.936% * 99.4378% (0.97   5.34 127.52) = 100.000%  kept
          HB3   TRP   87 - HN    GLU-  25  13.43 +/- 0.36   0.059% *  0.1192% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   95 - HN    GLU-  25  20.64 +/- 0.34   0.004% *  0.1879% (0.49   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    GLU-  25  31.65 +/- 0.54   0.000% *  0.1587% (0.41   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  25  33.09 +/- 0.42   0.000% *  0.0963% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.81 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 = 65.5:
      O   HA    VAL   24 - HN    VAL   24   2.81 +/- 0.01  99.999% * 99.2921% (0.92   4.34  65.53) = 100.000%  kept
          HA    LYS+  38 - HN    VAL   24  21.00 +/- 0.44   0.001% *  0.2037% (0.41   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    VAL   24  21.78 +/- 0.32   0.000% *  0.2037% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   24  26.23 +/- 0.24   0.000% *  0.3005% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 65.5:
      O   HB    VAL   24 - HN    VAL   24   2.51 +/- 0.18  99.615% * 98.7878% (0.95   4.68  65.53) = 100.000%  kept
          HB3   GLU-  79 - HN    VAL   24   6.82 +/- 0.75   0.374% *  0.0688% (0.15   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    VAL   24  11.54 +/- 0.28   0.012% *  0.4000% (0.90   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    VAL   24  22.63 +/- 0.56   0.000% *  0.4371% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    VAL   24  25.77 +/- 0.28   0.000% *  0.3063% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1153 (1.29, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.44, residual support = 25.2:
          QG2   THR   23 - HN    VAL   24   3.67 +/- 0.16  99.784% * 99.1634% (0.73   5.44  25.16) =  99.999%  kept
          QG2   THR   77 - HN    VAL   24  11.33 +/- 0.38   0.120% *  0.3648% (0.73   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    VAL   24  12.91 +/- 0.20   0.054% *  0.1886% (0.38   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    VAL   24  14.07 +/- 0.41   0.033% *  0.1714% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    VAL   24  17.59 +/- 0.32   0.009% *  0.1119% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1154 (1.10, 9.21, 123.27 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 4.09, residual support = 65.5:
          QG1   VAL   24 - HN    VAL   24   2.04 +/- 0.28  95.990% * 98.7026% (0.90   4.09  65.53) =  99.995%  kept
          QG2   VAL   24 - HN    VAL   24   3.68 +/- 0.04   4.007% *  0.1065% (0.20   0.02  65.53) =   0.005%
          HB3   LEU   31 - HN    VAL   24  12.15 +/- 0.21   0.003% *  0.1198% (0.22   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    VAL   24  20.10 +/- 0.41   0.000% *  0.5335% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL   24  29.73 +/- 0.53   0.000% *  0.4310% (0.80   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    VAL   24  27.16 +/- 0.49   0.000% *  0.1065% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1155 (0.58, 9.21, 123.27 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 3.15, residual support = 10.6:
          QD2   LEU   80 - HN    VAL   24   2.48 +/- 0.46  93.747% * 96.6184% (0.76   3.15  10.63) =  99.991%  kept
          QG1   VAL   83 - HN    VAL   24   4.19 +/- 0.47   6.149% *  0.1237% (0.15   0.02   2.18) =   0.008%
          QD1   LEU   73 - HN    VAL   24   8.49 +/- 0.17   0.088% *  0.7998% (1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    VAL   24  11.47 +/- 0.29   0.014% *  0.1085% (0.14   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    VAL   24  18.24 +/- 0.53   0.001% *  0.7998% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    VAL   24  19.85 +/- 0.63   0.001% *  0.4862% (0.61   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    VAL   24  19.78 +/- 0.63   0.001% *  0.4217% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   24  22.69 +/- 0.44   0.000% *  0.6419% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1156 (3.49, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 5.05, residual support = 23.3:
          HB2   HIS   22 - HN    THR   23   4.43 +/- 0.37  99.978% * 99.6135% (0.99   5.05  23.27) = 100.000%  kept
          HA    LEU   63 - HN    THR   23  21.45 +/- 0.32   0.009% *  0.3326% (0.84   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    THR   23  19.86 +/- 1.35   0.014% *  0.0539% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.77 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 = 5.66, residual support = 23.3:
          HB3   HIS   22 - HN    THR   23   4.07 +/- 0.13  99.985% * 99.7192% (0.76   5.66  23.27) = 100.000%  kept
          HB2   PHE   95 - HN    THR   23  18.51 +/- 0.40   0.011% *  0.0912% (0.20   0.02   0.02) =   0.000%
          HD3   ARG+  54 - HN    THR   23  23.16 +/- 1.29   0.003% *  0.1895% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1158 (2.58, 7.33, 104.59 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 1.93, residual support = 4.02:
          HB3   CYS   21 - HN    THR   23   3.59 +/- 0.57 100.000% *100.0000% (1.00   1.93   4.02) = 100.000%  kept
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1159 (1.49, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.726, support = 2.04, residual support = 13.9:
          QG2   THR   26 - HN    THR   23   4.24 +/- 0.12  98.972% * 94.7776% (0.73   2.04  13.95) =  99.987%  kept
          HB2   LYS+  74 - HN    THR   23   9.20 +/- 0.40   0.999% *  1.2104% (0.95   0.02   0.02) =   0.013%
          HB3   LEU   40 - HN    THR   23  19.56 +/- 0.83   0.011% *  0.9292% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    THR   23  21.05 +/- 1.02   0.007% *  0.8278% (0.65   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   23  24.44 +/- 1.07   0.003% *  0.6228% (0.49   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   23  26.16 +/- 0.77   0.002% *  0.7244% (0.57   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   23  25.55 +/- 0.28   0.002% *  0.6228% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   23  23.07 +/- 0.67   0.004% *  0.2849% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1160 (1.30, 7.33, 104.59 ppm):
    6 chemical-shift based assignments, quality = 0.411, support = 4.79, residual support = 19.3:
          QG2   THR   23 - HN    THR   23   3.40 +/- 0.24  99.795% * 97.7204% (0.41   4.79  19.30) =  99.999%  kept
          QG2   THR   77 - HN    THR   23  10.50 +/- 0.45   0.128% *  0.9575% (0.97   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    THR   23  15.02 +/- 0.45   0.014% *  0.6418% (0.65   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    THR   23  11.90 +/- 0.26   0.059% *  0.1531% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   23  21.69 +/- 0.39   0.002% *  0.3062% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   23  21.10 +/- 0.45   0.002% *  0.2209% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 0.302, support = 2.43, residual support = 10.4:
          QD2   LEU   80 - HN    THR   23   3.07 +/- 0.52  61.248% * 44.2198% (0.20   3.06  10.39) =  58.300%  kept
          QD1   LEU   80 - HN    THR   23   3.46 +/- 1.02  38.078% * 50.8606% (0.45   1.55  10.39) =  41.688%  kept
          QD1   LEU   73 - HN    THR   23   6.63 +/- 0.29   0.617% *  0.7685% (0.53   0.02   0.02) =   0.010%
          QG2   VAL   41 - HN    THR   23  10.45 +/- 0.35   0.037% *  0.9450% (0.65   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    THR   23  12.29 +/- 0.55   0.014% *  0.6549% (0.45   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    THR   23  17.66 +/- 0.66   0.002% *  1.4575% (1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    THR   23  16.10 +/- 0.67   0.004% *  0.7685% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    THR   23  20.72 +/- 0.53   0.001% *  0.3252% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1162 (3.23, 9.10, 120.75 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.45, residual support = 33.5:
      O   HB3   HIS   22 - HN    HIS   22   2.75 +/- 0.34  99.999% * 99.5719% (0.98   3.45  33.47) = 100.000%  kept
          HD3   ARG+  54 - HN    HIS   22  22.11 +/- 1.42   0.001% *  0.4281% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1163 (1.62, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.262, support = 6.45, residual support = 160.6:
          HG3   ARG+  54 - HN    ARG+  54   3.48 +/- 0.34  70.552% * 94.9689% (0.26   6.48 161.14) =  99.669%  kept
          QB    ALA   57 - HN    ARG+  54   4.12 +/- 0.06  27.147% *  0.8062% (0.72   0.02   0.02) =   0.326%
          QB    ALA   57 - HN    ASP-  62   6.30 +/- 0.12   2.127% *  0.1508% (0.14   0.02   0.02) =   0.005%
          HD2   LYS+  74 - HN    ARG+  54  12.17 +/- 0.47   0.042% *  0.4729% (0.42   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ARG+  54  15.64 +/- 0.22   0.009% *  0.8447% (0.76   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ASP-  62  11.79 +/- 1.63   0.076% *  0.0885% (0.08   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ASP-  62  13.74 +/- 0.44   0.020% *  0.1935% (0.17   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HN    ASP-  62  13.81 +/- 0.51   0.020% *  0.0549% (0.05   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ARG+  54  23.57 +/- 0.27   0.001% *  1.0340% (0.93   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ASP-  62  18.13 +/- 0.42   0.004% *  0.1581% (0.14   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ARG+  54  25.39 +/- 0.91   0.001% *  1.0340% (0.93   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ASP-  62  19.50 +/- 1.15   0.003% *  0.1935% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 3.41, residual support = 28.9:
      O   HB2   CYS   21 - HN    CYS   21   2.57 +/- 0.22  99.962% * 99.4024% (0.90   3.41  28.94) = 100.000%  kept
          HB2   PHE   45 - HN    CYS   21  11.06 +/- 0.21   0.018% *  0.1138% (0.18   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    ILE  119  11.29 +/- 0.75   0.017% *  0.0633% (0.10   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    ILE  119  15.52 +/- 0.30   0.002% *  0.0359% (0.06   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    CYS   21  22.04 +/- 0.36   0.000% *  0.2005% (0.31   0.02   0.02) =   0.000%
          HB2   CYS   21 - HN    ILE  119  21.92 +/- 0.42   0.000% *  0.1841% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1166 (2.60, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 3.34, residual support = 28.9:
      O   HB3   CYS   21 - HN    CYS   21   3.57 +/- 0.18  99.948% * 98.9133% (0.53   3.34  28.94) = 100.000%  kept
          HG2   MET   96 - HN    CYS   21  13.71 +/- 0.62   0.032% *  0.6834% (0.61   0.02   0.02) =   0.000%
          HG2   MET   96 - HN    ILE  119  15.25 +/- 0.55   0.018% *  0.2159% (0.19   0.02   0.02) =   0.000%
          HB3   CYS   21 - HN    ILE  119  23.27 +/- 0.42   0.001% *  0.1873% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 0.254, support = 0.0177, residual support = 0.193:
          HG    LEU  123 - HN    ILE  119   6.78 +/- 0.54  61.157% *  3.5886% (0.32   0.02   0.26) =  72.037%  kept
          QB    LYS+  66 - HN    ILE  119   8.54 +/- 0.45  15.718% *  2.1815% (0.19   0.02   0.02) =  11.254%  kept
          HB3   ASP- 105 - HN    ILE  119   8.67 +/- 0.12  13.941% *  1.1101% (0.10   0.02   0.02) =   5.080%  kept
          HB    VAL   41 - HN    CYS   21  12.78 +/- 0.80   1.486% *  9.1141% (0.80   0.02   0.02) =   4.447%
          QB    LYS+  33 - HN    CYS   21  11.63 +/- 0.34   2.465% *  2.5341% (0.22   0.02   0.02) =   2.050%
          HG12  ILE  103 - HN    CYS   21  17.41 +/- 0.73   0.221% * 10.5070% (0.92   0.02   0.02) =   0.761%
          QB    LYS+  66 - HN    CYS   21  16.70 +/- 0.20   0.272% *  6.9036% (0.61   0.02   0.02) =   0.617%
          HG2   PRO   93 - HN    ILE  119  12.68 +/- 0.32   1.450% *  1.2268% (0.11   0.02   0.02) =   0.584%
          HG2   PRO   93 - HN    CYS   21  16.37 +/- 0.40   0.314% *  3.8825% (0.34   0.02   0.02) =   0.400%
          HB3   PRO   52 - HN    CYS   21  19.55 +/- 0.31   0.107% * 11.3569% (1.00   0.02   0.02) =   0.398%
          HB3   PRO   52 - HN    ILE  119  16.54 +/- 0.34   0.291% *  3.5886% (0.32   0.02   0.02) =   0.343%
          HG12  ILE  103 - HN    ILE  119  16.67 +/- 0.42   0.278% *  3.3201% (0.29   0.02   0.02) =   0.303%
          HG2   ARG+  54 - HN    CYS   21  17.84 +/- 0.98   0.196% *  3.8825% (0.34   0.02   0.02) =   0.249%
          HB    VAL   41 - HN    ILE  119  17.02 +/- 0.71   0.252% *  2.8799% (0.25   0.02   0.02) =   0.238%
          HB3   GLN   90 - HN    CYS   21  16.44 +/- 1.08   0.313% *  1.9934% (0.18   0.02   0.02) =   0.205%
          HB3   ASP- 105 - HN    CYS   21  18.37 +/- 0.64   0.157% *  3.5131% (0.31   0.02   0.02) =   0.181%
          HG3   PRO   68 - HN    CYS   21  19.36 +/- 0.22   0.112% *  4.6793% (0.41   0.02   0.02) =   0.172%
          HB    ILE  103 - HN    CYS   21  19.74 +/- 0.51   0.102% *  4.2718% (0.38   0.02   0.02) =   0.143%
          HB    ILE  103 - HN    ILE  119  16.42 +/- 0.31   0.302% *  1.3499% (0.12   0.02   0.02) =   0.134%
          HG3   PRO   68 - HN    ILE  119  16.86 +/- 0.42   0.257% *  1.4786% (0.13   0.02   0.02) =   0.125%
          HG    LEU  123 - HN    CYS   21  25.64 +/- 0.68   0.021% * 11.3569% (1.00   0.02   0.02) =   0.079%
          QB    LYS+ 102 - HN    CYS   21  19.64 +/- 0.41   0.105% *  1.9934% (0.18   0.02   0.02) =   0.068%
          HG2   ARG+  54 - HN    ILE  119  18.52 +/- 0.80   0.152% *  1.2268% (0.11   0.02   0.02) =   0.061%
          QB    LYS+ 102 - HN    ILE  119  17.01 +/- 0.43   0.242% *  0.6299% (0.06   0.02   0.02) =   0.050%
          QB    LYS+  33 - HN    ILE  119  22.68 +/- 0.48   0.044% *  0.8007% (0.07   0.02   0.02) =   0.011%
          HB3   GLN   90 - HN    ILE  119  22.67 +/- 0.94   0.046% *  0.6299% (0.06   0.02   0.02) =   0.010%
    Distance limit 3.87 A violated in 20 structures by 2.45 A, eliminated.
    Peak unassigned.
 
    Peak 1168 (1.13, 7.93, 121.01 ppm):
    14 chemical-shift based assignments, quality = 0.548, support = 5.43, residual support = 137.2:
          HG13  ILE  119 - HN    ILE  119   3.26 +/- 0.50  57.475% * 42.2254% (0.31   7.11 253.31) =  51.418%  kept
          QB    ALA   20 - HN    CYS   21   3.46 +/- 0.05  40.849% * 56.1316% (0.80   3.66  14.31) =  48.580%  kept
          HG2   LYS+ 121 - HN    ILE  119   7.17 +/- 0.23   0.520% *  0.0498% (0.13   0.02   1.18) =   0.001%
          QG2   VAL  107 - HN    ILE  119   6.79 +/- 0.20   0.738% *  0.0270% (0.07   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ILE  119   8.02 +/- 0.41   0.287% *  0.0498% (0.13   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    CYS   21   9.40 +/- 0.44   0.105% *  0.1184% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    CYS   21  12.86 +/- 0.58   0.015% *  0.3701% (0.97   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    CYS   21  14.85 +/- 0.23   0.007% *  0.0854% (0.22   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  20.11 +/- 0.40   0.001% *  0.3759% (0.98   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  19.68 +/- 0.38   0.001% *  0.0970% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  23.16 +/- 0.51   0.000% *  0.1577% (0.41   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  22.84 +/- 0.58   0.000% *  0.1169% (0.30   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  24.24 +/- 0.52   0.000% *  0.1577% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  23.97 +/- 0.99   0.000% *  0.0374% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 0.562, support = 0.0192, residual support = 1.53:
          QD2   LEU   73 - HN    CYS   21   5.53 +/- 0.17  39.960% *  8.8809% (0.57   0.02   3.30) =  46.193%  kept
          QG1   VAL   43 - HN    CYS   21   7.13 +/- 0.61   9.610% * 13.6068% (0.87   0.02   0.02) =  17.021%  kept
          QG2   VAL   18 - HN    CYS   21   7.17 +/- 0.34   8.703% * 10.1476% (0.65   0.02   0.02) =  11.495%  kept
          QD1   ILE   19 - HN    CYS   21   6.03 +/- 0.30  24.426% *  3.4923% (0.22   0.02   0.02) =  11.103%  kept
          QG2   THR   46 - HN    CYS   21   7.05 +/- 0.27   9.445% *  8.2529% (0.53   0.02   0.02) =  10.146%  kept
          HG    LEU   31 - HN    CYS   21  10.35 +/- 0.61   0.993% * 11.3906% (0.73   0.02   0.02) =   1.473%
          QD1   ILE   56 - HN    ILE  119   7.67 +/- 0.15   5.581% *  1.5299% (0.10   0.02   0.02) =   1.111%
          QG1   VAL   41 - HN    CYS   21  11.28 +/- 0.34   0.553% * 15.3758% (0.98   0.02   0.02) =   1.107%
          QG1   VAL   43 - HN    ILE  119  13.60 +/- 0.41   0.183% *  4.2996% (0.27   0.02   0.02) =   0.102%
          QG2   VAL   18 - HN    ILE  119  13.52 +/- 0.75   0.195% *  3.2065% (0.20   0.02   0.02) =   0.082%
          QG1   VAL   41 - HN    ILE  119  15.28 +/- 0.23   0.090% *  4.8586% (0.31   0.02   0.02) =   0.057%
          QD1   ILE   56 - HN    CYS   21  15.79 +/- 0.26   0.073% *  4.8416% (0.31   0.02   0.02) =   0.046%
          QD2   LEU   73 - HN    ILE  119  15.57 +/- 0.40   0.081% *  2.8063% (0.18   0.02   0.02) =   0.030%
          QG2   THR   46 - HN    ILE  119  15.81 +/- 0.89   0.079% *  2.6078% (0.17   0.02   0.02) =   0.027%
          HG    LEU   31 - HN    ILE  119  22.90 +/- 0.80   0.008% *  3.5993% (0.23   0.02   0.02) =   0.004%
          QD1   ILE   19 - HN    ILE  119  19.62 +/- 0.35   0.020% *  1.1035% (0.07   0.02   0.02) =   0.003%
    Distance limit 4.72 A violated in 10 structures by 0.09 A, eliminated.
    Peak unassigned.
 
    Peak 1170 (0.57, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.19, support = 4.41, residual support = 10.3:
          QD2   LEU  115 - HN    ILE  119   3.32 +/- 0.10  76.508% * 15.7112% (0.07   4.83  12.86) =  73.482%  kept
          QD1   LEU   73 - HN    CYS   21   5.22 +/- 0.30   5.361% * 79.9564% (0.53   3.29   3.30) =  26.202%  kept
          QD1   LEU   80 - HN    CYS   21   6.04 +/- 1.53   4.953% *  0.4145% (0.45   0.02   0.02) =   0.126%
          QD2   LEU   63 - HN    ILE  119   5.25 +/- 0.79   6.571% *  0.2915% (0.32   0.02   0.02) =   0.117%
          QD1   LEU   63 - HN    ILE  119   5.68 +/- 0.78   4.052% *  0.1537% (0.17   0.02   0.02) =   0.038%
          QD2   LEU   80 - HN    CYS   21   6.40 +/- 0.87   2.226% *  0.1830% (0.20   0.02   0.02) =   0.025%
          QG2   VAL   41 - HN    CYS   21   9.00 +/- 0.36   0.201% *  0.5981% (0.65   0.02   0.02) =   0.007%
          QD2   LEU   98 - HN    CYS   21  11.44 +/- 0.62   0.049% *  0.4145% (0.45   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    CYS   21  12.44 +/- 0.59   0.030% *  0.4864% (0.53   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    CYS   21  13.94 +/- 0.55   0.015% *  0.9225% (1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    ILE  119  14.76 +/- 0.22   0.010% *  0.1890% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    ILE  119  14.34 +/- 1.06   0.013% *  0.1310% (0.14   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    CYS   21  17.19 +/- 0.56   0.004% *  0.2058% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ILE  119  17.06 +/- 0.36   0.004% *  0.1537% (0.17   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ILE  119  20.93 +/- 1.50   0.001% *  0.1310% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ILE  119  21.29 +/- 0.88   0.001% *  0.0578% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.76 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 = 0.278, support = 5.55, residual support = 35.6:
          HN    THR  118 - HN    ILE  119   2.48 +/- 0.06  97.305% * 95.7196% (0.28   5.55  35.64) =  99.981%  kept
          HN    GLN  116 - HN    ILE  119   4.55 +/- 0.07   2.558% *  0.6531% (0.53   0.02  14.93) =   0.018%
          HN    GLU- 114 - HN    ILE  119   7.83 +/- 0.08   0.099% *  1.1743% (0.95   0.02   0.02) =   0.001%
          HN    PHE   60 - HN    ILE  119   9.65 +/- 0.16   0.028% *  0.1680% (0.14   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    CYS   21  12.52 +/- 0.20   0.006% *  0.3711% (0.30   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ILE  119  17.06 +/- 0.25   0.001% *  1.1743% (0.95   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    CYS   21  14.87 +/- 0.38   0.002% *  0.0531% (0.04   0.02   0.02) =   0.000%
          HN    GLU- 114 - HN    CYS   21  23.57 +/- 0.30   0.000% *  0.3711% (0.30   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    CYS   21  22.88 +/- 0.38   0.000% *  0.2064% (0.17   0.02   0.02) =   0.000%
          HN    THR  118 - HN    CYS   21  22.38 +/- 0.33   0.000% *  0.1091% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 0.32, support = 2.74, residual support = 19.0:
          QE    PHE   59 - HN    ILE  119   3.49 +/- 0.26  90.178% * 41.0587% (0.22   3.00  20.55) =  87.415%  kept
          HN    HIS  122 - HN    ILE  119   5.14 +/- 0.08   9.526% * 55.9367% (1.00   0.91   8.55) =  12.580%  kept
          HN    PHE   59 - HN    ILE  119   9.48 +/- 0.20   0.247% *  0.6961% (0.57   0.02  20.55) =   0.004%
          HH2   TRP   87 - HN    CYS   21  14.16 +/- 0.47   0.023% *  0.3876% (0.32   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE  119  18.91 +/- 0.46   0.004% *  1.2267% (1.00   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    CYS   21  17.42 +/- 0.44   0.006% *  0.2200% (0.18   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    CYS   21  14.94 +/- 0.59   0.015% *  0.0865% (0.07   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    CYS   21  22.18 +/- 0.52   0.001% *  0.3876% (0.32   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 2.86, residual support = 14.3:
          HN    ALA   20 - HN    CYS   21   4.31 +/- 0.05  99.996% * 99.7794% (0.95   2.86  14.31) = 100.000%  kept
          HN    ALA   20 - HN    ILE  119  22.92 +/- 0.28   0.004% *  0.2206% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1175 (7.42, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.89, residual support = 48.6:
        T HN    ALA  120 - HN    ILE  119   2.86 +/- 0.07  98.551% * 98.9432% (1.00   5.89  48.63) =  99.996%  kept
          HE21  GLN  116 - HN    ILE  119   6.10 +/- 0.68   1.373% *  0.2691% (0.80   0.02  14.93) =   0.004%
          HN    ALA   57 - HN    ILE  119  12.82 +/- 0.11   0.012% *  0.2441% (0.73   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    ILE  119  10.90 +/- 0.15   0.033% *  0.0838% (0.25   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    CYS   21  12.74 +/- 2.03   0.023% *  0.0186% (0.06   0.02   0.02) =   0.000%
          HN    ALA   57 - HN    CYS   21  16.69 +/- 0.42   0.003% *  0.0771% (0.23   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    CYS   21  16.96 +/- 2.08   0.003% *  0.0210% (0.06   0.02   0.02) =   0.000%
        T HN    ALA  120 - HN    CYS   21  24.16 +/- 0.40   0.000% *  0.1062% (0.32   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE  119  23.36 +/- 1.93   0.000% *  0.0665% (0.20   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    ILE  119  22.54 +/- 0.92   0.000% *  0.0589% (0.18   0.02   0.02) =   0.000%
          HE21  GLN  116 - HN    CYS   21  24.07 +/- 1.26   0.000% *  0.0850% (0.25   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    CYS   21  26.78 +/- 0.62   0.000% *  0.0265% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 5.51, residual support = 35.6:
          HB    THR  118 - HN    ILE  119   2.92 +/- 0.09  99.951% * 98.1208% (0.98   5.51  35.64) = 100.000%  kept
          QB    SER   13 - HN    CYS   21  15.68 +/- 2.70   0.019% *  0.0834% (0.23   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    CYS   21  15.05 +/- 0.36   0.006% *  0.1030% (0.28   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    CYS   21  13.49 +/- 0.83   0.012% *  0.0472% (0.13   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    ILE  119  18.64 +/- 0.46   0.002% *  0.3258% (0.90   0.02   0.02) =   0.000%
          HB    THR   39 - HN    CYS   21  15.02 +/- 0.35   0.006% *  0.0877% (0.24   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    CYS   21  16.39 +/- 0.56   0.003% *  0.1030% (0.28   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE  119  19.98 +/- 0.42   0.001% *  0.2776% (0.76   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE  119  23.06 +/- 0.80   0.000% *  0.3258% (0.90   0.02   0.02) =   0.000%
          HB    THR  118 - HN    CYS   21  20.18 +/- 0.33   0.001% *  0.1125% (0.31   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE  119  24.92 +/- 1.11   0.000% *  0.2638% (0.73   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ILE  119  28.58 +/- 0.54   0.000% *  0.1494% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1178 (2.26, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.897, support = 7.34, residual support = 253.3:
          HG12  ILE  119 - HN    ILE  119   2.50 +/- 0.17  99.724% * 97.5788% (0.90   7.34 253.31) = 100.000%  kept
          HB3   PHE   72 - HN    CYS   21   8.54 +/- 0.32   0.069% *  0.0904% (0.30   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    CYS   21   9.07 +/- 0.66   0.053% *  0.0840% (0.28   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    ILE  119   7.99 +/- 0.17   0.104% *  0.0401% (0.14   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ILE  119  13.06 +/- 0.64   0.005% *  0.2659% (0.90   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    CYS   21  11.04 +/- 0.60   0.017% *  0.0493% (0.17   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   21  12.53 +/- 1.16   0.008% *  0.0865% (0.29   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ILE  119  15.16 +/- 0.45   0.002% *  0.2861% (0.97   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   21  13.64 +/- 1.63   0.005% *  0.0929% (0.31   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   21  12.83 +/- 1.23   0.007% *  0.0750% (0.25   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ILE  119  19.80 +/- 1.21   0.000% *  0.2938% (0.99   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ILE  119  17.59 +/- 0.70   0.001% *  0.1219% (0.41   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ILE  119  20.07 +/- 1.09   0.000% *  0.2374% (0.80   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   21  20.06 +/- 3.45   0.001% *  0.0320% (0.11   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ILE  119  23.78 +/- 1.16   0.000% *  0.2737% (0.92   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    CYS   21  20.88 +/- 0.67   0.000% *  0.0840% (0.28   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    CYS   21  18.85 +/- 1.04   0.001% *  0.0385% (0.13   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ILE  119  28.45 +/- 0.43   0.000% *  0.1560% (0.53   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    CYS   21  19.60 +/- 0.37   0.000% *  0.0127% (0.04   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ILE  119  29.13 +/- 1.80   0.000% *  0.1011% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 7.51, residual support = 253.3:
      O   HB    ILE  119 - HN    ILE  119   2.27 +/- 0.14  99.712% * 97.4721% (0.92   7.51 253.31) = 100.000%  kept
          HG3   GLN   30 - HN    CYS   21   6.74 +/- 0.68   0.177% *  0.0881% (0.31   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    CYS   21   8.09 +/- 0.41   0.056% *  0.0820% (0.29   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE  119   9.46 +/- 0.50   0.021% *  0.1156% (0.41   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ILE  119  12.25 +/- 0.49   0.004% *  0.2042% (0.73   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    CYS   21  10.51 +/- 0.17   0.011% *  0.0303% (0.11   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ILE  119  13.90 +/- 0.27   0.002% *  0.0959% (0.34   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    CYS   21  11.22 +/- 0.39   0.007% *  0.0176% (0.06   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE  119  17.24 +/- 0.41   0.001% *  0.2042% (0.73   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    CYS   21  13.02 +/- 0.50   0.003% *  0.0303% (0.11   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ILE  119  17.62 +/- 0.22   0.000% *  0.1819% (0.65   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    CYS   21  13.54 +/- 0.44   0.002% *  0.0303% (0.11   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    CYS   21  17.28 +/- 0.26   0.001% *  0.0645% (0.23   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ILE  119  22.27 +/- 0.36   0.000% *  0.2713% (0.97   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ILE  119  22.65 +/- 0.70   0.000% *  0.2595% (0.92   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE  119  19.80 +/- 0.64   0.000% *  0.0959% (0.34   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ILE  119  23.55 +/- 0.73   0.000% *  0.2787% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ILE  119  20.12 +/- 0.40   0.000% *  0.0959% (0.34   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    CYS   21  19.60 +/- 0.70   0.000% *  0.0575% (0.20   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    CYS   21  21.85 +/- 0.70   0.000% *  0.0857% (0.30   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   21  21.20 +/- 0.65   0.000% *  0.0645% (0.23   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    CYS   21  22.87 +/- 0.43   0.000% *  0.0820% (0.29   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    CYS   21  22.75 +/- 0.35   0.000% *  0.0365% (0.13   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE  119  30.98 +/- 0.39   0.000% *  0.0556% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.939, support = 6.88, residual support = 237.7:
          HG13  ILE  119 - HN    ILE  119   3.26 +/- 0.50  55.928% * 89.9669% (0.99   7.11 253.31) =  93.476%  kept
          QB    ALA   20 - HN    CYS   21   3.46 +/- 0.05  39.226% *  8.9453% (0.19   3.66  14.31) =   6.519%  kept
          QG1   VAL  107 - HN    ILE  119   5.12 +/- 0.20   3.948% *  0.0505% (0.20   0.02   0.02) =   0.004%
          HD3   LYS+ 112 - HN    ILE  119   8.02 +/- 0.41   0.276% *  0.1549% (0.61   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    ILE  119   7.17 +/- 0.23   0.499% *  0.0637% (0.25   0.02   1.18) =   0.001%
          QG1   VAL   24 - HN    CYS   21   9.40 +/- 0.44   0.101% *  0.0393% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    CYS   21  12.86 +/- 0.58   0.015% *  0.0805% (0.32   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  19.68 +/- 0.38   0.001% *  0.1549% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  22.84 +/- 0.58   0.000% *  0.2548% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  20.11 +/- 0.40   0.001% *  0.0800% (0.31   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    CYS   21  16.17 +/- 0.27   0.004% *  0.0160% (0.06   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  23.97 +/- 0.99   0.000% *  0.1243% (0.49   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  23.16 +/- 0.51   0.000% *  0.0489% (0.19   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  24.24 +/- 0.52   0.000% *  0.0201% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.338, support = 0.0186, residual support = 5.08:
          HG3   LYS+  74 - HN    CYS   21   5.18 +/- 0.53  70.021% *  3.7747% (0.23   0.02   7.90) =  59.267%  kept
          QD1   LEU   67 - HN    ILE  119   8.10 +/- 0.31   5.220% * 15.1858% (0.92   0.02   0.02) =  17.776%  kept
          HB    VAL   75 - HN    CYS   21   6.58 +/- 0.19  17.852% *  3.9726% (0.24   0.02   2.50) =  15.902%  kept
          QD2   LEU   40 - HN    ILE  119  10.92 +/- 0.37   0.854% * 15.5616% (0.95   0.02   0.02) =   2.982%
          QG2   ILE  103 - HN    ILE  119  11.71 +/- 0.26   0.557% * 13.7407% (0.84   0.02   0.02) =   1.716%
          QD2   LEU   71 - HN    CYS   21   8.52 +/- 0.94   4.383% *  1.2962% (0.08   0.02   0.02) =   1.274%
          QD2   LEU   40 - HN    CYS   21  13.28 +/- 0.51   0.272% *  4.9173% (0.30   0.02   0.02) =   0.300%
          QD1   LEU   67 - HN    CYS   21  13.22 +/- 0.18   0.263% *  4.7985% (0.29   0.02   0.02) =   0.283%
          QD1   ILE  103 - HN    ILE  119  13.74 +/- 0.77   0.224% *  2.8810% (0.18   0.02   0.02) =   0.145%
          HB    VAL   75 - HN    ILE  119  18.59 +/- 0.57   0.035% * 12.5720% (0.76   0.02   0.02) =   0.099%
          HG3   LYS+  74 - HN    ILE  119  19.23 +/- 0.86   0.032% * 11.9456% (0.73   0.02   0.02) =   0.086%
          QG2   ILE  103 - HN    CYS   21  16.12 +/- 0.45   0.083% *  4.3419% (0.26   0.02   0.02) =   0.081%
          QD2   LEU   71 - HN    ILE  119  16.62 +/- 0.35   0.067% *  4.1020% (0.25   0.02   0.02) =   0.062%
          QD1   ILE  103 - HN    CYS   21  14.87 +/- 0.57   0.135% *  0.9104% (0.06   0.02   0.02) =   0.028%
    Distance limit 3.78 A violated in 20 structures by 1.14 A, eliminated.
    Peak unassigned.
 
    Peak 1182 (0.21, 7.92, 121.27 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 6.58, residual support = 35.6:
          QG2   THR  118 - HN    ILE  119   3.62 +/- 0.05  99.986% * 99.9040% (0.57   6.58  35.64) = 100.000%  kept
          QG2   THR  118 - HN    CYS   21  15.83 +/- 0.32   0.014% *  0.0960% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.54 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 = 0.813, support = 3.18, residual support = 40.6:
          QB    ALA  120 - HN    ILE  119   4.32 +/- 0.05  49.409% * 57.5474% (0.80   3.76  48.63) =  77.525%  kept
          HG    LEU  115 - HN    ILE  119   4.95 +/- 0.66  27.296% * 19.1177% (0.80   1.25  12.86) =  14.228%  kept
          HB3   LEU  115 - HN    ILE  119   5.35 +/- 0.28  14.391% * 20.9715% (0.95   1.16  12.86) =   8.229%  kept
          HG    LEU   73 - HN    CYS   21   6.57 +/- 1.08   7.573% *  0.0589% (0.15   0.02   3.30) =   0.012%
          QG    LYS+  66 - HN    ILE  119   8.71 +/- 0.50   0.790% *  0.1181% (0.31   0.02   0.02) =   0.003%
          HG    LEU   67 - HN    ILE  119  10.83 +/- 0.94   0.234% *  0.3794% (0.99   0.02   0.02) =   0.002%
          HG    LEU   40 - HN    ILE  119  13.49 +/- 0.30   0.053% *  0.3621% (0.95   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    ILE  119  14.56 +/- 0.29   0.034% *  0.2167% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ILE  119  12.27 +/- 0.57   0.100% *  0.0670% (0.18   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    CYS   21  15.61 +/- 1.44   0.025% *  0.1144% (0.30   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  16.96 +/- 0.43   0.013% *  0.1199% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  19.74 +/- 1.88   0.007% *  0.2322% (0.61   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  18.84 +/- 0.95   0.008% *  0.1863% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    CYS   21  16.47 +/- 0.86   0.017% *  0.0685% (0.18   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  18.92 +/- 0.72   0.007% *  0.1144% (0.30   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    CYS   21  15.54 +/- 0.47   0.023% *  0.0212% (0.06   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    CYS   21  20.41 +/- 1.02   0.004% *  0.0968% (0.25   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    CYS   21  17.60 +/- 0.46   0.011% *  0.0373% (0.10   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    CYS   21  22.10 +/- 0.33   0.003% *  0.0968% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  22.42 +/- 0.81   0.003% *  0.0734% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 0.998, support = 1.75, residual support = 2.5:
          QG2   VAL   75 - HN    CYS   21   4.27 +/- 0.15  98.668% * 98.2432% (1.00   1.75   2.50) =  99.992%  kept
          QG2   VAL   42 - HN    CYS   21  11.20 +/- 1.03   0.448% *  1.0652% (0.95   0.02   0.02) =   0.005%
          QG2   VAL   42 - HN    ILE  119   9.48 +/- 0.43   0.851% *  0.3366% (0.30   0.02   0.02) =   0.003%
          QG2   VAL   75 - HN    ILE  119  16.24 +/- 0.27   0.033% *  0.3550% (0.32   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1185 (1.15, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.74, residual support = 15.2:
      O   QB    ALA   20 - HN    ALA   20   2.20 +/- 0.08  99.998% * 98.1184% (0.84   3.74  15.24) = 100.000%  kept
          QG2   VAL  107 - HN    ALA   20  16.90 +/- 0.21   0.000% *  0.5639% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ALA   20  14.31 +/- 0.52   0.001% *  0.1941% (0.31   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ALA   20  19.40 +/- 0.60   0.000% *  0.2819% (0.45   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ALA   20  20.80 +/- 0.35   0.000% *  0.2145% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    ALA   20  25.02 +/- 0.51   0.000% *  0.6273% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1186 (0.69, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.69, residual support = 25.5:
          QG2   ILE   19 - HN    ALA   20   2.40 +/- 0.14  99.998% * 99.7552% (0.99   3.69  25.51) = 100.000%  kept
          QD1   LEU   98 - HN    ALA   20  15.20 +/- 0.84   0.002% *  0.2448% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1187 (2.00, 8.93, 131.32 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.76, residual support = 170.0:
      O   HB    ILE   19 - HN    ILE   19   2.15 +/- 0.07  99.732% * 97.9628% (0.97   5.76 169.98) =  99.999%  kept
          HB2   GLN   17 - HN    ILE   19   5.95 +/- 0.14   0.224% *  0.2560% (0.73   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    ILE   19   8.12 +/- 0.45   0.036% *  0.2560% (0.73   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ILE   19  13.08 +/- 0.28   0.002% *  0.3254% (0.92   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE   19  11.24 +/- 0.30   0.005% *  0.1203% (0.34   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE   19  15.23 +/- 0.61   0.001% *  0.3162% (0.90   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ILE   19  18.66 +/- 0.21   0.000% *  0.3494% (0.99   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    ILE   19  18.06 +/- 0.31   0.000% *  0.0980% (0.28   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    ILE   19  18.56 +/- 0.51   0.000% *  0.0879% (0.25   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE   19  22.23 +/- 0.33   0.000% *  0.2281% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1188 (1.43, 8.93, 131.32 ppm):
    14 chemical-shift based assignments, quality = 0.726, support = 6.08, residual support = 169.9:
          HG12  ILE   19 - HN    ILE   19   3.51 +/- 0.32  86.382% * 96.6907% (0.73   6.08 169.98) =  99.955%  kept
          HG    LEU   73 - HN    ILE   19   5.40 +/- 0.68   9.199% *  0.3507% (0.80   0.02   5.32) =   0.039%
          HB3   LYS+  74 - HN    ILE   19   6.03 +/- 0.22   3.733% *  0.0767% (0.18   0.02   8.34) =   0.003%
          QB    ALA   61 - HN    ILE   19   9.56 +/- 0.29   0.231% *  0.4226% (0.97   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ILE   19  10.15 +/- 0.49   0.171% *  0.4379% (1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    ILE   19  12.94 +/- 1.04   0.044% *  0.3658% (0.84   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ILE   19  13.17 +/- 0.36   0.035% *  0.4143% (0.95   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE   19  11.63 +/- 1.32   0.082% *  0.1352% (0.31   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ILE   19  11.78 +/- 0.41   0.069% *  0.0975% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE   19  13.78 +/- 0.93   0.029% *  0.1352% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ILE   19  15.85 +/- 0.26   0.011% *  0.3507% (0.80   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ILE   19  17.23 +/- 0.71   0.007% *  0.1352% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE   19  20.69 +/- 0.89   0.002% *  0.3008% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ILE   19  18.71 +/- 0.67   0.004% *  0.0867% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 1 structures by 0.03 A, kept.
 
    Peak 1189 (1.24, 8.93, 131.32 ppm):
    11 chemical-shift based assignments, quality = 0.964, support = 5.76, residual support = 169.8:
          HG13  ILE   19 - HN    ILE   19   3.44 +/- 0.19  81.735% * 97.9480% (0.97   5.76 169.98) =  99.923%  kept
          HG    LEU   71 - HN    ILE   19   4.68 +/- 0.61  16.346% *  0.3454% (0.98   0.02   0.02) =   0.070%
          HG2   LYS+  74 - HN    ILE   19   7.18 +/- 0.48   1.207% *  0.3493% (0.99   0.02   8.34) =   0.005%
          QG2   THR   39 - HN    ILE   19   8.95 +/- 0.37   0.273% *  0.2421% (0.69   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    ILE   19   8.52 +/- 0.35   0.368% *  0.0477% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ILE   19  12.02 +/- 0.18   0.047% *  0.0879% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   19  16.18 +/- 1.28   0.008% *  0.3516% (1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ILE   19  18.01 +/- 0.33   0.004% *  0.2421% (0.69   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    ILE   19  16.47 +/- 0.26   0.007% *  0.1323% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   19  18.43 +/- 0.62   0.004% *  0.1449% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   19  22.74 +/- 0.23   0.001% *  0.1088% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1190 (0.84, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 4.85, residual support = 22.0:
          QG1   VAL   18 - HN    ILE   19   2.51 +/- 0.17  96.902% * 96.3913% (0.34   4.85  22.00) =  99.974%  kept
          QD1   LEU   71 - HN    ILE   19   5.30 +/- 0.71   3.052% *  0.8007% (0.69   0.02   0.02) =   0.026%
          QG1   VAL   70 - HN    ILE   19   9.23 +/- 0.21   0.043% *  0.5226% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  123 - HN    ILE   19  16.12 +/- 0.49   0.002% *  0.8007% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    ILE   19  17.28 +/- 0.34   0.001% *  1.1249% (0.97   0.02   0.02) =   0.000%
          QD2   LEU  123 - HN    ILE   19  18.34 +/- 0.45   0.001% *  0.3598% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1191 (0.75, 8.93, 131.32 ppm):
    8 chemical-shift based assignments, quality = 0.721, support = 4.29, residual support = 53.1:
          QG2   VAL   18 - HN    ILE   19   3.97 +/- 0.20  14.807% * 57.4998% (0.97   4.85  22.00) =  56.316%  kept
          QD1   ILE   19 - HN    ILE   19   4.31 +/- 0.22   9.394% * 37.5268% (0.57   5.39 169.98) =  23.319%  kept
          QD2   LEU   73 - HN    ILE   19   2.99 +/- 0.41  74.969% *  4.1040% (0.22   1.50   5.32) =  20.351%  kept
          QG1   VAL   43 - HN    ILE   19   6.90 +/- 0.86   0.627% *  0.2436% (0.99   0.02   0.02) =   0.010%
          QG1   VAL   41 - HN    ILE   19   9.26 +/- 0.30   0.089% *  0.2204% (0.90   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    ILE   19   9.67 +/- 0.51   0.073% *  0.2204% (0.90   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    ILE   19  11.29 +/- 0.88   0.036% *  0.0838% (0.34   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ILE   19  15.36 +/- 0.52   0.004% *  0.1010% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1192 (1.43, 8.71, 131.46 ppm):
    14 chemical-shift based assignments, quality = 0.725, support = 4.4, residual support = 25.5:
          HG12  ILE   19 - HN    ALA   20   4.51 +/- 0.64  62.960% * 95.4909% (0.73   4.41  25.51) =  99.899%  kept
          HB3   LYS+  74 - HN    ALA   20   5.13 +/- 0.25  31.122% *  0.1045% (0.18   0.02   8.15) =   0.054%
          HG    LEU   73 - HN    ALA   20   7.66 +/- 1.22   5.125% *  0.4778% (0.80   0.02   0.02) =   0.041%
          QB    ALA   61 - HN    ALA   20  11.59 +/- 0.32   0.229% *  0.5759% (0.97   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    ALA   20  11.57 +/- 1.06   0.246% *  0.4984% (0.84   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ALA   20  14.69 +/- 0.50   0.056% *  0.5967% (1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ALA   20  12.68 +/- 0.85   0.138% *  0.1842% (0.31   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA   20  16.78 +/- 0.46   0.025% *  0.5645% (0.95   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   20  17.57 +/- 0.30   0.019% *  0.4778% (0.80   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   20  15.91 +/- 1.30   0.037% *  0.1842% (0.31   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   20  16.32 +/- 0.42   0.029% *  0.1329% (0.22   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   20  20.67 +/- 0.70   0.007% *  0.1842% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   20  23.98 +/- 0.82   0.003% *  0.4099% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   20  23.10 +/- 0.65   0.004% *  0.1181% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.00 A violated in 7 structures by 0.06 A, kept.
 
    Peak 1193 (1.43, 7.93, 121.01 ppm):
    28 chemical-shift based assignments, quality = 0.174, support = 2.45, residual support = 7.83:
          HB3   LYS+  74 - HN    CYS   21   2.88 +/- 0.32  93.845% * 57.1056% (0.18   2.47   7.90) =  99.124%  kept
          HB3   LEU  115 - HN    ILE  119   5.35 +/- 0.28   2.813% * 14.8874% (0.10   1.16  12.86) =   0.774%
          HG    LEU   73 - HN    CYS   21   6.57 +/- 1.08   1.517% *  2.1103% (0.80   0.02   3.30) =   0.059%
          HG    LEU   80 - HN    CYS   21   7.63 +/- 1.14   0.453% *  2.2013% (0.84   0.02   0.02) =   0.018%
          HG12  ILE   19 - HN    CYS   21   7.43 +/- 0.33   0.386% *  1.9138% (0.73   0.02   0.02) =   0.014%
          HB2   LEU   80 - HN    CYS   21   8.62 +/- 0.96   0.194% *  0.8134% (0.31   0.02   0.02) =   0.003%
          QG    LYS+  66 - HN    ILE  119   8.71 +/- 0.50   0.150% *  0.7878% (0.30   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HN    ILE  119   7.58 +/- 0.59   0.435% *  0.1648% (0.06   0.02   1.18) =   0.001%
          QB    ALA   61 - HN    CYS   21  12.00 +/- 0.31   0.022% *  2.5434% (0.97   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ILE  119  10.46 +/- 0.27   0.048% *  0.6668% (0.25   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    ILE  119  11.33 +/- 0.25   0.030% *  0.8037% (0.30   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ILE  119  12.27 +/- 0.57   0.019% *  0.8328% (0.32   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    CYS   21  15.54 +/- 0.47   0.004% *  2.6355% (1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    CYS   21  15.45 +/- 0.32   0.005% *  2.1103% (0.80   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ILE  119  10.83 +/- 0.94   0.050% *  0.1854% (0.07   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    CYS   21  17.60 +/- 0.46   0.002% *  2.4931% (0.95   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    CYS   21  15.61 +/- 1.44   0.006% *  0.8134% (0.31   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE  119  13.49 +/- 0.30   0.011% *  0.2570% (0.10   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  16.96 +/- 0.43   0.003% *  0.5867% (0.22   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  18.92 +/- 0.72   0.001% *  0.8134% (0.31   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  18.84 +/- 0.95   0.001% *  0.6668% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  22.42 +/- 0.81   0.001% *  1.8103% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  19.74 +/- 1.88   0.001% *  0.5720% (0.22   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE  119  21.74 +/- 0.61   0.001% *  0.6047% (0.23   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    CYS   21  22.16 +/- 0.62   0.001% *  0.5216% (0.20   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE  119  24.83 +/- 1.09   0.000% *  0.6956% (0.26   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ILE  119  20.21 +/- 0.50   0.001% *  0.1458% (0.06   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE  119  24.64 +/- 0.99   0.000% *  0.2570% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1194 (2.19, 7.45, 112.50 ppm):
    7 chemical-shift based assignments, quality = 0.485, support = 3.17, residual support = 83.5:
      O   QG    GLN   17 - HE21  GLN   17   2.21 +/- 0.10  99.995% * 97.5015% (0.48   3.17  83.55) = 100.000%  kept
          HB    VAL   70 - HE21  GLN   17  12.56 +/- 0.91   0.004% *  0.5435% (0.43   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HE21  GLN   17  20.29 +/- 2.64   0.000% *  0.7175% (0.57   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HE21  GLN   17  19.43 +/- 3.31   0.001% *  0.2491% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HE21  GLN   17  21.65 +/- 1.44   0.000% *  0.6507% (0.51   0.02   0.02) =   0.000%
          HB2   MET   96 - HE21  GLN   17  19.52 +/- 1.29   0.000% *  0.1995% (0.16   0.02   0.02) =   0.000%
          HB2   GLN   90 - HE21  GLN   17  27.57 +/- 1.76   0.000% *  0.1383% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.50 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 = 5.66, residual support = 51.2:
        T HN    VAL   18 - HN    GLN   17   4.41 +/- 0.02  98.983% * 99.6669% (0.73   5.66  51.20) =  99.997%  kept
          HN    SER   13 - HN    GLN   17  10.18 +/- 1.23   1.017% *  0.3331% (0.69   0.02   0.02) =   0.003%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1196 (7.68, 8.27, 122.56 ppm):
    3 chemical-shift based assignments, quality = 0.891, support = 5.66, residual support = 51.2:
        T HN    GLN   17 - HN    VAL   18   4.41 +/- 0.02  99.789% * 99.2446% (0.89   5.66  51.20) =  99.999%  kept
          HD21  ASN   69 - HN    VAL   18  12.44 +/- 0.45   0.203% *  0.3789% (0.96   0.02   0.02) =   0.001%
          HN    TRP   87 - HN    VAL   18  21.23 +/- 0.32   0.008% *  0.3764% (0.96   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1197 (8.46, 8.93, 131.32 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.98, residual support = 8.34:
        T HN    LYS+  74 - HN    ILE   19   4.33 +/- 0.13  99.734% * 97.4378% (0.41   3.98   8.34) =  99.998%  kept
          HN    THR   46 - HN    ILE   19  11.97 +/- 0.23   0.225% *  0.9942% (0.84   0.02   0.02) =   0.002%
          HN    MET   92 - HN    ILE   19  19.73 +/- 0.36   0.011% *  1.1487% (0.97   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE   19  19.92 +/- 2.96   0.026% *  0.1837% (0.15   0.02   0.02) =   0.000%
          HN    ASP- 113 - HN    ILE   19  23.50 +/- 0.20   0.004% *  0.2356% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1198 (8.11, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 2.88, residual support = 2.74:
          HN    THR   26 - HN    VAL   24   4.48 +/- 0.05  76.456% * 99.4355% (0.87   2.88   2.74) =  99.951%  kept
          HN    LEU   80 - HN    VAL   24   5.52 +/- 0.42  23.477% *  0.1577% (0.20   0.02  10.63) =   0.049%
          HN    ALA   34 - HN    VAL   24  14.74 +/- 0.17   0.061% *  0.1078% (0.14   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    VAL   24  21.52 +/- 0.45   0.006% *  0.2990% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1199 (7.33, 9.21, 123.27 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 4.38, residual support = 25.2:
          HN    THR   23 - HN    VAL   24   4.32 +/- 0.03  96.300% * 98.2423% (0.98   4.38  25.16) =  99.990%  kept
          HE3   TRP   27 - HN    VAL   24   8.11 +/- 0.31   2.270% *  0.3497% (0.76   0.02  24.59) =   0.008%
          HD2   HIS   22 - HN    VAL   24   8.78 +/- 0.30   1.396% *  0.1019% (0.22   0.02   0.02) =   0.002%
          QE    PHE   95 - HN    VAL   24  18.41 +/- 0.25   0.016% *  0.4535% (0.99   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    VAL   24  19.36 +/- 0.50   0.012% *  0.1561% (0.34   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    VAL   24  24.10 +/- 0.21   0.003% *  0.3143% (0.69   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    VAL   24  25.42 +/- 0.42   0.002% *  0.3822% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.76 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 = 6.25:
          HE1   TRP   87 - HE1   TRP   27   2.52 +/- 0.42 100.000% *100.0000% (0.53   0.75   6.25) = 100.000%  kept
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1202 (8.08, 8.36, 120.50 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.94, residual support = 18.4:
        T HN    ALA   34 - HN    ASN   35   2.66 +/- 0.05  96.400% * 98.7863% (0.98   3.94  18.37) =  99.990%  kept
          HN    GLN   32 - HN    ASN   35   4.61 +/- 0.07   3.599% *  0.2691% (0.53   0.02   6.98) =   0.010%
        T HN    LEU   80 - HN    ASN   35  19.35 +/- 0.51   0.001% *  0.4721% (0.92   0.02   0.02) =   0.000%
          HN    SER   85 - HN    ASN   35  19.86 +/- 0.43   0.001% *  0.1012% (0.20   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    ASN   35  27.24 +/- 0.39   0.000% *  0.3714% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1203 (7.91, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.97, residual support = 19.3:
        T HN    SER   37 - HN    GLU-  36   2.49 +/- 0.08  99.999% * 98.8476% (0.98   3.97  19.34) = 100.000%  kept
          HN    CYS   21 - HN    GLU-  36  17.21 +/- 0.39   0.001% *  0.2087% (0.41   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    GLU-  36  22.44 +/- 0.46   0.000% *  0.5032% (0.99   0.02   0.02) =   0.000%
          HN    ILE  119 - HN    GLU-  36  25.76 +/- 0.24   0.000% *  0.4404% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 4.71, residual support = 15.2:
        T HN    LYS+  38 - HN    THR   39   2.79 +/- 0.04  99.947% * 99.4473% (1.00   4.71  15.15) = 100.000%  kept
          HN    LEU   31 - HN    THR   39   9.87 +/- 0.24   0.052% *  0.1177% (0.28   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    THR   39  20.42 +/- 0.52   0.001% *  0.1444% (0.34   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    THR   39  28.45 +/- 0.36   0.000% *  0.2907% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1205 (9.33, 9.16, 125.94 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 4.0, residual support = 16.4:
          HN    MET   96 - HN    VAL   43   2.59 +/- 0.15  99.891% * 99.8546% (0.76   4.00  16.41) = 100.000%  kept
          HN    PHE   72 - HN    VAL   43   8.16 +/- 0.19   0.109% *  0.1454% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1206 (8.97, 8.78, 123.55 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 2.52, residual support = 2.46:
          HN    LEU   73 - HN    ASP-  44   3.98 +/- 0.20  95.883% * 97.1779% (0.38   2.52   2.46) =  99.964%  kept
          HN    VAL   42 - HN    ASP-  44   6.78 +/- 0.16   3.999% *  0.7714% (0.38   0.02   0.02) =   0.033%
          HN    LYS+ 106 - HN    ASP-  44  12.23 +/- 0.18   0.118% *  2.0508% (1.00   0.02   0.02) =   0.003%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1207 (8.97, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 5.69, residual support = 35.1:
          HN    VAL   42 - HN    VAL   43   4.37 +/- 0.10  63.376% * 71.0535% (0.38   6.40  40.83) =  81.594%  kept
          HN    LEU   73 - HN    VAL   43   4.84 +/- 0.32  35.807% * 28.3560% (0.38   2.55   9.57) =  18.398%  kept
          HN    LYS+ 106 - HN    VAL   43   9.05 +/- 0.19   0.817% *  0.5905% (1.00   0.02   0.02) =   0.009%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1208 (7.58, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.791, support = 0.0198, residual support = 0.0198:
          HN    LEU   63 - HN    ASP-  44   9.70 +/- 0.41  55.565% * 15.3753% (0.65   0.02   0.02) =  46.842%  kept
          HN    ALA   84 - HN    ASP-  44  11.70 +/- 0.37  18.488% * 23.7147% (1.00   0.02   0.02) =  24.040%  kept
          HN    ILE   56 - HN    ASP-  44  12.14 +/- 0.28  14.428% * 18.1638% (0.76   0.02   0.02) =  14.369%  kept
          HN    LYS+ 111 - HN    ASP-  44  12.78 +/- 0.24  10.628% * 23.7147% (1.00   0.02   0.02) =  13.819%  kept
          HE21  GLN   32 - HN    ASP-  44  19.76 +/- 1.33   0.891% * 19.0315% (0.80   0.02   0.02) =   0.930%
    Distance limit 4.47 A violated in 20 structures by 4.33 A, eliminated.
    Peak unassigned.
 
    Peak 1209 (7.26, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.41, support = 0.748, residual support = 3.1:
          QD    PHE   60 - HN    ASP-  44   4.63 +/- 0.06  95.391% * 85.8530% (0.41   0.75   3.11) =  99.727%  kept
          QE    PHE   59 - HN    ASP-  44   8.06 +/- 0.56   3.787% *  5.1407% (0.92   0.02   0.02) =   0.237%
          HN    LYS+  66 - HN    ASP-  44  12.03 +/- 0.36   0.317% *  4.9943% (0.90   0.02   0.02) =   0.019%
          HN    PHE   59 - HN    ASP-  44  11.59 +/- 0.30   0.395% *  3.1528% (0.57   0.02   0.02) =   0.015%
          HN    LYS+  81 - HN    ASP-  44  14.28 +/- 0.28   0.112% *  0.8592% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1210 (7.68, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.668, support = 0.0196, residual support = 0.0196:
          HN    GLN   17 - HN    ASP-  62  12.42 +/- 0.28  65.408% * 29.1578% (0.63   0.02   0.02) =  60.533%  kept
          HD21  ASN   69 - HN    ASP-  62  14.08 +/- 1.14  32.694% * 36.0114% (0.77   0.02   0.02) =  37.369%  kept
          HN    TRP   87 - HN    ASP-  62  22.41 +/- 0.33   1.898% * 34.8308% (0.75   0.02   0.02) =   2.099%
    Distance limit 3.62 A violated in 20 structures by 7.97 A, eliminated.
    Peak unassigned.
 
    Peak 1211 (7.57, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.324, support = 5.74, residual support = 41.7:
        T HN    LEU   63 - HN    ASP-  62   2.45 +/- 0.06  99.962% * 97.1156% (0.32   5.74  41.72) = 100.000%  kept
        T HN    ILE   56 - HN    ASP-  62   9.32 +/- 0.11   0.034% *  0.4385% (0.42   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    ASP-  62  13.43 +/- 0.27   0.004% *  0.7814% (0.75   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ASP-  62  21.92 +/- 0.42   0.000% *  0.7814% (0.75   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ASP-  62  28.34 +/- 0.98   0.000% *  0.8830% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.912, support = 0.0198, residual support = 0.0198:
          HN    PHE   45 - HN    LEU   73   7.83 +/- 0.17  98.920% * 48.0011% (0.92   0.02   0.02) =  98.831%  kept
          HN    ALA  110 - HN    LEU   73  16.65 +/- 0.36   1.080% * 51.9989% (1.00   0.02   0.02) =   1.169%
    Distance limit 4.22 A violated in 20 structures by 3.61 A, eliminated.
    Peak unassigned.
 
    Peak 1213 (8.51, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.456, support = 3.73, residual support = 18.1:
          HN    VAL   75 - HN    ASP-  76   4.35 +/- 0.09  66.683% * 42.8727% (0.28   4.64  26.68) =  60.243%  kept
          HN    ASP-  78 - HN    ASP-  76   4.90 +/- 0.16  33.308% * 56.6443% (0.73   2.35   5.14) =  39.757%  kept
          HN    LYS+ 112 - HN    ASP-  76  20.60 +/- 0.30   0.006% *  0.2981% (0.45   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ASP-  76  29.04 +/- 4.36   0.002% *  0.1849% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1214 (7.57, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.34, residual support = 25.5:
        T HN    LYS+ 111 - HN    LYS+ 112   4.33 +/- 0.02  98.050% * 98.8443% (0.87   5.34  25.46) =  99.996%  kept
          HN    ILE   56 - HN    LYS+ 112   8.42 +/- 0.17   1.846% *  0.2076% (0.49   0.02   7.38) =   0.004%
          HN    LEU   63 - HN    LYS+ 112  13.74 +/- 0.30   0.098% *  0.1601% (0.38   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    LYS+ 112  22.08 +/- 0.31   0.006% *  0.3700% (0.87   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    LYS+ 112  34.31 +/- 1.48   0.000% *  0.4181% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.83 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 = 0.365, support = 0.0194, residual support = 0.0194:
          QD    PHE   55 - HN    GLN  116   8.56 +/- 0.68  82.699% * 11.5373% (0.28   0.02   0.02) =  71.136%  kept
          QD    PHE   60 - HN    GLN  116  11.80 +/- 0.36  12.901% * 26.8436% (0.65   0.02   0.02) =  25.820%  kept
          HN    LYS+  66 - HN    GLN  116  14.39 +/- 0.50   4.035% *  8.2119% (0.20   0.02   0.02) =   2.471%
          HN    LYS+  81 - HN    GLN  116  26.45 +/- 0.38   0.101% * 39.2529% (0.95   0.02   0.02) =   0.295%
          HE3   TRP   27 - HN    GLN  116  22.52 +/- 0.39   0.264% * 14.1544% (0.34   0.02   0.02) =   0.278%
    Distance limit 4.56 A violated in 20 structures by 3.78 A, eliminated.
    Peak unassigned.
 
    Peak 1216 (3.69, 7.43, 118.69 ppm):
    7 chemical-shift based assignments, quality = 0.779, support = 4.94, residual support = 40.6:
      O   HA    ILE  119 - HN    ALA  120   3.63 +/- 0.01  75.890% * 60.7840% (0.80   5.15  48.63) =  83.252%  kept
          HA    THR  118 - HN    ALA  120   4.40 +/- 0.13  24.068% * 38.5551% (0.67   3.90   0.65) =  16.748%  kept
          HD3   PRO   58 - HN    ALA  120  13.34 +/- 0.16   0.031% *  0.0539% (0.18   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ALA  120  16.36 +/- 0.23   0.009% *  0.1119% (0.38   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  120  23.95 +/- 0.40   0.001% *  0.1651% (0.56   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  120  26.05 +/- 0.17   0.001% *  0.2180% (0.74   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  120  23.32 +/- 0.33   0.001% *  0.1119% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1217 (4.24, 7.43, 118.69 ppm):
    5 chemical-shift based assignments, quality = 0.921, support = 1.03, residual support = 5.3:
          HA    SER  117 - HN    ALA  120   3.76 +/- 0.06  99.880% * 96.4660% (0.92   1.03   5.30) =  99.999%  kept
          HA    ASP-  62 - HN    ALA  120  12.03 +/- 0.50   0.096% *  0.9908% (0.49   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    ALA  120  15.38 +/- 0.15   0.021% *  0.7742% (0.38   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA  120  28.97 +/- 0.65   0.000% *  1.4392% (0.71   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA  120  23.11 +/- 0.20   0.002% *  0.3298% (0.16   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1218 (2.48, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.08, residual support = 115.0:
      O   HG3   GLN  116 - HE21  GLN  116   3.10 +/- 0.25  99.997% * 99.1226% (0.69   4.08 114.99) = 100.000%  kept
          HG3   MET   96 - HE21  GLN  116  18.76 +/- 0.74   0.002% *  0.1575% (0.22   0.02   0.02) =   0.000%
          HB3   TRP   87 - HE21  GLN  116  22.93 +/- 0.98   0.001% *  0.4291% (0.61   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HE21  GLN  116  32.51 +/- 1.36   0.000% *  0.2908% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.86 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 = 0.542, support = 3.81, residual support = 102.8:
          HG    LEU  115 - HE21  GLN  116   4.97 +/- 1.18  71.581% * 25.1590% (0.41   3.58 102.94) =  75.241%  kept
          HB3   LEU  115 - HE21  GLN  116   6.86 +/- 0.75   8.108% * 72.7409% (0.95   4.50 102.94) =  24.642%  kept
          QB    ALA  120 - HE21  GLN  116   7.06 +/- 1.15  17.729% *  0.1404% (0.41   0.02   0.02) =   0.104%
          QG    LYS+  66 - HE21  GLN  116  10.43 +/- 0.67   0.599% *  0.2346% (0.69   0.02   0.02) =   0.006%
          QB    ALA  110 - HE21  GLN  116   9.26 +/- 1.08   1.351% *  0.0598% (0.18   0.02   0.02) =   0.003%
          QB    ALA   61 - HE21  GLN  116  10.97 +/- 1.35   0.476% *  0.1165% (0.34   0.02   0.02) =   0.002%
          HG    LEU   67 - HE21  GLN  116  15.00 +/- 1.38   0.072% *  0.2963% (0.87   0.02   0.02) =   0.001%
          HB3   LEU   67 - HE21  GLN  116  16.32 +/- 0.91   0.042% *  0.1663% (0.49   0.02   0.02) =   0.000%
          HG    LEU   40 - HE21  GLN  116  18.71 +/- 0.69   0.018% *  0.3231% (0.95   0.02   0.02) =   0.000%
          HG    LEU   73 - HE21  GLN  116  22.43 +/- 1.25   0.006% *  0.2963% (0.87   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE21  GLN  116  25.42 +/- 2.00   0.003% *  0.3231% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE21  GLN  116  19.78 +/- 0.68   0.013% *  0.0760% (0.22   0.02   0.02) =   0.000%
          HG    LEU   80 - HE21  GLN  116  27.28 +/- 1.99   0.002% *  0.0676% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.88 A violated in 3 structures by 0.29 A, kept.
 
    Peak 1220 (2.02, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.454, support = 1.14, residual support = 0.573:
          QB    GLU- 114 - HN    SER  117   5.09 +/- 0.06  43.869% * 56.7103% (0.61   0.93   0.64) =  62.749%  kept
          HB    ILE  119 - HN    SER  117   5.00 +/- 0.15  48.801% * 29.9627% (0.20   1.50   0.46) =  36.881%  kept
          HB2   LYS+ 111 - HN    SER  117   6.96 +/- 0.58   7.289% *  2.0081% (1.00   0.02   0.02) =   0.369%
          HB3   PRO   68 - HN    SER  117  21.27 +/- 0.42   0.008% *  1.6811% (0.84   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    SER  117  20.30 +/- 0.46   0.011% *  0.9023% (0.45   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    SER  117  23.23 +/- 0.65   0.005% *  2.0081% (1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    SER  117  23.67 +/- 0.42   0.004% *  2.0081% (1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    SER  117  23.47 +/- 0.27   0.005% *  1.0589% (0.53   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    SER  117  26.34 +/- 0.70   0.002% *  0.9023% (0.45   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    SER  117  24.34 +/- 0.51   0.004% *  0.5018% (0.25   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    SER  117  25.38 +/- 0.64   0.003% *  0.3983% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    SER  117  33.13 +/- 0.38   0.001% *  1.8579% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1221 (1.46, 8.66, 115.11 ppm):
    10 chemical-shift based assignments, quality = 0.863, support = 2.51, residual support = 2.89:
          HG    LEU  115 - HN    SER  117   5.36 +/- 0.55  39.937% * 36.5191% (0.84   2.67   2.30) =  48.715%  kept
          HB3   LEU  115 - HN    SER  117   5.96 +/- 0.26  19.994% * 47.2803% (0.92   3.13   2.30) =  31.575%  kept
          QB    ALA  120 - HN    SER  117   5.29 +/- 0.09  39.583% * 14.9058% (0.84   1.09   5.30) =  19.707%  kept
          HG    LEU   67 - HN    SER  117  14.72 +/- 0.86   0.088% *  0.3208% (0.98   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    SER  117  12.23 +/- 0.51   0.256% *  0.0910% (0.28   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    SER  117  16.49 +/- 0.29   0.043% *  0.3021% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    SER  117  17.72 +/- 0.33   0.028% *  0.1985% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    SER  117  16.12 +/- 0.58   0.050% *  0.0505% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    SER  117  20.93 +/- 1.86   0.012% *  0.1853% (0.57   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    SER  117  21.55 +/- 1.05   0.009% *  0.1467% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1222 (2.99, 9.38, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.45, residual support = 15.1:
          HB2   PHE   97 - HN    LEU  104   3.64 +/- 0.16  93.664% * 98.3573% (1.00   3.45  15.08) =  99.981%  kept
          QE    LYS+  99 - HN    LEU  104   6.39 +/- 0.84   4.502% *  0.2147% (0.38   0.02  17.69) =   0.010%
          QE    LYS+ 106 - HN    LEU  104   7.39 +/- 0.76   1.765% *  0.4371% (0.76   0.02   0.02) =   0.008%
          HB3   TRP   27 - HN    LEU  104  16.18 +/- 0.57   0.013% *  0.5669% (0.99   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    LEU  104  15.29 +/- 0.43   0.017% *  0.3238% (0.57   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU  104  13.58 +/- 0.73   0.038% *  0.1002% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1223 (1.83, 9.38, 128.74 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.34, residual support = 33.2:
          HG12  ILE  103 - HN    LEU  104   4.66 +/- 0.39  59.992% * 83.4780% (0.97   5.66  36.29) =  91.322%  kept
          QB    LYS+ 102 - HN    LEU  104   5.22 +/- 0.34  31.516% * 15.0194% (0.49   2.02   0.17) =   8.632%  kept
          HB    VAL   41 - HN    LEU  104   6.92 +/- 1.13   8.214% *  0.3056% (1.00   0.02   0.02) =   0.046%
          QB    LYS+  66 - HN    LEU  104  13.93 +/- 0.37   0.083% *  0.2891% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LEU  104  12.96 +/- 0.60   0.131% *  0.1042% (0.34   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU  104  17.66 +/- 0.39   0.020% *  0.2335% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU  104  17.96 +/- 0.30   0.018% *  0.2219% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU  104  17.29 +/- 0.20   0.022% *  0.1147% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU  104  22.92 +/- 0.31   0.004% *  0.2335% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.41, 8.62, 122.05 ppm):
    11 chemical-shift based assignments, quality = 0.606, support = 1.73, residual support = 26.8:
          QB    LEU   98 - HN    ILE  103   4.33 +/- 0.19  99.641% * 88.5947% (0.61   1.73  26.76) =  99.994%  kept
          HD3   LYS+ 121 - HN    ILE  103  12.10 +/- 0.56   0.223% *  1.5166% (0.90   0.02   0.02) =   0.004%
          HB2   LEU   80 - HN    ILE  103  18.43 +/- 0.90   0.018% *  1.6575% (0.98   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ILE  103  17.92 +/- 0.27   0.021% *  1.3541% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ILE  103  16.39 +/- 0.37   0.035% *  0.6952% (0.41   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE  103  18.86 +/- 1.13   0.016% *  1.2923% (0.76   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE  103  20.15 +/- 0.83   0.010% *  1.4668% (0.87   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ILE  103  20.54 +/- 0.44   0.009% *  1.4668% (0.87   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ILE  103  19.85 +/- 0.19   0.011% *  0.9574% (0.57   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ILE  103  19.32 +/- 0.73   0.013% *  0.4217% (0.25   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ILE  103  25.68 +/- 1.93   0.003% *  0.5768% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1225 (0.73, 8.62, 122.05 ppm):
    7 chemical-shift based assignments, quality = 0.642, support = 4.98, residual support = 31.4:
          QD1   LEU   98 - HN    ILE  103   3.31 +/- 0.80  80.568% * 19.5664% (0.31   4.44  26.76) =  51.807%  kept
          QD2   LEU  104 - HN    ILE  103   4.85 +/- 0.92  18.411% * 79.6455% (1.00   5.57  36.29) =  48.191%  kept
          QG1   VAL   41 - HN    ILE  103   7.64 +/- 0.29   0.788% *  0.0566% (0.20   0.02   0.02) =   0.001%
          QG1   VAL   43 - HN    ILE  103   9.52 +/- 0.53   0.215% *  0.0975% (0.34   0.02   0.02) =   0.001%
          QD1   ILE   19 - HN    ILE  103  17.23 +/- 0.61   0.005% *  0.2758% (0.97   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    ILE  103  17.01 +/- 0.93   0.006% *  0.1618% (0.57   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    ILE  103  17.86 +/- 0.52   0.005% *  0.1963% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1226 (0.58, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.411, support = 6.85, residual support = 218.6:
          QD1   LEU  104 - HN    LEU  104   3.78 +/- 0.57  96.115% * 97.1103% (0.41   6.85 218.62) =  99.989%  kept
          QG2   VAL   41 - HN    LEU  104   7.15 +/- 0.27   2.780% *  0.1365% (0.20   0.02   0.02) =   0.004%
          QD1   LEU   63 - HN    LEU  104   9.77 +/- 0.31   0.410% *  0.6659% (0.97   0.02   0.02) =   0.003%
          QD2   LEU   63 - HN    LEU  104   9.96 +/- 0.93   0.421% *  0.5010% (0.73   0.02   0.02) =   0.002%
          QD1   LEU   73 - HN    LEU  104  11.14 +/- 0.31   0.186% *  0.6659% (0.97   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LEU  104  13.38 +/- 0.39   0.063% *  0.4740% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU  104  15.95 +/- 0.86   0.023% *  0.4464% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.82 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 = 0.585, support = 4.67, residual support = 19.7:
          QD1   LEU   98 - HN    ASP- 105   5.26 +/- 0.78  31.932% * 70.4969% (0.95   2.95   5.15) =  53.113%  kept
          QD2   LEU  104 - HN    ASP- 105   4.47 +/- 0.28  68.014% * 29.2172% (0.18   6.61  36.20) =  46.886%  kept
          QG2   ILE   19 - HN    ASP- 105  14.90 +/- 0.50   0.055% *  0.2859% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1228 (1.38, 8.97, 118.18 ppm):
    15 chemical-shift based assignments, quality = 0.897, support = 4.05, residual support = 131.6:
          HG3   LYS+ 106 - HN    LYS+ 106   2.91 +/- 0.53  98.258% * 95.5637% (0.90   4.05 131.61) =  99.997%  kept
          HD3   LYS+ 121 - HN    LYS+ 106   6.91 +/- 0.82   1.086% *  0.0922% (0.18   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    LYS+ 106   8.88 +/- 0.38   0.189% *  0.2164% (0.41   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+ 106   8.91 +/- 1.29   0.314% *  0.1172% (0.22   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+ 106  10.86 +/- 0.36   0.059% *  0.5252% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 106  12.33 +/- 1.02   0.025% *  0.5218% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+ 106  12.25 +/- 0.23   0.031% *  0.1796% (0.34   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+ 106  14.54 +/- 0.22   0.010% *  0.5080% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 106  15.80 +/- 0.81   0.005% *  0.5252% (1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+ 106  14.17 +/- 0.30   0.011% *  0.1625% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 106  19.64 +/- 0.67   0.002% *  0.5252% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 106  20.95 +/- 0.49   0.001% *  0.5160% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+ 106  15.66 +/- 0.69   0.007% *  0.0812% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 106  18.82 +/- 0.42   0.002% *  0.1042% (0.20   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 106  26.32 +/- 1.65   0.000% *  0.3616% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1229 (1.08, 8.97, 118.18 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 2.83, residual support = 19.8:
          QG1   VAL  107 - HN    LYS+ 106   4.05 +/- 0.24  99.665% * 97.0260% (0.53   2.83  19.85) =  99.997%  kept
          HG    LEU   63 - HN    LYS+ 106  11.32 +/- 0.44   0.225% *  0.9475% (0.73   0.02   0.02) =   0.002%
          QG2   VAL   24 - HN    LYS+ 106  17.61 +/- 0.59   0.016% *  1.1319% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    LYS+ 106  15.30 +/- 0.30   0.037% *  0.4027% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LYS+ 106  14.73 +/- 0.40   0.046% *  0.2013% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    LYS+ 106  18.98 +/- 0.99   0.011% *  0.2905% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1230 (0.90, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.52, residual support = 62.1:
          QG1   VAL  108 - HN    VAL  108   3.71 +/- 0.06  99.855% * 99.4338% (0.98   4.52  62.10) = 100.000%  kept
          QD1   LEU   40 - HN    VAL  108  12.71 +/- 0.22   0.062% *  0.2183% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    VAL  108  13.21 +/- 0.43   0.050% *  0.2360% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    VAL  108  14.20 +/- 0.38   0.032% *  0.1118% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1231 (0.63, 7.72, 122.85 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.87, residual support = 7.83:
          QG2   ILE   89 - HN    ALA   91   3.20 +/- 0.46  93.825% * 99.3842% (1.00   2.87   7.83) =  99.997%  kept
          QG1   VAL   83 - HN    TRP   27   5.48 +/- 0.59   6.075% *  0.0451% (0.07   0.02   4.45) =   0.003%
          QG1   VAL   83 - HN    ALA   91  11.48 +/- 0.53   0.049% *  0.3648% (0.53   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    TRP   27  12.05 +/- 0.37   0.043% *  0.0857% (0.12   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  19.00 +/- 0.85   0.002% *  0.1070% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  16.99 +/- 0.58   0.005% *  0.0132% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1232 (1.26, 10.11, 128.03 ppm):
    10 chemical-shift based assignments, quality = 0.447, support = 5.31, residual support = 40.1:
          HG3   LYS+  99 - HN    GLU- 100   3.75 +/- 0.36  75.015% * 94.9697% (0.45   5.32  40.23) =  99.780%  kept
          QB    ALA   34 - HN    GLU- 100   4.91 +/- 0.47  18.337% *  0.5785% (0.73   0.02   0.02) =   0.149%
          HG3   LYS+  38 - HN    GLU- 100   6.40 +/- 0.79   4.131% *  0.7896% (0.99   0.02   0.02) =   0.046%
          QG2   THR   39 - HN    GLU- 100   6.76 +/- 0.42   2.421% *  0.7536% (0.95   0.02   0.02) =   0.026%
          HG    LEU   71 - HN    GLU- 100  12.46 +/- 0.60   0.064% *  0.2990% (0.38   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    GLU- 100  15.89 +/- 0.93   0.015% *  0.5153% (0.65   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU- 100  18.57 +/- 0.15   0.006% *  0.7144% (0.90   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    GLU- 100  21.65 +/- 0.86   0.002% *  0.7536% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    GLU- 100  19.42 +/- 0.56   0.004% *  0.3275% (0.41   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    GLU- 100  19.11 +/- 0.54   0.005% *  0.2990% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1233 (1.37, 7.29, 121.74 ppm):
    15 chemical-shift based assignments, quality = 0.566, support = 0.75, residual support = 4.88:
          QB    ALA   84 - HN    LYS+  81   4.21 +/- 0.06  99.758% * 70.7750% (0.57   0.75   4.88) =  99.992%  kept
          HB3   LEU   73 - HN    LYS+  81  13.21 +/- 0.61   0.109% *  3.0773% (0.92   0.02   0.02) =   0.005%
          HB3   PRO   93 - HN    LYS+  81  16.45 +/- 0.39   0.028% *  2.0219% (0.61   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  81  19.62 +/- 0.43   0.010% *  2.8917% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  81  20.60 +/- 0.89   0.008% *  3.3336% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LYS+  81  16.44 +/- 0.31   0.028% *  0.7422% (0.22   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  81  18.70 +/- 0.98   0.014% *  1.4946% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  81  21.47 +/- 1.48   0.006% *  2.6693% (0.80   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  81  16.92 +/- 0.52   0.024% *  0.6597% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  81  25.18 +/- 1.18   0.002% *  3.1535% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  81  25.88 +/- 1.40   0.002% *  2.8917% (0.87   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  81  26.44 +/- 0.34   0.002% *  3.2676% (0.98   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  81  25.58 +/- 2.28   0.003% *  1.3705% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  81  22.16 +/- 0.60   0.005% *  0.5144% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  81  30.47 +/- 0.54   0.001% *  1.1371% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1234 (0.08, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 5.87, residual support = 214.8:
          QD1   ILE   89 - HN    ILE   89   3.36 +/- 0.24  96.431% * 99.3825% (0.92   5.87 214.84) =  99.986%  kept
          QG2   VAL   83 - HN    ILE   89   6.04 +/- 0.42   3.505% *  0.3657% (1.00   0.02   0.02) =   0.013%
          QD2   LEU   31 - HN    ILE   89  11.60 +/- 0.35   0.063% *  0.2518% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1235 (1.34, 7.91, 118.70 ppm):
    12 chemical-shift based assignments, quality = 0.384, support = 3.52, residual support = 8.97:
          QB    ALA   88 - HN    ILE   89   3.58 +/- 0.32  48.505% * 57.8729% (0.34   4.45   7.09) =  60.281%  kept
          QB    ALA   84 - HN    ILE   89   3.64 +/- 0.44  51.185% * 36.1322% (0.45   2.12  11.83) =  39.715%  kept
          HB3   LEU   80 - HN    ILE   89   9.45 +/- 1.42   0.203% *  0.7468% (0.98   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HN    ILE   89  12.95 +/- 0.29   0.022% *  0.6364% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ILE   89  11.73 +/- 0.20   0.040% *  0.3132% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ILE   89  14.29 +/- 0.69   0.013% *  0.7468% (0.98   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ILE   89  13.31 +/- 1.29   0.021% *  0.4314% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ILE   89  15.72 +/- 0.47   0.007% *  0.7602% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ILE   89  18.33 +/- 0.42   0.003% *  0.7033% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ILE   89  21.01 +/- 0.30   0.001% *  0.6101% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ILE   89  24.56 +/- 0.68   0.000% *  0.5234% (0.69   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ILE   89  26.03 +/- 0.53   0.000% *  0.5234% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 0.666, support = 3.89, residual support = 34.6:
          QB    ALA   91 - HN    GLN   90   4.40 +/- 0.28  58.729% * 61.1518% (0.84   3.04  32.43) =  71.186%  kept
          HG12  ILE   89 - HN    GLN   90   4.72 +/- 0.26  40.398% * 35.9793% (0.25   6.00  39.83) =  28.810%  kept
          QG2   ILE   56 - HN    GLN   90   9.56 +/- 0.25   0.548% *  0.1806% (0.38   0.02   0.02) =   0.002%
          HG2   LYS+  74 - HN    GLN   90  11.83 +/- 1.13   0.182% *  0.4441% (0.92   0.02   0.02) =   0.002%
          HG3   LYS+ 111 - HN    GLN   90  13.05 +/- 1.06   0.099% *  0.0952% (0.20   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    GLN   90  20.11 +/- 0.89   0.007% *  0.4811% (1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    GLN   90  19.60 +/- 0.63   0.008% *  0.4019% (0.84   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    GLN   90  20.34 +/- 1.14   0.006% *  0.4315% (0.90   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    GLN   90  16.75 +/- 0.47   0.019% *  0.1071% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    GLN   90  23.08 +/- 0.69   0.003% *  0.4551% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    GLN   90  27.77 +/- 0.65   0.001% *  0.2724% (0.57   0.02   0.02) =   0.000%
    Distance limit 5.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (2.15, 8.62, 127.39 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 5.59, residual support = 89.7:
      O   HB2   GLN   90 - HN    GLN   90   4.02 +/- 0.22  99.679% * 98.2038% (0.73   5.59  89.73) =  99.998%  kept
          HB3   GLU-  79 - HN    GLN   90  11.05 +/- 1.24   0.303% *  0.4746% (0.98   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    GLN   90  20.67 +/- 1.19   0.006% *  0.4343% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLN   90  21.10 +/- 0.90   0.005% *  0.2548% (0.53   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLN   90  24.17 +/- 0.52   0.002% *  0.4831% (1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   90  23.87 +/- 0.53   0.002% *  0.0747% (0.15   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   90  26.64 +/- 0.71   0.001% *  0.0747% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 0.867, support = 4.85, residual support = 27.4:
          QD2   LEU   73 - HN    PHE   72   3.54 +/- 0.29  73.863% * 98.3676% (0.87   4.85  27.39) =  99.937%  kept
          QG2   VAL   18 - HN    PHE   72   4.52 +/- 0.76  23.048% *  0.1594% (0.34   0.02   3.52) =   0.051%
          QG1   VAL   43 - HN    PHE   72   6.75 +/- 0.92   2.140% *  0.2646% (0.57   0.02   0.02) =   0.008%
          QG1   VAL   41 - HN    PHE   72   7.68 +/- 0.21   0.780% *  0.3572% (0.76   0.02   0.02) =   0.004%
          HG    LEU   31 - HN    PHE   72  11.69 +/- 1.00   0.084% *  0.4511% (0.97   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    PHE   72  11.47 +/- 0.63   0.070% *  0.1166% (0.25   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    PHE   72  14.82 +/- 0.21   0.015% *  0.2835% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1240 (0.40, 9.36, 127.59 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.58, residual support = 40.1:
          QB    ALA   64 - HN    PHE   72   4.36 +/- 0.25  99.962% * 99.8644% (1.00   2.58  40.06) = 100.000%  kept
          QB    ALA   47 - HN    PHE   72  16.31 +/- 0.24   0.038% *  0.1356% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1241 (2.00, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.707, support = 2.61, residual support = 8.34:
          HB    ILE   19 - HN    LYS+  74   4.49 +/- 0.13  98.061% * 95.9635% (0.71   2.61   8.34) =  99.991%  kept
          HB2   GLN   17 - HN    LYS+  74   9.30 +/- 0.19   1.270% *  0.4465% (0.43   0.02   0.02) =   0.006%
          QB    GLU-  15 - HN    LYS+  74  11.84 +/- 0.47   0.309% *  0.4465% (0.43   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    LYS+  74  12.96 +/- 0.45   0.176% *  0.5894% (0.57   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    LYS+  74  16.95 +/- 0.30   0.034% *  0.7215% (0.69   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    LYS+  74  17.82 +/- 0.25   0.025% *  0.7345% (0.71   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+  74  15.27 +/- 0.33   0.065% *  0.1835% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    LYS+  74  18.13 +/- 0.48   0.024% *  0.2763% (0.27   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LYS+  74  17.96 +/- 0.56   0.025% *  0.2511% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LYS+  74  20.98 +/- 0.32   0.010% *  0.3873% (0.37   0.02   0.02) =   0.000%
    Distance limit 4.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1242 (0.60, 8.48, 121.30 ppm):
    7 chemical-shift based assignments, quality = 0.373, support = 5.64, residual support = 45.3:
          QD1   LEU   73 - HN    LYS+  74   4.51 +/- 0.12  91.724% * 97.2297% (0.37   5.64  45.28) =  99.953%  kept
          QD2   LEU   80 - HN    LYS+  74   7.64 +/- 0.95   5.500% *  0.5877% (0.64   0.02   0.02) =   0.036%
          QG1   VAL   83 - HN    LYS+  74   9.64 +/- 0.77   1.135% *  0.5008% (0.54   0.02   0.02) =   0.006%
          QD1   LEU   63 - HN    LYS+  74  10.43 +/- 0.54   0.642% *  0.3448% (0.37   0.02   0.02) =   0.002%
          QG2   ILE   89 - HN    LYS+  74   9.86 +/- 0.34   0.873% *  0.1148% (0.12   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    LYS+  74  15.23 +/- 0.64   0.066% *  0.6538% (0.71   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  74  15.38 +/- 0.59   0.061% *  0.5684% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1243 (1.33, 8.52, 119.25 ppm):
    12 chemical-shift based assignments, quality = 0.341, support = 4.75, residual support = 29.1:
          QG2   THR   77 - HN    ASP-  78   4.07 +/- 0.09  81.969% * 92.2376% (0.34   4.76  29.16) =  99.933%  kept
          QB    ALA   84 - HN    ASP-  78   5.47 +/- 0.34  14.877% *  0.1755% (0.15   0.02   0.02) =   0.035%
          HB3   LEU   80 - HN    ASP-  78   7.29 +/- 0.57   2.887% *  0.7812% (0.69   0.02   1.04) =   0.030%
          QB    ALA   88 - HN    ASP-  78  11.79 +/- 0.43   0.143% *  0.8258% (0.73   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    ASP-  78  12.83 +/- 0.47   0.087% *  0.5099% (0.45   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    ASP-  78  18.82 +/- 0.54   0.009% *  1.0199% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ASP-  78  18.81 +/- 0.54   0.009% *  0.9499% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ASP-  78  18.41 +/- 0.44   0.010% *  0.6439% (0.57   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ASP-  78  19.38 +/- 1.23   0.008% *  0.2532% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  78  25.77 +/- 0.26   0.001% *  1.1373% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  78  28.64 +/- 0.40   0.001% *  1.1148% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  78  27.93 +/- 0.49   0.001% *  0.3510% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 0.915, support = 0.0198, residual support = 0.0198:
          QB    ALA   47 - HN    ASP-  78   6.06 +/- 0.62  99.116% * 32.6601% (0.92   0.02   0.02) =  99.067%  kept
          QG1   VAL   42 - HN    ASP-  78  13.86 +/- 0.25   0.786% * 34.6797% (0.98   0.02   0.02) =   0.835%
          HG2   LYS+ 112 - HN    ASP-  78  19.52 +/- 0.35   0.098% * 32.6601% (0.92   0.02   0.02) =   0.098%
    Distance limit 4.79 A violated in 19 structures by 1.31 A, eliminated.
    Peak unassigned.
 
    Peak 1245 (4.26, 8.52, 119.25 ppm):
    10 chemical-shift based assignments, quality = 0.592, support = 4.41, residual support = 25.0:
          HB    THR   77 - HN    ASP-  78   4.04 +/- 0.10  77.933% * 38.2469% (0.45   4.76  29.16) =  69.747%  kept
          HA    GLU-  79 - HN    ASP-  78   5.02 +/- 0.08  21.531% * 60.0432% (0.92   3.63  15.46) =  30.251%  kept
          HA    SER   85 - HN    ASP-  78  10.55 +/- 0.44   0.258% *  0.1609% (0.45   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    ASP-  78  12.42 +/- 0.35   0.094% *  0.3580% (1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    ASP-  78  11.69 +/- 0.12   0.135% *  0.1347% (0.38   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ASP-  78  14.21 +/- 0.33   0.042% *  0.3218% (0.90   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  78  21.18 +/- 0.27   0.004% *  0.2031% (0.57   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ASP-  78  25.65 +/- 0.23   0.001% *  0.3463% (0.97   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  78  32.30 +/- 4.73   0.001% *  0.1224% (0.34   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ASP-  78  26.59 +/- 0.30   0.001% *  0.0628% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1246 (4.83, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.57, residual support = 36.7:
      O   HA    ASP-  78 - HN    ASP-  78   2.81 +/- 0.02  99.758% * 99.1972% (1.00   4.57  36.67) =  99.999%  kept
          HA    LEU   80 - HN    ASP-  78   8.03 +/- 0.27   0.191% *  0.2113% (0.49   0.02   1.04) =   0.000%
          HA    THR   23 - HN    ASP-  78  10.42 +/- 0.27   0.039% *  0.3765% (0.87   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP-  78  12.95 +/- 0.32   0.011% *  0.1481% (0.34   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ASP-  78  22.24 +/- 0.22   0.000% *  0.0670% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 0.996, support = 8.01, residual support = 225.6:
      O   HA    ILE  119 - HN    ILE  119   2.75 +/- 0.02  78.389% * 58.7718% (1.00   8.32 253.31) =  87.273%  kept
      O   HA    THR  118 - HN    ILE  119   3.56 +/- 0.01  16.538% * 40.6216% (0.97   5.96  35.64) =  12.726%  kept
          HA    VAL   75 - HN    CYS   21   4.37 +/- 0.19   5.051% *  0.0078% (0.06   0.02   2.50) =   0.001%
          HA2   GLY  109 - HN    ILE  119  13.65 +/- 0.23   0.005% *  0.1026% (0.73   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    CYS   21  11.72 +/- 0.31   0.013% *  0.0401% (0.28   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ILE  119  21.29 +/- 0.37   0.000% *  0.1268% (0.90   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    CYS   21  18.52 +/- 0.31   0.001% *  0.0443% (0.31   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ILE  119  23.41 +/- 0.15   0.000% *  0.1401% (0.99   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    CYS   21  19.17 +/- 0.32   0.001% *  0.0324% (0.23   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    CYS   21  20.73 +/- 0.40   0.000% *  0.0447% (0.32   0.02   0.02) =   0.000%
          HA    THR  118 - HN    CYS   21  22.13 +/- 0.38   0.000% *  0.0431% (0.30   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ILE  119  20.78 +/- 0.29   0.000% *  0.0248% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 0.723, support = 5.22, residual support = 30.5:
          HB2   CYS   53 - HN    ARG+  54   3.16 +/- 0.06  92.279% * 98.0355% (0.72   5.22  30.50) =  99.982%  kept
          HD2   PRO   58 - HN    ARG+  54   6.02 +/- 0.11   1.976% *  0.4539% (0.87   0.02   0.02) =   0.010%
          HD3   PRO   52 - HN    ARG+  54   5.17 +/- 0.08   4.867% *  0.1367% (0.26   0.02   0.02) =   0.007%
          HD2   PRO   58 - HN    ASP-  62   6.97 +/- 0.15   0.822% *  0.0849% (0.16   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    ASP-  62  11.14 +/- 0.24   0.049% *  0.0703% (0.14   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ARG+  54  22.37 +/- 0.54   0.001% *  0.4265% (0.82   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  62  16.38 +/- 0.20   0.005% *  0.0256% (0.05   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ARG+  54  25.82 +/- 0.42   0.000% *  0.1677% (0.32   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ARG+  54  30.18 +/- 0.31   0.000% *  0.4107% (0.79   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  62  23.35 +/- 0.46   0.001% *  0.0768% (0.15   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ASP-  62  23.97 +/- 0.51   0.000% *  0.0798% (0.15   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  62  20.93 +/- 0.43   0.001% *  0.0314% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1250 (0.76, 7.72, 117.18 ppm):
    8 chemical-shift based assignments, quality = 0.91, support = 0.0193, residual support = 0.0193:
          QG2   VAL   18 - HN    ALA   61   5.87 +/- 0.33  87.688% * 17.9827% (0.95   0.02   0.02) =  89.795%  kept
          QG2   THR   46 - HN    ALA   61   9.20 +/- 0.83   7.381% * 16.4898% (0.87   0.02   0.02) =   6.931%  kept
          QG1   VAL   43 - HN    ALA   61  11.25 +/- 0.33   1.845% * 18.9678% (1.00   0.02   0.02) =   1.992%
          QD2   LEU   73 - HN    ALA   61  11.17 +/- 0.39   1.961% *  4.7402% (0.25   0.02   0.02) =   0.529%
          QG1   VAL   41 - HN    ALA   61  14.90 +/- 0.24   0.341% * 17.5485% (0.92   0.02   0.02) =   0.341%
          QD1   ILE   19 - HN    ALA   61  13.65 +/- 0.29   0.570% * 10.0016% (0.53   0.02   0.02) =   0.325%
          QD2   LEU  104 - HN    ALA   61  17.07 +/- 0.51   0.152% *  7.1347% (0.38   0.02   0.02) =   0.062%
          HG    LEU   31 - HN    ALA   61  19.96 +/- 0.83   0.063% *  7.1347% (0.38   0.02   0.02) =   0.025%
    Distance limit 4.88 A violated in 20 structures by 0.91 A, eliminated.
    Peak unassigned.
 
    Peak 1251 (2.15, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 4.39, residual support = 45.3:
          QB    GLU-  36 - HN    ASN   35   4.50 +/- 0.16  95.141% * 98.1797% (0.92   4.39  45.30) =  99.988%  kept
          HB3   GLU-  29 - HN    ASN   35   9.75 +/- 0.30   0.966% *  0.4799% (0.99   0.02   0.02) =   0.005%
          HB2   LYS+  38 - HN    ASN   35   7.96 +/- 0.31   3.255% *  0.1346% (0.28   0.02   0.02) =   0.005%
          HG3   GLU-  29 - HN    ASN   35  10.48 +/- 0.41   0.622% *  0.3516% (0.73   0.02   0.02) =   0.002%
          HB3   GLU-  79 - HN    ASN   35  19.90 +/- 0.56   0.013% *  0.4200% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   35  25.00 +/- 0.43   0.003% *  0.4342% (0.90   0.02   0.02) =   0.000%
    Distance limit 5.07 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 = 46.1:
      O   QB    MET   11 - HN    MET   11   2.67 +/- 0.42  99.933% * 95.9228% (0.69   3.00  46.09) = 100.000%  kept
          QG    GLU-  14 - HN    MET   11  10.78 +/- 1.38   0.042% *  0.1436% (0.15   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    MET   11  12.31 +/- 1.46   0.023% *  0.2321% (0.25   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    MET   11  21.46 +/- 3.73   0.001% *  0.8075% (0.87   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    MET   11  30.55 +/- 4.61   0.000% *  0.6760% (0.73   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    MET   11  27.61 +/- 4.09   0.000% *  0.1842% (0.20   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    MET   11  26.96 +/- 3.28   0.000% *  0.1630% (0.18   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    MET   11  36.03 +/- 2.69   0.000% *  0.7455% (0.80   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    MET   11  38.64 +/- 4.82   0.000% *  0.8075% (0.87   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    MET   11  38.58 +/- 4.41   0.000% *  0.3176% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (2.08, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 46.1:
          HG2   MET   11 - HN    MET   11   3.56 +/- 0.73  99.786% * 97.3781% (0.92   3.31  46.09) =  99.999%  kept
          HB2   GLU-  14 - HN    MET   11  11.40 +/- 1.35   0.183% *  0.6025% (0.95   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    MET   11  16.99 +/- 2.08   0.023% *  0.3100% (0.49   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    MET   11  21.24 +/- 3.21   0.006% *  0.1771% (0.28   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    MET   11  32.54 +/- 3.85   0.001% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    MET   11  36.91 +/- 4.34   0.000% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    MET   11  30.46 +/- 3.83   0.001% *  0.1418% (0.22   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    MET   11  33.16 +/- 3.86   0.001% *  0.1418% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1254 (1.91, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 46.1:
          HG3   MET   11 - HN    MET   11   3.01 +/- 0.54  99.913% * 98.0255% (0.92   3.31  46.09) = 100.000%  kept
          HB3   GLU-  14 - HN    MET   11  11.52 +/- 2.01   0.083% *  0.4900% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   11  22.26 +/- 3.09   0.001% *  0.2187% (0.34   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   11  23.23 +/- 3.67   0.002% *  0.1269% (0.20   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    MET   11  23.93 +/- 2.38   0.001% *  0.0989% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   11  30.88 +/- 3.78   0.000% *  0.4404% (0.69   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    MET   11  31.04 +/- 3.02   0.000% *  0.2875% (0.45   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    MET   11  39.06 +/- 4.36   0.000% *  0.3121% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1255 (1.55, 8.48, 122.27 ppm):
    7 chemical-shift based assignments, quality = 0.86, support = 0.0181, residual support = 0.0181:
          HG2   LYS+  33 - HN    MET   11  18.99 +/- 3.01  69.415% * 22.9200% (1.00   0.02   0.02) =  80.994%  kept
          HD3   LYS+  74 - HN    MET   11  26.45 +/- 4.28  15.570% * 12.0587% (0.53   0.02   0.02) =   9.558%  kept
          QG    LYS+  81 - HN    MET   11  31.74 +/- 3.99   3.686% * 19.1444% (0.84   0.02   0.02) =   3.593%
          HG    LEU  104 - HN    MET   11  29.68 +/- 2.69   4.939% *  8.6021% (0.38   0.02   0.02) =   2.163%
          HB3   LYS+ 121 - HN    MET   11  32.21 +/- 2.16   3.655% *  8.6021% (0.38   0.02   0.02) =   1.601%
          HG2   LYS+ 106 - HN    MET   11  35.50 +/- 2.65   1.662% * 17.5161% (0.76   0.02   0.02) =   1.482%
          HB3   LYS+ 111 - HN    MET   11  38.79 +/- 3.24   1.073% * 11.1564% (0.49   0.02   0.02) =   0.609%
    Distance limit 4.63 A violated in 20 structures by 13.55 A, eliminated.
    Peak unassigned.
 
    Peak 1256 (2.08, 8.37, 125.10 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 3.57, residual support = 12.7:
          HG2   MET   11 - HN    ALA   12   4.05 +/- 0.22  97.131% * 97.8337% (0.72   3.57  12.70) =  99.984%  kept
          HB2   GLU-  14 - HN    ALA   12   8.14 +/- 1.30   2.810% *  0.5461% (0.72   0.02   0.02) =   0.016%
          HB2   PRO   68 - HN    ALA   12  14.86 +/- 1.72   0.056% *  0.1522% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    ALA   12  30.36 +/- 2.95   0.001% *  0.5365% (0.71   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    ALA   12  34.39 +/- 3.38   0.000% *  0.5365% (0.71   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA   12  30.56 +/- 3.10   0.001% *  0.2250% (0.30   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA   12  33.31 +/- 3.58   0.001% *  0.0959% (0.13   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA   12  37.19 +/- 2.70   0.000% *  0.0741% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1257 (1.39, 8.37, 125.10 ppm):
    13 chemical-shift based assignments, quality = 0.681, support = 2.31, residual support = 12.2:
      O   QB    ALA   12 - HN    ALA   12   2.63 +/- 0.32  99.986% * 93.4172% (0.68   2.31  12.20) = 100.000%  kept
          HG3   LYS+  33 - HN    ALA   12  16.59 +/- 3.20   0.006% *  0.8079% (0.68   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   12  19.23 +/- 2.67   0.002% *  0.7660% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   12  21.28 +/- 3.59   0.003% *  0.3829% (0.32   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   12  20.71 +/- 3.14   0.002% *  0.7134% (0.60   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   12  21.51 +/- 2.34   0.001% *  0.7660% (0.65   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ALA   12  23.41 +/- 2.34   0.000% *  0.6202% (0.52   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   12  28.11 +/- 3.66   0.000% *  0.2375% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   12  31.63 +/- 3.11   0.000% *  0.6839% (0.58   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   12  31.99 +/- 2.50   0.000% *  0.5180% (0.44   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   12  30.16 +/- 2.29   0.000% *  0.3511% (0.30   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   12  37.38 +/- 2.74   0.000% *  0.6202% (0.52   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   12  30.77 +/- 2.91   0.000% *  0.1156% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1258 (1.39, 8.24, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.946, support = 1.76, residual support = 5.12:
          QB    ALA   12 - HN    SER   13   2.65 +/- 0.50  99.969% * 91.5358% (0.95   1.76   5.12) = 100.000%  kept
          HG3   LYS+  33 - HN    SER   13  14.84 +/- 2.30   0.017% *  1.0389% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   13  16.56 +/- 1.96   0.004% *  0.9849% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   13  18.06 +/- 1.88   0.003% *  0.9173% (0.84   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   13  18.92 +/- 1.43   0.002% *  0.9849% (0.90   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    SER   13  18.55 +/- 2.00   0.003% *  0.4924% (0.45   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    SER   13  21.47 +/- 1.45   0.001% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    SER   13  25.72 +/- 2.27   0.000% *  0.3053% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   13  29.86 +/- 2.24   0.000% *  0.8794% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   13  29.63 +/- 1.67   0.000% *  0.6661% (0.61   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    SER   13  27.96 +/- 1.61   0.000% *  0.4515% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   13  34.77 +/- 1.59   0.000% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    SER   13  28.04 +/- 1.60   0.000% *  0.1486% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1259 (3.88, 8.32, 122.30 ppm):
    6 chemical-shift based assignments, quality = 0.451, support = 2.46, residual support = 6.63:
          QB    SER   13 - HN    GLU-  14   3.27 +/- 0.63  99.899% * 95.5636% (0.45   2.46   6.63) =  99.999%  kept
          HB3   SER   37 - HN    GLU-  14  13.20 +/- 1.34   0.049% *  1.0025% (0.58   0.02   0.02) =   0.001%
          HB    THR   39 - HN    GLU-  14  13.21 +/- 1.29   0.050% *  0.8244% (0.48   0.02   0.02) =   0.000%
          HB    THR  118 - HN    GLU-  14  26.11 +/- 1.17   0.001% *  1.1976% (0.70   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLU-  14  28.96 +/- 1.53   0.000% *  1.0025% (0.58   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLU-  14  27.52 +/- 2.13   0.001% *  0.4094% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.93 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 = 0.515, support = 3.71, residual support = 39.4:
          QG    GLU-  14 - HN    GLU-  14   3.85 +/- 0.49  63.564% * 72.4727% (0.53   4.08  46.67) =  83.877%  kept
          QG    GLU-  15 - HN    GLU-  14   4.60 +/- 1.28  35.283% * 25.0943% (0.42   1.78   1.71) =  16.121%  kept
          QB    MET   11 - HN    GLU-  14   7.82 +/- 0.78   1.073% *  0.0921% (0.14   0.02   0.02) =   0.002%
          HB3   PHE   72 - HN    GLU-  14  13.42 +/- 1.34   0.053% *  0.3886% (0.58   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLU-  14  15.38 +/- 1.79   0.018% *  0.3379% (0.51   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  14  18.85 +/- 1.20   0.005% *  0.3379% (0.51   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  14  25.82 +/- 1.21   0.001% *  0.4611% (0.69   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  14  26.97 +/- 2.11   0.001% *  0.4173% (0.62   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  14  25.37 +/- 1.19   0.001% *  0.1160% (0.17   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  14  31.96 +/- 1.44   0.000% *  0.2822% (0.42   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 3.86, residual support = 46.7:
      O   HB2   GLU-  14 - HN    GLU-  14   3.02 +/- 0.62  99.417% * 97.9877% (0.70   3.87  46.67) =  99.997%  kept
          HG2   MET   11 - HN    GLU-  14   9.02 +/- 1.43   0.456% *  0.5082% (0.70   0.02   0.02) =   0.002%
          HB2   PRO   68 - HN    GLU-  14  10.58 +/- 1.22   0.126% *  0.1413% (0.19   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU-  14  25.73 +/- 1.21   0.000% *  0.4981% (0.68   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLU-  14  25.41 +/- 1.30   0.001% *  0.2089% (0.29   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU-  14  29.40 +/- 1.37   0.000% *  0.4981% (0.68   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  14  28.84 +/- 1.34   0.000% *  0.0890% (0.12   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  14  31.92 +/- 1.26   0.000% *  0.0688% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 3.89, residual support = 46.7:
      O   HB3   GLU-  14 - HN    GLU-  14   3.12 +/- 0.30  99.711% * 98.4690% (0.62   3.89  46.67) =  99.999%  kept
          HG3   MET   11 - HN    GLU-  14   8.99 +/- 1.35   0.283% *  0.4101% (0.51   0.02   0.02) =   0.001%
          HB2   LEU   40 - HN    GLU-  14  16.74 +/- 1.46   0.006% *  0.4316% (0.53   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    GLU-  14  22.98 +/- 1.37   0.001% *  0.5635% (0.70   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    GLU-  14  29.07 +/- 1.38   0.000% *  0.1257% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1263 (2.20, 7.69, 115.83 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.63, residual support = 83.5:
          QG    GLN   17 - HN    GLN   17   2.82 +/- 0.55  99.712% * 98.8407% (1.00   5.63  83.55) =  99.999%  kept
          HB    VAL   70 - HN    GLN   17   8.32 +/- 0.57   0.275% *  0.3450% (0.98   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    GLN   17  16.29 +/- 0.58   0.004% *  0.2277% (0.65   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    GLN   17  19.41 +/- 0.70   0.002% *  0.3488% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   17  17.66 +/- 0.63   0.003% *  0.0978% (0.28   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    GLN   17  18.23 +/- 0.97   0.002% *  0.0616% (0.18   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLN   17  18.94 +/- 0.90   0.002% *  0.0784% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1264 (2.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 4.59, residual support = 65.2:
      O   HB2   GLN   17 - HN    GLN   17   3.86 +/- 0.05  55.246% * 70.5646% (0.92   5.29  83.55) =  77.878%  kept
          QB    GLU-  15 - HN    GLN   17   4.10 +/- 0.23  39.547% * 27.9776% (0.92   2.10   0.80) =  22.103%  kept
          HB3   PRO   68 - HN    GLN   17   6.38 +/- 0.39   2.918% *  0.1635% (0.57   0.02   0.02) =   0.010%
          HB    ILE   19 - HN    GLN   17   6.96 +/- 0.37   1.714% *  0.2312% (0.80   0.02   0.02) =   0.008%
          HG2   PRO   68 - HN    GLN   17   8.60 +/- 0.39   0.472% *  0.2097% (0.73   0.02   0.02) =   0.002%
          HG3   GLN   30 - HN    GLN   17  11.33 +/- 0.83   0.097% *  0.0643% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN   17  19.89 +/- 0.86   0.003% *  0.2881% (1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLN   17  21.09 +/- 0.35   0.002% *  0.2505% (0.87   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLN   17  25.10 +/- 0.50   0.001% *  0.2505% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 5.29, residual support = 83.5:
      O   HB3   GLN   17 - HN    GLN   17   3.08 +/- 0.29  99.069% * 98.6158% (0.98   5.29  83.55) =  99.997%  kept
          HB2   LEU   71 - HN    GLN   17   7.61 +/- 0.70   0.569% *  0.2905% (0.76   0.02   0.02) =   0.002%
          QB    LYS+  65 - HN    GLN   17   8.41 +/- 0.47   0.278% *  0.2760% (0.73   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    GLN   17  10.62 +/- 0.34   0.066% *  0.0666% (0.18   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   17  14.33 +/- 0.55   0.011% *  0.1057% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   17  17.62 +/- 0.97   0.004% *  0.1426% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    GLN   17  20.14 +/- 0.74   0.001% *  0.2305% (0.61   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    GLN   17  20.68 +/- 0.62   0.001% *  0.1426% (0.38   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   17  23.15 +/- 0.34   0.001% *  0.1296% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1266 (2.01, 8.66, 110.73 ppm):
    12 chemical-shift based assignments, quality = 0.975, support = 2.62, residual support = 7.64:
          QB    GLU-  15 - HN    GLY   16   2.36 +/- 0.43  98.024% * 95.3280% (0.98   2.62   7.65) =  99.987%  kept
          HB3   PRO   68 - HN    GLY   16   5.47 +/- 0.52   1.187% *  0.5826% (0.78   0.02   0.02) =   0.007%
          HB2   GLN   17 - HN    GLY   16   6.17 +/- 0.09   0.524% *  0.7275% (0.98   0.02  18.50) =   0.004%
          HG2   PRO   68 - HN    GLY   16   7.60 +/- 0.53   0.155% *  0.3541% (0.47   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    GLY   16   8.14 +/- 0.45   0.088% *  0.4119% (0.55   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLY   16  11.96 +/- 0.93   0.008% *  0.2991% (0.40   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    GLY   16  12.25 +/- 0.84   0.011% *  0.1274% (0.17   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLY   16  20.75 +/- 0.97   0.000% *  0.6882% (0.92   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLY   16  21.63 +/- 0.55   0.000% *  0.4706% (0.63   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLY   16  19.56 +/- 0.97   0.000% *  0.1620% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLY   16  25.95 +/- 0.72   0.000% *  0.7211% (0.97   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLY   16  20.19 +/- 0.55   0.000% *  0.1274% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1267 (2.19, 8.27, 122.56 ppm):
    6 chemical-shift based assignments, quality = 0.701, support = 5.81, residual support = 51.2:
          QG    GLN   17 - HN    VAL   18   3.56 +/- 0.17  99.661% * 98.7514% (0.70   5.81  51.20) =  99.999%  kept
          HB    VAL   70 - HN    VAL   18   9.48 +/- 0.55   0.303% *  0.3028% (0.62   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    VAL   18  14.75 +/- 0.47   0.021% *  0.1167% (0.24   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   18  18.75 +/- 0.51   0.005% *  0.3909% (0.81   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    VAL   18  20.16 +/- 0.46   0.003% *  0.3215% (0.66   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   18  18.22 +/- 1.37   0.006% *  0.1167% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1268 (1.97, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 4.99, residual support = 78.0:
      O   HB    VAL   18 - HN    VAL   18   2.51 +/- 0.38  99.475% * 97.8725% (0.70   4.99  77.97) =  99.999%  kept
          HB    ILE   19 - HN    VAL   18   6.50 +/- 0.12   0.427% *  0.1202% (0.21   0.02  22.00) =   0.001%
          HB2   LEU   67 - HN    VAL   18   9.04 +/- 0.30   0.069% *  0.5109% (0.91   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    VAL   18  10.73 +/- 0.36   0.023% *  0.1502% (0.27   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    VAL   18  15.47 +/- 0.31   0.003% *  0.4986% (0.89   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    VAL   18  18.22 +/- 0.58   0.001% *  0.5109% (0.91   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    VAL   18  18.21 +/- 0.37   0.001% *  0.2421% (0.43   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    VAL   18  19.10 +/- 0.35   0.001% *  0.0946% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1269 (1.81, 8.27, 122.56 ppm):
    10 chemical-shift based assignments, quality = 0.329, support = 5.47, residual support = 51.2:
          HB3   GLN   17 - HN    VAL   18   3.71 +/- 0.05  97.893% * 93.7827% (0.33   5.47  51.20) =  99.980%  kept
          QB    LYS+  65 - HN    VAL   18   7.56 +/- 0.40   1.437% *  0.9011% (0.87   0.02   0.02) =   0.014%
          HB2   LEU   71 - HN    VAL   18   9.27 +/- 0.32   0.409% *  0.8715% (0.84   0.02   0.02) =   0.004%
          QB    LYS+  66 - HN    VAL   18  10.41 +/- 0.18   0.200% *  0.8392% (0.81   0.02   0.02) =   0.002%
          HB    VAL   41 - HN    VAL   18  14.13 +/- 0.88   0.035% *  0.6500% (0.62   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   18  17.08 +/- 0.61   0.010% *  0.9958% (0.96   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   18  20.72 +/- 0.50   0.003% *  0.9696% (0.93   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    VAL   18  20.04 +/- 0.74   0.004% *  0.4890% (0.47   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   18  19.67 +/- 0.93   0.005% *  0.2505% (0.24   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   18  20.55 +/- 0.41   0.003% *  0.2505% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1270 (0.76, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.913, support = 5.25, residual support = 78.0:
          QG2   VAL   18 - HN    VAL   18   2.29 +/- 0.47  99.450% * 98.2935% (0.91   5.25  77.97) =  99.999%  kept
          QD1   ILE   19 - HN    VAL   18   6.94 +/- 0.25   0.227% *  0.2081% (0.51   0.02  22.00) =   0.000%
          QD2   LEU   73 - HN    VAL   18   6.75 +/- 0.25   0.264% *  0.0986% (0.24   0.02   0.02) =   0.000%
          QG1   VAL   43 - HN    VAL   18   9.91 +/- 0.68   0.028% *  0.3947% (0.96   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   18  10.41 +/- 0.66   0.021% *  0.3431% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    VAL   18  12.22 +/- 0.26   0.007% *  0.3651% (0.89   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   18  15.81 +/- 0.89   0.001% *  0.1484% (0.36   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   18  17.27 +/- 0.55   0.001% *  0.1484% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1271 (0.41, 8.27, 122.56 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 2.25, residual support = 7.96:
          QB    ALA   64 - HN    VAL   18   3.81 +/- 0.12  99.954% * 99.8615% (0.84   2.25   7.96) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   18  13.74 +/- 0.32   0.046% *  0.1385% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1272 (7.24, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.441, support = 3.69, residual support = 15.3:
          HN    PHE   59 - HN    PHE   60   2.76 +/- 0.07  93.340% * 94.0143% (0.44   3.69  15.33) =  99.981%  kept
          QE    PHE   59 - HN    PHE   60   5.02 +/- 0.35   2.859% *  0.3265% (0.28   0.02  15.33) =   0.011%
          QE    PHE   59 - HN    THR  118   4.88 +/- 0.24   3.207% *  0.1845% (0.16   0.02   6.03) =   0.007%
          HN    HIS  122 - HN    THR  118   6.75 +/- 0.07   0.436% *  0.2435% (0.21   0.02   2.32) =   0.001%
          HN    LYS+  66 - HN    PHE   60   8.64 +/- 0.10   0.099% *  0.0943% (0.08   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    THR  118  10.90 +/- 0.30   0.025% *  0.2877% (0.25   0.02   6.03) =   0.000%
          HN    HIS  122 - HN    PHE   60  11.77 +/- 0.22   0.016% *  0.4310% (0.37   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    GLU-  15  13.77 +/- 0.65   0.006% *  0.2020% (0.18   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    GLU-  15  18.47 +/- 0.64   0.001% *  0.6995% (0.61   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    GLU-  15  20.90 +/- 0.65   0.001% *  1.0909% (0.95   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    PHE   60  18.35 +/- 0.40   0.001% *  0.3908% (0.34   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    GLU-  15  21.40 +/- 0.86   0.000% *  0.9235% (0.80   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    THR  118  13.27 +/- 0.41   0.008% *  0.0533% (0.05   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    GLU-  15  21.71 +/- 1.11   0.000% *  0.8374% (0.73   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    THR  118  18.03 +/- 0.52   0.001% *  0.2209% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1273 (7.72, 8.20, 120.98 ppm):
    18 chemical-shift based assignments, quality = 0.467, support = 4.74, residual support = 40.9:
          HN    ALA   61 - HN    PHE   60   2.74 +/- 0.09  99.970% * 94.4884% (0.47   4.74  40.87) = 100.000%  kept
          HN    ALA   61 - HN    THR  118  13.13 +/- 0.24   0.008% *  0.2254% (0.26   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    GLU-  15  16.80 +/- 0.68   0.002% *  0.8548% (1.00   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLU-  15  16.94 +/- 1.10   0.002% *  0.6533% (0.76   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    PHE   60  15.88 +/- 0.47   0.003% *  0.3954% (0.46   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLU-  15  14.19 +/- 1.04   0.006% *  0.1692% (0.20   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    PHE   60  17.04 +/- 0.38   0.002% *  0.3461% (0.40   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR  118  16.78 +/- 0.45   0.002% *  0.1956% (0.23   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR  118  18.50 +/- 0.83   0.001% *  0.2234% (0.26   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLU-  15  23.89 +/- 1.06   0.000% *  0.7415% (0.87   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    PHE   60  20.68 +/- 0.44   0.001% *  0.3049% (0.36   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    PHE   60  18.46 +/- 0.42   0.001% *  0.0699% (0.08   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLU-  15  28.11 +/- 1.07   0.000% *  0.8472% (0.99   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLU-  15  23.17 +/- 1.07   0.000% *  0.1497% (0.18   0.02   0.02) =   0.000%
          HN    THR   39 - HN    PHE   60  21.05 +/- 0.41   0.000% *  0.0790% (0.09   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    THR  118  25.85 +/- 0.45   0.000% *  0.1723% (0.20   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    THR  118  20.71 +/- 0.43   0.001% *  0.0395% (0.05   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR  118  21.57 +/- 0.33   0.000% *  0.0446% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 4.64, residual support = 70.2:
      O   HB3   PHE   60 - HN    PHE   60   2.75 +/- 0.16  99.828% * 95.5124% (0.47   4.64  70.18) = 100.000%  kept
          QE    LYS+ 106 - HN    THR  118   9.88 +/- 1.38   0.088% *  0.2202% (0.25   0.02   2.26) =   0.000%
          HB2   PHE   97 - HN    THR  118  10.09 +/- 0.29   0.044% *  0.1225% (0.14   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    THR  118  11.56 +/- 0.27   0.019% *  0.2328% (0.26   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    PHE   60  14.45 +/- 0.59   0.005% *  0.3896% (0.44   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    PHE   60  13.31 +/- 0.25   0.008% *  0.2167% (0.25   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    GLU-  15  17.76 +/- 0.82   0.002% *  0.8825% (1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    GLU-  15  17.11 +/- 1.12   0.002% *  0.4296% (0.49   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    GLU-  15  20.33 +/- 0.95   0.001% *  0.4643% (0.53   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    GLU-  15  18.06 +/- 1.26   0.001% *  0.2201% (0.25   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   60  18.53 +/- 0.55   0.001% *  0.2005% (0.23   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    GLU-  15  24.00 +/- 1.03   0.000% *  0.8348% (0.95   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    THR  118  23.42 +/- 0.51   0.000% *  0.1133% (0.13   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    PHE   60  23.88 +/- 0.81   0.000% *  0.1027% (0.12   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    THR  118  24.54 +/- 0.56   0.000% *  0.0580% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1275 (3.15, 8.20, 120.98 ppm):
    6 chemical-shift based assignments, quality = 0.39, support = 4.0, residual support = 15.3:
          HB3   PHE   59 - HN    PHE   60   2.99 +/- 0.64  99.634% * 96.9664% (0.39   4.00  15.33) =  99.999%  kept
          HB3   PHE   59 - HN    THR  118   8.94 +/- 0.47   0.358% *  0.2737% (0.22   0.02   6.03) =   0.001%
          HB3   TRP   49 - HN    PHE   60  17.08 +/- 0.16   0.005% *  0.4644% (0.37   0.02   0.02) =   0.000%
          HB3   PHE   59 - HN    GLU-  15  21.41 +/- 0.86   0.001% *  1.0380% (0.84   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    GLU-  15  29.63 +/- 1.02   0.000% *  0.9950% (0.80   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    THR  118  24.16 +/- 0.28   0.001% *  0.2624% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1276 (3.37, 8.20, 120.98 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 1277 (8.66, 8.17, 120.70 ppm):
    6 chemical-shift based assignments, quality = 0.168, support = 2.93, residual support = 4.9:
        T HN    SER  117 - HN    THR  118   2.66 +/- 0.07  99.985% * 95.6189% (0.17   2.93   4.90) = 100.000%  kept
        T HN    SER  117 - HN    PHE   60  12.07 +/- 0.35   0.012% *  1.1819% (0.30   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    PHE   60  15.70 +/- 0.41   0.002% *  1.3149% (0.34   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    THR  118  21.43 +/- 0.52   0.000% *  0.7261% (0.19   0.02   0.02) =   0.000%
          HN    SER   82 - HN    PHE   60  22.71 +/- 0.42   0.000% *  0.7461% (0.19   0.02   0.02) =   0.000%
          HN    SER   82 - HN    THR  118  27.11 +/- 0.42   0.000% *  0.4120% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1278 (0.24, 8.17, 120.70 ppm):
    2 chemical-shift based assignments, quality = 0.129, support = 4.25, residual support = 36.5:
          QG2   THR  118 - HN    THR  118   3.67 +/- 0.02  99.082% * 99.1553% (0.13   4.25  36.54) =  99.992%  kept
          QG2   THR  118 - HN    PHE   60   8.02 +/- 0.27   0.918% *  0.8447% (0.23   0.02   0.02) =   0.008%
    Distance limit 4.29 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 = 0.142, support = 4.07, residual support = 53.3:
      O   HA    PHE   60 - HN    PHE   60   2.80 +/- 0.02  17.291% * 77.6826% (0.22   4.64  70.18) =  54.830%  kept
      O   HB    THR  118 - HN    THR  118   2.24 +/- 0.05  66.127% * 15.0045% (0.05   3.77  36.54) =  40.503%  kept
          QB    SER  117 - HN    THR  118   2.82 +/- 0.07  16.561% *  6.9040% (0.03   3.13   4.90) =   4.667%
          HB    THR  118 - HN    PHE   60   9.40 +/- 0.21   0.012% *  0.1440% (0.09   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    THR  118  10.46 +/- 0.25   0.006% *  0.1850% (0.12   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  12.37 +/- 0.24   0.002% *  0.0799% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.145, support = 3.74, residual support = 36.5:
      O   HA    THR  118 - HN    THR  118   2.86 +/- 0.02  86.614% * 35.9406% (0.14   3.65  36.54) =  94.397%  kept
          HA    ILE  119 - HN    THR  118   5.02 +/- 0.05   2.990% * 61.4864% (0.17   5.32  35.64) =   5.575%  kept
          HD3   PRO   58 - HN    PHE   60   4.10 +/- 0.12  10.222% *  0.0818% (0.06   0.02   0.02) =   0.025%
          HA    ILE  119 - HN    PHE   60   8.77 +/- 0.16   0.106% *  0.4186% (0.30   0.02   0.02) =   0.001%
          HA    THR  118 - HN    PHE   60  11.95 +/- 0.20   0.016% *  0.3567% (0.26   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    PHE   60  12.36 +/- 0.23   0.013% *  0.2093% (0.15   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    THR  118  12.40 +/- 0.16   0.013% *  0.1156% (0.08   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    PHE   60  16.10 +/- 0.11   0.003% *  0.3899% (0.28   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    PHE   60  14.17 +/- 0.31   0.006% *  0.1752% (0.13   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    THR  118  12.45 +/- 0.26   0.013% *  0.0451% (0.03   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    PHE   60  17.44 +/- 0.37   0.002% *  0.3020% (0.22   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    THR  118  20.46 +/- 0.38   0.001% *  0.1668% (0.12   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    THR  118  23.39 +/- 0.24   0.000% *  0.2153% (0.16   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    THR  118  20.86 +/- 0.28   0.001% *  0.0967% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.919, support = 0.0197, residual support = 14.2:
      O   HA    PHE   59 - HN    PHE   60   3.63 +/- 0.01  66.932% * 16.0661% (0.99   0.02  15.33) =  91.896%  kept
          HA    ILE   56 - HN    PHE   60   4.14 +/- 0.16  30.812% *  2.4844% (0.15   0.02   2.15) =   6.542%  kept
          HA    ASP- 113 - HN    THR  118   6.60 +/- 0.22   1.866% *  7.8708% (0.48   0.02   0.02) =   1.255%
          HA    PHE   59 - HN    THR  118   9.39 +/- 0.37   0.230% * 12.9479% (0.80   0.02   6.03) =   0.254%
          HA    ASP- 113 - HN    PHE   60  13.13 +/- 0.44   0.030% *  9.7663% (0.60   0.02   0.02) =   0.025%
          HA    ILE   56 - HN    THR  118  10.78 +/- 0.22   0.098% *  2.0022% (0.12   0.02   0.02) =   0.017%
          HA    TRP   87 - HN    PHE   60  18.95 +/- 0.32   0.003% *  9.7663% (0.60   0.02   0.02) =   0.003%
          HA    TRP   87 - HN    THR  118  19.07 +/- 0.44   0.003% *  7.8708% (0.48   0.02   0.02) =   0.002%
          HA    LYS+  99 - HN    THR  118  17.45 +/- 0.19   0.005% *  3.6080% (0.22   0.02   0.02) =   0.002%
          HA    PHE   59 - HN    GLU-  15  20.07 +/- 0.63   0.002% *  6.3895% (0.39   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    PHE   60  19.06 +/- 0.29   0.003% *  4.4769% (0.28   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLU-  15  18.03 +/- 1.11   0.005% *  1.7805% (0.11   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    GLU-  15  17.60 +/- 1.05   0.006% *  1.1215% (0.07   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    PHE   60  22.98 +/- 0.42   0.001% *  2.8199% (0.17   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    THR  118  22.97 +/- 0.36   0.001% *  2.2726% (0.14   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU-  15  25.88 +/- 1.05   0.001% *  3.8841% (0.24   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  15  22.90 +/- 0.70   0.001% *  0.9881% (0.06   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU-  15  30.47 +/- 0.84   0.000% *  3.8841% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 17 structures by 0.14 A, eliminated.
    Peak unassigned.
 
    Peak 1283 (3.91, 8.18, 120.93 ppm):
    15 chemical-shift based assignments, quality = 0.841, support = 4.35, residual support = 57.6:
      O   HA    PHE   60 - HN    PHE   60   2.80 +/- 0.02  51.271% * 78.9973% (0.96   4.64  70.18) =  80.712%  kept
          QB    SER  117 - HN    THR  118   2.82 +/- 0.07  48.498% * 19.9569% (0.36   3.13   4.90) =  19.287%  kept
          HA    LYS+ 121 - HN    THR  118   7.17 +/- 0.16   0.183% *  0.0498% (0.14   0.02   7.46) =   0.000%
          HA    PHE   60 - HN    THR  118  10.46 +/- 0.25   0.019% *  0.2745% (0.77   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  12.37 +/- 0.24   0.007% *  0.1582% (0.44   0.02   0.02) =   0.000%
          HB    THR   94 - HN    PHE   60  11.67 +/- 0.28   0.010% *  0.0478% (0.13   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    PHE   60  12.93 +/- 0.11   0.005% *  0.0786% (0.22   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   60  14.76 +/- 0.19   0.002% *  0.0618% (0.17   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    GLU-  15  17.00 +/- 0.67   0.001% *  0.1355% (0.38   0.02   0.02) =   0.000%
          HB    THR   94 - HN    THR  118  13.88 +/- 0.37   0.004% *  0.0385% (0.11   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR  118  20.70 +/- 0.23   0.000% *  0.0633% (0.18   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLU-  15  25.39 +/- 0.71   0.000% *  0.0629% (0.18   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLU-  15  23.82 +/- 0.79   0.000% *  0.0246% (0.07   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLU-  15  23.69 +/- 0.97   0.000% *  0.0190% (0.05   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    GLU-  15  27.57 +/- 0.90   0.000% *  0.0313% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.421, support = 2.84, residual support = 11.9:
          QG    GLU-  14 - HN    GLU-  15   3.30 +/- 0.77  47.332% * 17.1345% (0.36   2.43   1.71) =  44.012%  kept
          QG    GLU-  15 - HN    GLU-  15   3.22 +/- 0.63  45.158% * 14.2971% (0.32   2.33  10.42) =  35.037%  kept
          HG12  ILE  119 - HN    THR  118   4.38 +/- 0.28   6.097% * 63.2720% (0.72   4.55  35.64) =  20.934%  kept
          HB2   ASP-  44 - HN    PHE   60   6.61 +/- 0.35   0.560% *  0.3450% (0.89   0.02   3.11) =   0.010%
          HG12  ILE  119 - HN    PHE   60   7.63 +/- 0.40   0.230% *  0.3450% (0.89   0.02   0.02) =   0.004%
          HB3   PHE   72 - HN    PHE   60   9.72 +/- 0.52   0.049% *  0.3712% (0.96   0.02   5.21) =   0.001%
          HB2   ASP- 105 - HN    THR  118   6.87 +/- 0.23   0.415% *  0.0420% (0.11   0.02   5.43) =   0.001%
          HB3   PHE   72 - HN    GLU-  15  10.73 +/- 1.09   0.039% *  0.1476% (0.38   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLU-  15  10.23 +/- 1.31   0.079% *  0.0522% (0.13   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    THR  118  13.59 +/- 0.70   0.007% *  0.2780% (0.72   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    PHE   60  13.64 +/- 0.57   0.007% *  0.1581% (0.41   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   60  16.22 +/- 0.46   0.002% *  0.3813% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    PHE   60  16.61 +/- 0.82   0.002% *  0.3080% (0.79   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    THR  118  16.19 +/- 0.46   0.002% *  0.2992% (0.77   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    PHE   60  13.13 +/- 0.37   0.008% *  0.0521% (0.13   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    THR  118  18.89 +/- 1.35   0.001% *  0.3073% (0.79   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  15  16.17 +/- 1.01   0.003% *  0.1372% (0.35   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLU-  15  15.06 +/- 1.25   0.004% *  0.0805% (0.21   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    PHE   60  18.88 +/- 1.01   0.001% *  0.3551% (0.91   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    THR  118  16.79 +/- 0.76   0.002% *  0.1274% (0.33   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR  118  21.32 +/- 1.14   0.001% *  0.2482% (0.64   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR  118  25.03 +/- 1.20   0.000% *  0.2862% (0.74   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   60  23.96 +/- 0.52   0.000% *  0.2024% (0.52   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  15  23.10 +/- 0.81   0.000% *  0.1372% (0.35   0.02   0.02) =   0.000%
          QB    MET   11 - HN    PHE   60  25.18 +/- 2.44   0.000% *  0.1312% (0.34   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  15  25.04 +/- 1.53   0.000% *  0.1516% (0.39   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    THR  118  28.70 +/- 0.39   0.000% *  0.1631% (0.42   0.02   0.02) =   0.000%
          QB    MET   11 - HN    THR  118  30.54 +/- 1.84   0.000% *  0.1057% (0.27   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  15  22.97 +/- 0.89   0.000% *  0.0207% (0.05   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  15  29.37 +/- 1.32   0.000% *  0.0629% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 0.182, support = 1.82, residual support = 7.81:
      O   QB    GLU-  15 - HN    GLU-  15   3.09 +/- 0.33  88.582% * 10.5697% (0.06   2.11  10.42) =  74.483%  kept
          QB    GLU- 114 - HN    THR  118   5.11 +/- 0.20   5.022% * 46.4794% (0.48   1.16   0.23) =  18.571%  kept
          HB2   LEU  115 - HN    THR  118   5.47 +/- 0.07   3.191% * 26.4807% (0.69   0.46   0.13) =   6.723%  kept
          HG3   PRO   58 - HN    PHE   60   6.39 +/- 0.11   1.263% *  1.4643% (0.89   0.02   0.02) =   0.147%
          HB2   LEU  115 - HN    PHE   60   7.93 +/- 0.38   0.367% *  1.4163% (0.86   0.02   0.02) =   0.041%
          HB    ILE   19 - HN    GLU-  15   8.91 +/- 0.94   0.237% *  0.4460% (0.27   0.02   0.02) =   0.008%
          HB2   GLN   17 - HN    GLU-  15   6.90 +/- 0.54   0.888% *  0.1002% (0.06   0.02   0.80) =   0.007%
          QB    GLU- 114 - HN    PHE   60  10.79 +/- 0.30   0.056% *  0.9903% (0.60   0.02   0.02) =   0.004%
          HB2   LEU   67 - HN    PHE   60  10.65 +/- 0.56   0.062% *  0.7947% (0.48   0.02   0.02) =   0.004%
          HB    VAL   18 - HN    PHE   60   9.66 +/- 0.45   0.105% *  0.4071% (0.25   0.02   0.02) =   0.003%
          HG2   PRO   68 - HN    GLU-  15  11.09 +/- 0.78   0.047% *  0.4962% (0.30   0.02   0.02) =   0.002%
          HG3   PRO   58 - HN    THR  118  14.04 +/- 0.34   0.011% *  1.1801% (0.72   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    GLU-  15  10.31 +/- 0.72   0.078% *  0.1619% (0.10   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    PHE   60  14.67 +/- 0.19   0.009% *  1.2478% (0.76   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    PHE   60  14.66 +/- 0.24   0.009% *  1.1215% (0.68   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    THR  118  13.49 +/- 0.51   0.015% *  0.6405% (0.39   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    GLU-  15  12.27 +/- 0.85   0.027% *  0.3161% (0.19   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    PHE   60  13.18 +/- 0.39   0.016% *  0.2519% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    THR  118  18.27 +/- 0.42   0.002% *  1.0056% (0.61   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   60  16.33 +/- 0.44   0.005% *  0.2519% (0.15   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    THR  118  21.17 +/- 0.25   0.001% *  0.9039% (0.55   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    THR  118  18.10 +/- 1.00   0.002% *  0.3281% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    GLU-  15  23.14 +/- 0.69   0.001% *  0.5823% (0.35   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU-  15  19.79 +/- 1.38   0.002% *  0.1805% (0.11   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR  118  21.10 +/- 0.66   0.001% *  0.2030% (0.12   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    GLU-  15  25.25 +/- 0.88   0.000% *  0.5633% (0.34   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR  118  21.68 +/- 0.42   0.001% *  0.2030% (0.12   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  15  24.88 +/- 0.72   0.000% *  0.3938% (0.24   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   60  25.52 +/- 0.38   0.000% *  0.4540% (0.28   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    THR  118  30.99 +/- 0.40   0.000% *  0.3658% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1288 (1.69, 8.20, 120.98 ppm):
    30 chemical-shift based assignments, quality = 0.0922, support = 2.15, residual support = 2.15:
          QG1   ILE   56 - HN    PHE   60   4.06 +/- 0.18  94.291% * 44.7896% (0.09   2.15   2.15) =  99.851%  kept
          HG3   PRO   93 - HN    PHE   60   8.18 +/- 0.37   1.469% *  1.6074% (0.36   0.02   0.02) =   0.056%
          HB2   LEU  123 - HN    THR  118   8.96 +/- 0.18   0.851% *  0.9517% (0.21   0.02   0.02) =   0.019%
          HD2   LYS+ 111 - HN    THR  118   9.51 +/- 0.54   0.616% *  1.1650% (0.26   0.02   0.02) =   0.017%
          QD    LYS+ 106 - HN    THR  118   9.98 +/- 1.23   0.619% *  0.9928% (0.22   0.02   2.26) =   0.015%
          QG1   ILE   56 - HN    THR  118   8.23 +/- 0.14   1.423% *  0.2352% (0.05   0.02   0.02) =   0.008%
          HB2   LEU   73 - HN    GLU-  15  13.68 +/- 0.98   0.075% *  4.3493% (0.97   0.02   0.02) =   0.008%
          HB3   MET   92 - HN    PHE   60  12.04 +/- 0.39   0.145% *  2.1033% (0.47   0.02   0.02) =   0.007%
          HB2   LEU   73 - HN    PHE   60  13.58 +/- 0.50   0.074% *  2.0298% (0.45   0.02   0.21) =   0.004%
          HD2   LYS+ 111 - HN    PHE   60  14.03 +/- 0.40   0.057% *  2.0617% (0.46   0.02   0.02) =   0.003%
          QD    LYS+ 106 - HN    PHE   60  14.26 +/- 0.78   0.054% *  1.7568% (0.39   0.02   0.02) =   0.002%
          QD    LYS+  99 - HN    GLU-  15  16.54 +/- 1.28   0.025% *  3.6087% (0.80   0.02   0.02) =   0.002%
          HB2   LEU  123 - HN    PHE   60  14.58 +/- 0.29   0.046% *  1.6842% (0.37   0.02   0.02) =   0.002%
          HB3   MET   92 - HN    THR  118  14.55 +/- 0.64   0.048% *  1.1886% (0.26   0.02   0.02) =   0.001%
          HG3   PRO   93 - HN    THR  118  13.86 +/- 0.29   0.062% *  0.9083% (0.20   0.02   0.02) =   0.001%
          QD    LYS+  99 - HN    THR  118  14.81 +/- 0.39   0.041% *  0.9517% (0.21   0.02   0.02) =   0.001%
          QD    LYS+  99 - HN    PHE   60  17.33 +/- 0.71   0.017% *  1.6842% (0.37   0.02   0.02) =   0.001%
          QD    LYS+  38 - HN    GLU-  15  16.86 +/- 1.50   0.023% *  1.0033% (0.22   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    THR  118  16.66 +/- 1.48   0.025% *  0.6729% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    THR  118  18.92 +/- 0.88   0.010% *  1.1471% (0.25   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    GLU-  15  23.23 +/- 1.26   0.003% *  3.7643% (0.84   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    GLU-  15  24.09 +/- 0.93   0.002% *  3.6087% (0.80   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    GLU-  15  24.60 +/- 0.88   0.002% *  3.4441% (0.76   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    PHE   60  21.08 +/- 1.35   0.006% *  1.1908% (0.26   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    GLU-  15  23.74 +/- 1.09   0.003% *  2.5515% (0.57   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    GLU-  15  20.46 +/- 0.63   0.006% *  0.8919% (0.20   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    GLU-  15  27.58 +/- 1.16   0.001% *  4.5067% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    GLU-  15  31.54 +/- 0.86   0.000% *  4.4174% (0.98   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    PHE   60  23.38 +/- 0.31   0.003% *  0.4683% (0.10   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    THR  118  22.29 +/- 0.69   0.004% *  0.2646% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1289 (1.41, 8.20, 120.98 ppm):
    33 chemical-shift based assignments, quality = 0.245, support = 2.65, residual support = 40.7:
          QB    ALA   61 - HN    PHE   60   4.30 +/- 0.08  77.714% * 72.5859% (0.25   2.67  40.87) =  99.584%  kept
          HG12  ILE   19 - HN    GLU-  15   6.91 +/- 1.09   7.588% *  1.8530% (0.84   0.02   0.02) =   0.248%
          QB    ALA   12 - HN    GLU-  15   7.41 +/- 0.74   3.641% *  0.8326% (0.38   0.02   0.02) =   0.054%
          QB    ALA  110 - HN    PHE   60   7.34 +/- 0.27   3.296% *  0.7913% (0.36   0.02   0.02) =   0.046%
          HD3   LYS+ 121 - HN    THR  118   7.19 +/- 0.81   4.476% *  0.5401% (0.24   0.02   7.46) =   0.043%
          QG    LYS+  66 - HN    PHE   60   8.62 +/- 0.70   1.325% *  0.2305% (0.10   0.02   0.02) =   0.005%
          QB    ALA  110 - HN    THR  118  10.16 +/- 0.20   0.451% *  0.4471% (0.20   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HN    GLU-  15  14.06 +/- 0.95   0.068% *  1.9896% (0.90   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HN    PHE   60  12.47 +/- 0.56   0.135% *  0.9286% (0.42   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    GLU-  15  13.12 +/- 0.64   0.102% *  1.1672% (0.53   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    GLU-  15  12.49 +/- 0.75   0.139% *  0.8326% (0.38   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    PHE   60  11.47 +/- 0.95   0.249% *  0.3886% (0.18   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - HN    PHE   60  14.53 +/- 0.50   0.054% *  0.9558% (0.43   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    THR  118  10.80 +/- 0.50   0.329% *  0.1303% (0.06   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    THR  118  12.80 +/- 0.26   0.113% *  0.3078% (0.14   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    GLU-  15  17.37 +/- 1.05   0.019% *  1.4351% (0.65   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    GLU-  15  14.70 +/- 0.68   0.052% *  0.4939% (0.22   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    PHE   60  16.05 +/- 0.46   0.029% *  0.8648% (0.39   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    PHE   60  15.78 +/- 0.33   0.032% *  0.6698% (0.30   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    THR  118  14.71 +/- 0.34   0.049% *  0.3785% (0.17   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    THR  118  13.69 +/- 0.54   0.077% *  0.2196% (0.10   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    PHE   60  19.21 +/- 1.04   0.010% *  1.0262% (0.46   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    GLU-  15  20.66 +/- 1.29   0.007% *  1.6109% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLU-  15  21.71 +/- 1.06   0.005% *  2.1988% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    PHE   60  19.14 +/- 1.07   0.011% *  0.7518% (0.34   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLU-  15  23.04 +/- 1.25   0.003% *  2.0479% (0.92   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLU-  15  22.25 +/- 0.70   0.004% *  1.6954% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    THR  118  20.84 +/- 0.49   0.006% *  0.5247% (0.24   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    PHE   60  21.69 +/- 2.12   0.006% *  0.3886% (0.18   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    THR  118  22.73 +/- 0.63   0.004% *  0.4887% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    THR  118  24.26 +/- 1.01   0.003% *  0.5799% (0.26   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    THR  118  24.57 +/- 1.14   0.002% *  0.4249% (0.19   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR  118  27.15 +/- 1.76   0.001% *  0.2196% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.65 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 = 0.895, support = 3.85, residual support = 26.2:
      O   QB    ALA   34 - HN    ALA   34   2.07 +/- 0.08  99.106% * 96.3514% (0.89   3.85  26.17) =  99.996%  kept
          QG2   THR   23 - HN    LEU   80   4.92 +/- 0.36   0.632% *  0.4959% (0.89   0.02  10.39) =   0.003%
          QG2   THR   39 - HN    ALA   34   6.16 +/- 0.60   0.199% *  0.1553% (0.28   0.02   7.75) =   0.000%
          QG2   THR   77 - HN    LEU   80   7.71 +/- 0.59   0.044% *  0.1114% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   34   9.29 +/- 0.60   0.013% *  0.2939% (0.52   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  14.03 +/- 0.40   0.001% *  0.5536% (0.99   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  15.12 +/- 0.45   0.001% *  0.4487% (0.80   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  14.72 +/- 0.50   0.001% *  0.3633% (0.65   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   80  12.62 +/- 0.50   0.002% *  0.1391% (0.25   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  18.37 +/- 0.28   0.000% *  0.4056% (0.72   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  17.16 +/- 0.38   0.000% *  0.1244% (0.22   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    LEU   80  18.76 +/- 0.58   0.000% *  0.1391% (0.25   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ALA   34  21.65 +/- 0.48   0.000% *  0.1553% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   80  26.59 +/- 0.50   0.000% *  0.2632% (0.47   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 0.565, support = 3.64, residual support = 26.2:
      O   HA    ALA   34 - HN    ALA   34   2.78 +/- 0.02  97.234% * 91.2408% (0.56   3.64  26.17) =  99.987%  kept
          HA    LYS+  81 - HN    LEU   80   5.27 +/- 0.09   2.099% *  0.4169% (0.47   0.02  30.70) =   0.010%
          HA    ASN   28 - HN    ALA   34   7.65 +/- 0.17   0.227% *  0.6761% (0.76   0.02   0.02) =   0.002%
          HA    GLU-  36 - HN    ALA   34   7.11 +/- 0.07   0.348% *  0.3637% (0.41   0.02   0.02) =   0.001%
          HA1   GLY  101 - HN    ALA   34   9.60 +/- 1.36   0.074% *  0.3320% (0.37   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU   80  12.36 +/- 0.60   0.013% *  0.6055% (0.68   0.02   0.95) =   0.000%
          HA    ARG+  54 - HN    LEU   80  20.15 +/- 0.77   0.001% *  0.7767% (0.88   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  20.19 +/- 0.32   0.001% *  0.4654% (0.52   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  20.17 +/- 0.52   0.001% *  0.4486% (0.51   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  22.35 +/- 0.23   0.000% *  0.6424% (0.72   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  20.60 +/- 1.58   0.001% *  0.2974% (0.34   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  24.23 +/- 0.98   0.000% *  0.8166% (0.92   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  23.36 +/- 0.63   0.000% *  0.5754% (0.65   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  26.83 +/- 0.53   0.000% *  0.8671% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  24.24 +/- 0.54   0.000% *  0.3258% (0.37   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  25.66 +/- 0.27   0.000% *  0.2206% (0.25   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  26.24 +/- 0.60   0.000% *  0.1976% (0.22   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  34.13 +/- 0.86   0.000% *  0.7314% (0.82   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 0.989, support = 6.84, residual support = 48.2:
      O   HA    LYS+  33 - HN    ALA   34   3.63 +/- 0.02  73.151% * 96.3999% (0.99   6.85  48.18) =  99.963%  kept
          HA    GLN   32 - HN    ALA   34   4.84 +/- 0.14  13.157% *  0.0969% (0.34   0.02   0.02) =   0.018%
          HB2   SER   37 - HN    ALA   34   5.46 +/- 0.90  10.415% *  0.0498% (0.17   0.02   0.28) =   0.007%
          HA    GLU-  29 - HN    ALA   34   7.11 +/- 0.24   1.311% *  0.2817% (0.99   0.02   0.02) =   0.005%
          HB2   SER   82 - HN    LEU   80   7.17 +/- 0.58   1.417% *  0.2408% (0.85   0.02   0.18) =   0.005%
          HA    VAL   70 - HN    ALA   34   9.17 +/- 0.35   0.288% *  0.2275% (0.80   0.02   0.02) =   0.001%
          HA    SER   48 - HN    LEU   80  10.59 +/- 0.49   0.125% *  0.1544% (0.54   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   34  12.15 +/- 0.51   0.053% *  0.2785% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  14.96 +/- 0.39   0.015% *  0.2523% (0.89   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  13.16 +/- 0.32   0.033% *  0.0955% (0.34   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  16.37 +/- 0.42   0.009% *  0.2495% (0.88   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  18.93 +/- 0.98   0.004% *  0.2688% (0.94   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  20.16 +/- 0.47   0.003% *  0.2523% (0.89   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  16.53 +/- 0.61   0.008% *  0.0504% (0.18   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  18.38 +/- 0.58   0.004% *  0.0868% (0.30   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  21.76 +/- 0.43   0.002% *  0.2038% (0.72   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  21.60 +/- 0.23   0.002% *  0.1067% (0.37   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  25.62 +/- 0.32   0.001% *  0.2275% (0.80   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  24.76 +/- 0.41   0.001% *  0.1724% (0.61   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  27.27 +/- 0.67   0.000% *  0.2038% (0.72   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  23.08 +/- 0.96   0.001% *  0.0446% (0.16   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  26.67 +/- 0.34   0.000% *  0.0562% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 0.762, support = 5.74, residual support = 48.2:
          HG3   LYS+  33 - HN    ALA   34   3.38 +/- 0.20  92.272% * 92.8573% (0.76   5.74  48.18) =  99.980%  kept
          QB    ALA   84 - HN    LEU   80   5.36 +/- 0.34   6.560% *  0.2299% (0.54   0.02   0.02) =   0.018%
          HB3   LEU   73 - HN    ALA   34   9.38 +/- 0.42   0.226% *  0.3795% (0.89   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    ALA   34   8.28 +/- 0.35   0.481% *  0.0741% (0.17   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   34  10.58 +/- 1.52   0.163% *  0.2060% (0.49   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   34  10.84 +/- 0.30   0.092% *  0.3534% (0.83   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   80  10.94 +/- 0.58   0.088% *  0.3399% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   34  14.80 +/- 1.12   0.017% *  0.3906% (0.92   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   34  15.38 +/- 2.26   0.017% *  0.1588% (0.37   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   34  17.13 +/- 0.82   0.006% *  0.4222% (1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA   34  15.61 +/- 0.28   0.010% *  0.2566% (0.61   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   80  16.11 +/- 0.59   0.008% *  0.2452% (0.58   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LEU   80  17.94 +/- 0.57   0.004% *  0.3166% (0.75   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   80  15.15 +/- 0.78   0.013% *  0.0945% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   80  19.23 +/- 1.45   0.004% *  0.2896% (0.68   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   34  19.47 +/- 0.90   0.003% *  0.3534% (0.83   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   34  16.05 +/- 0.39   0.009% *  0.1055% (0.25   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   80  18.08 +/- 1.08   0.005% *  0.1845% (0.44   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   80  20.64 +/- 1.05   0.002% *  0.3781% (0.89   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LEU   80  16.23 +/- 0.53   0.008% *  0.0664% (0.16   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   34  21.48 +/- 0.46   0.001% *  0.2737% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   34  17.44 +/- 0.61   0.005% *  0.0741% (0.17   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   80  23.60 +/- 1.31   0.001% *  0.3166% (0.75   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   34  21.10 +/- 0.79   0.002% *  0.1588% (0.37   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   80  24.96 +/- 1.00   0.001% *  0.3498% (0.82   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   80  23.03 +/- 2.28   0.001% *  0.1422% (0.34   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   80  26.43 +/- 0.61   0.000% *  0.3657% (0.86   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   80  20.64 +/- 0.78   0.002% *  0.0664% (0.16   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   34  29.28 +/- 0.29   0.000% *  0.4083% (0.96   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   80  29.26 +/- 0.73   0.000% *  0.1422% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 4 structures by 0.05 A, kept.
 
    Peak 1295 (1.87, 8.08, 121.56 ppm):
    26 chemical-shift based assignments, quality = 0.724, support = 5.94, residual support = 48.2:
          QB    LYS+  33 - HN    ALA   34   2.73 +/- 0.21  95.435% * 93.0593% (0.72   5.94  48.18) =  99.984%  kept
          HB3   GLN   30 - HN    ALA   34   5.30 +/- 0.63   2.520% *  0.2966% (0.69   0.02   0.30) =   0.008%
          QB    LYS+  81 - HN    LEU   80   5.40 +/- 0.31   1.915% *  0.3354% (0.78   0.02  30.70) =   0.007%
          HB3   LYS+  38 - HN    ALA   34   9.15 +/- 0.26   0.073% *  0.3745% (0.87   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   80  11.36 +/- 1.51   0.025% *  0.3096% (0.72   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  12.99 +/- 0.90   0.010% *  0.2656% (0.61   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  15.35 +/- 0.64   0.003% *  0.3872% (0.89   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  15.32 +/- 0.53   0.003% *  0.2272% (0.52   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  16.91 +/- 0.73   0.002% *  0.3468% (0.80   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  16.46 +/- 0.49   0.002% *  0.2808% (0.65   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  16.30 +/- 0.30   0.002% *  0.2619% (0.61   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  16.54 +/- 0.86   0.002% *  0.2035% (0.47   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  16.81 +/- 0.41   0.002% *  0.2102% (0.49   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  19.56 +/- 0.62   0.001% *  0.3732% (0.86   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  19.75 +/- 0.32   0.001% *  0.3745% (0.87   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  20.12 +/- 1.22   0.001% *  0.2189% (0.51   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  21.06 +/- 0.69   0.001% *  0.2035% (0.47   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  22.13 +/- 0.92   0.000% *  0.2345% (0.54   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  23.70 +/- 0.88   0.000% *  0.3457% (0.80   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  24.37 +/- 0.32   0.000% *  0.4167% (0.96   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  26.47 +/- 0.42   0.000% *  0.3354% (0.78   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  25.47 +/- 0.42   0.000% *  0.2272% (0.52   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  24.81 +/- 0.63   0.000% *  0.1319% (0.30   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  25.64 +/- 0.39   0.000% *  0.1473% (0.34   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  28.18 +/- 0.72   0.000% *  0.2444% (0.56   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  27.58 +/- 0.47   0.000% *  0.1882% (0.44   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1296 (4.83, 8.09, 121.65 ppm):
    10 chemical-shift based assignments, quality = 0.492, support = 7.34, residual support = 78.9:
      O   HA    LEU   80 - HN    LEU   80   2.40 +/- 0.23  96.263% * 49.4697% (0.50   7.42  79.86) =  98.857%  kept
          HA    THR   23 - HN    LEU   80   4.30 +/- 0.15   3.294% * 14.1910% (0.85   1.25  10.39) =   0.970%
          HA    ASP-  78 - HN    LEU   80   6.89 +/- 0.23   0.234% * 35.5772% (0.94   2.81   1.04) =   0.173%
          HB    THR   23 - HN    LEU   80   6.83 +/- 0.32   0.204% *  0.0951% (0.36   0.02  10.39) =   0.000%
          HA    THR   23 - HN    ALA   34  15.49 +/- 0.18   0.002% *  0.1879% (0.70   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ALA   34  15.02 +/- 0.36   0.002% *  0.0786% (0.29   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ALA   34  17.59 +/- 0.68   0.001% *  0.1103% (0.41   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  23.40 +/- 0.32   0.000% *  0.2091% (0.78   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ALA   34  17.53 +/- 0.31   0.001% *  0.0367% (0.14   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LEU   80  23.09 +/- 0.56   0.000% *  0.0444% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1297 (4.26, 8.09, 121.65 ppm):
    20 chemical-shift based assignments, quality = 0.757, support = 5.36, residual support = 47.7:
      O   HA    GLU-  79 - HN    LEU   80   2.97 +/- 0.26  99.270% * 95.9721% (0.76   5.36  47.72) =  99.998%  kept
          HA    THR   39 - HN    ALA   34   7.80 +/- 0.32   0.356% *  0.3205% (0.68   0.02   7.75) =   0.001%
          HB    THR   77 - HN    LEU   80   8.72 +/- 0.59   0.260% *  0.1379% (0.29   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU   80  10.37 +/- 0.23   0.067% *  0.1379% (0.29   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   34  12.97 +/- 0.49   0.016% *  0.1519% (0.32   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   80  13.78 +/- 0.63   0.014% *  0.1114% (0.24   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   80  18.49 +/- 0.66   0.002% *  0.4380% (0.93   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   80  18.86 +/- 0.57   0.002% *  0.4227% (0.89   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   34  15.65 +/- 0.28   0.005% *  0.0921% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   34  20.66 +/- 0.33   0.001% *  0.2958% (0.63   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ALA   34  22.22 +/- 0.47   0.001% *  0.3621% (0.77   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    LEU   80  20.37 +/- 0.54   0.001% *  0.1837% (0.39   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU   80  23.73 +/- 0.48   0.000% *  0.3876% (0.82   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   34  20.46 +/- 3.31   0.002% *  0.0823% (0.17   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   34  21.19 +/- 0.30   0.001% *  0.1140% (0.24   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   34  22.16 +/- 0.43   0.001% *  0.1140% (0.24   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA   34  29.70 +/- 0.37   0.000% *  0.3495% (0.74   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   80  30.11 +/- 4.57   0.000% *  0.0995% (0.21   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   34  26.20 +/- 0.32   0.000% *  0.1027% (0.22   0.02   0.02) =   0.000%
          HA    SER  117 - HN    LEU   80  29.67 +/- 0.65   0.000% *  0.1242% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 0.79, support = 5.43, residual support = 47.7:
          HB3   GLU-  79 - HN    LEU   80   2.14 +/- 0.48  99.226% * 96.6736% (0.79   5.43  47.72) =  99.997%  kept
          QB    GLU-  36 - HN    ALA   34   5.72 +/- 0.30   0.628% *  0.3163% (0.70   0.02   0.02) =   0.002%
          HB3   GLU-  29 - HN    ALA   34   8.31 +/- 0.39   0.066% *  0.3519% (0.78   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   34   9.48 +/- 0.75   0.029% *  0.2695% (0.60   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LEU   80  11.03 +/- 1.51   0.012% *  0.3938% (0.87   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    ALA   34   9.39 +/- 0.31   0.030% *  0.1089% (0.24   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  13.39 +/- 0.91   0.005% *  0.4256% (0.94   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  13.58 +/- 0.32   0.004% *  0.3260% (0.72   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  18.32 +/- 0.52   0.000% *  0.2946% (0.65   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  20.79 +/- 0.58   0.000% *  0.3826% (0.85   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  24.21 +/- 0.50   0.000% *  0.3256% (0.72   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LEU   80  26.23 +/- 0.49   0.000% *  0.1317% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1300 (8.37, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.799, support = 3.94, residual support = 18.4:
        T HN    ASN   35 - HN    ALA   34   2.66 +/- 0.05  99.991% * 97.8664% (0.80   3.94  18.37) = 100.000%  kept
          HN    ALA   12 - HN    ALA   34  18.80 +/- 3.02   0.002% *  0.6147% (0.99   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  13.81 +/- 0.24   0.005% *  0.1381% (0.22   0.02   0.02) =   0.000%
        T HN    ASN   35 - HN    LEU   80  19.35 +/- 0.51   0.001% *  0.4448% (0.72   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  18.32 +/- 0.51   0.001% *  0.1237% (0.20   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  28.47 +/- 3.81   0.000% *  0.5506% (0.89   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  24.33 +/- 0.63   0.000% *  0.1237% (0.20   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  24.87 +/- 0.24   0.000% *  0.1381% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1301 (7.29, 8.08, 121.56 ppm):
    10 chemical-shift based assignments, quality = 0.892, support = 4.93, residual support = 30.7:
          HN    LYS+  81 - HN    LEU   80   3.28 +/- 0.38  99.300% * 98.2789% (0.89   4.93  30.70) =  99.999%  kept
          HE3   TRP   27 - HN    ALA   34   8.77 +/- 0.52   0.367% *  0.0994% (0.22   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    LEU   80   9.62 +/- 0.87   0.296% *  0.0890% (0.20   0.02   6.04) =   0.000%
          QD    PHE   60 - HN    LEU   80  15.10 +/- 0.54   0.015% *  0.3202% (0.72   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    ALA   34  15.45 +/- 0.42   0.012% *  0.3575% (0.80   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  19.96 +/- 0.39   0.002% *  0.4455% (1.00   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  18.21 +/- 0.42   0.004% *  0.1378% (0.31   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    LEU   80  21.85 +/- 0.66   0.002% *  0.0700% (0.16   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  24.15 +/- 0.55   0.001% *  0.1234% (0.28   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   34  26.39 +/- 0.33   0.000% *  0.0782% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1302 (3.85, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.659, support = 0.869, residual support = 2.9:
          HA    GLN   30 - HN    ALA   34   4.25 +/- 0.26  52.631% * 20.3114% (0.80   0.45   0.30) =  44.722%  kept
          HB    THR   39 - HN    ALA   34   5.28 +/- 0.49  16.106% * 51.8554% (0.61   1.50   7.75) =  34.940%  kept
          HB3   SER   37 - HN    ALA   34   4.82 +/- 0.39  25.930% * 18.5581% (0.45   0.73   0.28) =  20.132%  kept
          HB3   SER   82 - HN    LEU   80   6.36 +/- 0.46   5.040% *  0.9425% (0.82   0.02   0.18) =   0.199%
          QB    SER   13 - HN    ALA   34  14.43 +/- 2.37   0.112% *  0.7374% (0.65   0.02   0.02) =   0.003%
          HA    ILE   89 - HN    LEU   80  12.24 +/- 0.53   0.097% *  0.4578% (0.40   0.02   0.02) =   0.002%
          HA    GLN   30 - HN    LEU   80  15.12 +/- 0.41   0.027% *  0.8176% (0.72   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    LEU   80  17.71 +/- 0.59   0.010% *  0.8857% (0.78   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ALA   34  18.49 +/- 0.80   0.008% *  1.0523% (0.92   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   80  16.27 +/- 0.74   0.017% *  0.3832% (0.34   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LEU   80  22.98 +/- 3.07   0.005% *  0.6605% (0.58   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LEU   80  21.39 +/- 0.62   0.003% *  0.6193% (0.54   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    ALA   34  20.69 +/- 0.25   0.004% *  0.5111% (0.45   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LEU   80  22.44 +/- 0.57   0.002% *  0.4578% (0.40   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    ALA   34  24.13 +/- 0.45   0.002% *  0.4278% (0.37   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ALA   34  28.30 +/- 0.32   0.001% *  0.9888% (0.87   0.02   0.02) =   0.000%
          HB    THR  118 - HN    ALA   34  21.26 +/- 0.28   0.003% *  0.1759% (0.15   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   80  24.09 +/- 0.65   0.002% *  0.1575% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1303 (3.60, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.762, support = 1.72, residual support = 4.96:
          HA    LEU   31 - HN    ALA   34   3.24 +/- 0.09  97.967% * 97.9253% (0.76   1.72   4.96) =  99.989%  kept
          HA    THR   77 - HN    LEU   80   6.53 +/- 0.67   2.023% *  0.4996% (0.34   0.02   0.02) =   0.011%
          HA    LEU   31 - HN    LEU   80  15.63 +/- 0.56   0.008% *  1.0173% (0.68   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  19.88 +/- 0.37   0.002% *  0.5578% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1304 (4.85, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.23, support = 1.62, residual support = 8.13:
          HA    THR   23 - HN    LEU   80   4.30 +/- 0.15  87.445% * 15.8454% (0.18   1.25  10.39) =  75.820%  kept
          HA    ASP-  78 - HN    LEU   80   6.89 +/- 0.23   5.435% * 80.8895% (0.40   2.81   1.04) =  24.055%  kept
          HA    VAL   41 - HN    ALA   34   6.72 +/- 0.22   6.295% *  0.2508% (0.17   0.02   9.31) =   0.086%
          HA    PHE   45 - HN    LEU   80   9.75 +/- 0.64   0.735% *  0.8809% (0.61   0.02   0.02) =   0.035%
          HA    PHE   45 - HN    ALA   34  16.67 +/- 0.30   0.026% *  0.9835% (0.69   0.02   0.02) =   0.001%
          HA    THR   23 - HN    ALA   34  15.49 +/- 0.18   0.040% *  0.2834% (0.20   0.02   0.02) =   0.001%
          HA    VAL   41 - HN    LEU   80  17.50 +/- 0.51   0.020% *  0.2246% (0.16   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  23.40 +/- 0.32   0.003% *  0.6419% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 6 structures by 0.06 A, kept.
 
    Peak 1305 (2.91, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.592, support = 4.35, residual support = 36.2:
          QE    LYS+  33 - HN    ALA   34   4.63 +/- 0.67  60.985% * 41.8048% (0.52   5.14  48.18) =  74.751%  kept
          HB2   ASP-  76 - HN    LEU   80   5.35 +/- 0.47  29.627% * 19.0934% (0.75   1.65   0.48) =  16.586%  kept
          HB2   ASP-  78 - HN    LEU   80   6.53 +/- 0.40   7.878% * 37.4847% (0.88   2.76   1.04) =   8.658%  kept
          HB2   ASN   28 - HN    ALA   34   9.82 +/- 0.24   0.634% *  0.1272% (0.41   0.02   0.02) =   0.002%
          HB2   ASN   69 - HN    ALA   34  13.00 +/- 0.74   0.129% *  0.2247% (0.72   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    LEU   80  11.67 +/- 0.53   0.235% *  0.1139% (0.37   0.02   0.95) =   0.001%
          HB2   ASP-  86 - HN    LEU   80  10.52 +/- 0.43   0.421% *  0.0375% (0.12   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    LEU   80  16.85 +/- 1.35   0.026% *  0.1458% (0.47   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  18.93 +/- 0.54   0.012% *  0.2585% (0.83   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  22.75 +/- 0.48   0.004% *  0.3033% (0.98   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  16.44 +/- 0.46   0.029% *  0.0419% (0.14   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  18.89 +/- 1.07   0.013% *  0.0860% (0.28   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  22.32 +/- 1.38   0.005% *  0.0771% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  26.50 +/- 0.67   0.002% *  0.2013% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1306 (2.33, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.435, support = 5.25, residual support = 47.7:
          HB2   GLU-  79 - HN    LEU   80   3.12 +/- 0.67  98.746% * 94.4089% (0.44   5.25  47.72) =  99.996%  kept
          HG3   GLU-  36 - HN    ALA   34   7.18 +/- 0.65   1.169% *  0.2816% (0.34   0.02   0.02) =   0.004%
          HG3   GLU-  25 - HN    LEU   80  11.67 +/- 0.35   0.057% *  0.7247% (0.88   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  14.81 +/- 0.40   0.013% *  0.8091% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  17.80 +/- 0.63   0.004% *  0.6413% (0.78   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  18.85 +/- 0.71   0.003% *  0.4018% (0.49   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   80  17.59 +/- 1.65   0.004% *  0.2522% (0.30   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  22.26 +/- 0.46   0.001% *  0.3040% (0.37   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  23.57 +/- 0.35   0.001% *  0.3394% (0.41   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  27.66 +/- 0.28   0.000% *  0.7160% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  24.05 +/- 0.66   0.001% *  0.2522% (0.30   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  24.56 +/- 0.67   0.001% *  0.2775% (0.34   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  26.14 +/- 0.43   0.000% *  0.3098% (0.37   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  26.39 +/- 0.82   0.000% *  0.2816% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1307 (2.14, 8.08, 121.56 ppm):
    16 chemical-shift based assignments, quality = 0.775, support = 5.43, residual support = 47.7:
          HB3   GLU-  79 - HN    LEU   80   2.14 +/- 0.48  97.735% * 97.2765% (0.78   5.43  47.72) =  99.996%  kept
          QB    GLU-  36 - HN    ALA   34   5.72 +/- 0.30   0.589% *  0.3695% (0.80   0.02   0.02) =   0.002%
          QB    GLN   32 - HN    ALA   34   5.10 +/- 0.15   1.263% *  0.0808% (0.17   0.02   0.02) =   0.001%
          HB    VAL   24 - HN    LEU   80   6.51 +/- 0.77   0.282% *  0.0920% (0.20   0.02  10.63) =   0.000%
          HB3   GLU-  29 - HN    ALA   34   8.31 +/- 0.39   0.061% *  0.2246% (0.49   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    ALA   34  10.32 +/- 0.71   0.018% *  0.2246% (0.49   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   34   9.48 +/- 0.75   0.028% *  0.0808% (0.17   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LEU   80  11.03 +/- 1.51   0.011% *  0.1276% (0.28   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  13.39 +/- 0.91   0.005% *  0.2012% (0.44   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  13.58 +/- 0.32   0.004% *  0.0724% (0.16   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    ALA   34  14.41 +/- 0.16   0.002% *  0.1027% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  18.32 +/- 0.52   0.000% *  0.4003% (0.87   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    LEU   80  15.62 +/- 0.50   0.001% *  0.0724% (0.16   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  20.79 +/- 0.58   0.000% *  0.3310% (0.72   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    LEU   80  24.92 +/- 0.61   0.000% *  0.2012% (0.44   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  24.21 +/- 0.50   0.000% *  0.1424% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 0.677, support = 0.0198, residual support = 0.0198:
          QG1   VAL   75 - HN    LEU   80   4.98 +/- 0.77  99.279% * 21.3996% (0.68   0.02   0.02) =  99.182%  kept
          QG1   VAL   75 - HN    ALA   34  12.61 +/- 0.32   0.630% * 23.8922% (0.76   0.02   0.02) =   0.702%
          QD1   LEU  115 - HN    LEU   80  18.74 +/- 0.56   0.053% * 25.8487% (0.82   0.02   0.02) =   0.064%
          QD1   LEU  115 - HN    ALA   34  19.87 +/- 0.40   0.038% * 28.8595% (0.92   0.02   0.02) =   0.052%
    Distance limit 4.85 A violated in 8 structures by 0.31 A, eliminated.
    Peak unassigned.
 
    Peak 1309 (0.57, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.317, support = 6.76, residual support = 79.8:
          QD2   LEU   80 - HN    LEU   80   3.26 +/- 0.82  44.626% * 62.5857% (0.40   6.27  79.86) =  62.453%  kept
          QD1   LEU   80 - HN    LEU   80   3.00 +/- 1.03  50.131% * 33.4690% (0.18   7.59  79.86) =  37.518%  kept
          QD1   LEU   73 - HN    ALA   34   5.57 +/- 0.34   1.680% *  0.4155% (0.83   0.02   0.02) =   0.016%
          QG2   VAL   41 - HN    ALA   34   5.05 +/- 0.25   3.000% *  0.1697% (0.34   0.02   9.31) =   0.011%
          QD2   LEU   98 - HN    ALA   34   7.87 +/- 1.12   0.411% *  0.0985% (0.20   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    LEU   80   9.90 +/- 0.40   0.054% *  0.3722% (0.75   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   34  11.12 +/- 0.53   0.028% *  0.1241% (0.25   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   34  12.13 +/- 0.63   0.014% *  0.2230% (0.45   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  14.69 +/- 1.05   0.006% *  0.4462% (0.89   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  14.45 +/- 0.61   0.006% *  0.4155% (0.83   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   34  12.70 +/- 1.19   0.020% *  0.0985% (0.20   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   80  12.77 +/- 0.40   0.010% *  0.1520% (0.30   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  16.94 +/- 0.65   0.002% *  0.3722% (0.75   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   80  13.51 +/- 0.62   0.007% *  0.0882% (0.18   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  18.85 +/- 0.77   0.001% *  0.3996% (0.80   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  20.09 +/- 0.61   0.001% *  0.2422% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  20.59 +/- 0.60   0.001% *  0.2169% (0.44   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  20.68 +/- 0.69   0.001% *  0.1111% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 0.455, support = 0.0191, residual support = 0.0191:
          HB3   LEU  104 - HN    ALA   34  14.87 +/- 0.35  73.018% *  7.0378% (0.22   0.02   0.02) =  50.775%  kept
          QD2   LEU  123 - HN    ALA   34  22.05 +/- 0.54   6.967% * 31.5414% (1.00   0.02   0.02) =  21.711%  kept
          HG3   LYS+ 121 - HN    ALA   34  20.01 +/- 0.59  12.553% * 14.1725% (0.45   0.02   0.02) =  17.579%  kept
          QD2   LEU  123 - HN    LEU   80  27.33 +/- 0.70   1.924% * 28.2508% (0.89   0.02   0.02) =   5.370%  kept
          HB3   LEU  104 - HN    LEU   80  24.42 +/- 0.61   3.772% *  6.3036% (0.20   0.02   0.02) =   2.349%
          HG3   LYS+ 121 - HN    LEU   80  27.77 +/- 0.94   1.767% * 12.6939% (0.40   0.02   0.02) =   2.217%
    Distance limit 4.69 A violated in 20 structures by 9.56 A, eliminated.
    Peak unassigned.
 
    Peak 1311 (1.87, 8.09, 121.65 ppm):
    26 chemical-shift based assignments, quality = 0.74, support = 5.94, residual support = 48.2:
          QB    LYS+  33 - HN    ALA   34   2.73 +/- 0.21  95.435% * 93.4017% (0.74   5.94  48.18) =  99.987%  kept
          QB    LYS+  81 - HN    LEU   80   5.40 +/- 0.31   1.915% *  0.4014% (0.94   0.02  30.70) =   0.009%
          HB3   GLN   30 - HN    ALA   34   5.30 +/- 0.63   2.520% *  0.1368% (0.32   0.02   0.30) =   0.004%
          HB3   LYS+  38 - HN    ALA   34   9.15 +/- 0.26   0.073% *  0.2018% (0.47   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   80  11.36 +/- 1.51   0.025% *  0.3944% (0.93   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  12.99 +/- 0.90   0.010% *  0.1654% (0.39   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  15.35 +/- 0.64   0.003% *  0.3326% (0.78   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  15.32 +/- 0.53   0.003% *  0.2664% (0.63   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  16.46 +/- 0.49   0.002% *  0.3806% (0.89   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  16.91 +/- 0.73   0.002% *  0.4023% (0.95   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  16.30 +/- 0.30   0.002% *  0.2885% (0.68   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  16.81 +/- 0.41   0.002% *  0.2542% (0.60   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  16.54 +/- 0.86   0.002% *  0.1119% (0.26   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  19.75 +/- 0.32   0.001% *  0.3319% (0.78   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  19.56 +/- 0.62   0.001% *  0.3075% (0.72   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  20.12 +/- 1.22   0.001% *  0.3360% (0.79   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  21.06 +/- 0.69   0.001% *  0.3222% (0.76   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  22.13 +/- 0.92   0.000% *  0.3490% (0.82   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  23.70 +/- 0.88   0.000% *  0.3261% (0.77   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  24.37 +/- 0.32   0.000% *  0.2542% (0.60   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  26.47 +/- 0.42   0.000% *  0.2440% (0.57   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  27.58 +/- 0.47   0.000% *  0.3075% (0.72   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  28.18 +/- 0.72   0.000% *  0.2778% (0.65   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  25.47 +/- 0.42   0.000% *  0.0925% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  24.81 +/- 0.63   0.000% *  0.0621% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  25.64 +/- 0.39   0.000% *  0.0513% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1312 (1.29, 8.09, 121.65 ppm):
    12 chemical-shift based assignments, quality = 0.241, support = 3.85, residual support = 26.2:
      O   QB    ALA   34 - HN    ALA   34   2.07 +/- 0.08  99.292% * 91.9350% (0.24   3.85  26.17) =  99.991%  kept
          QG2   THR   23 - HN    LEU   80   4.92 +/- 0.36   0.634% *  1.2116% (0.61   0.02  10.39) =   0.008%
          QG2   THR   77 - HN    LEU   80   7.71 +/- 0.59   0.045% *  1.4997% (0.76   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    ALA   34   8.26 +/- 0.27   0.025% *  0.2389% (0.12   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LEU   80  12.53 +/- 0.30   0.002% *  0.7700% (0.39   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  14.03 +/- 0.40   0.001% *  1.0018% (0.51   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  15.12 +/- 0.45   0.001% *  0.5781% (0.29   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  17.16 +/- 0.38   0.000% *  1.2400% (0.63   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  14.72 +/- 0.50   0.001% *  0.3280% (0.17   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    ALA   34  17.82 +/- 0.23   0.000% *  0.6366% (0.32   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  18.37 +/- 0.28   0.000% *  0.2712% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   80  25.51 +/- 0.53   0.000% *  0.2890% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 0.637, support = 6.61, residual support = 79.9:
          HG    LEU   80 - HN    LEU   80   3.64 +/- 0.94  51.095% * 71.6208% (0.76   6.63  79.86) =  75.610%  kept
      O   HB2   LEU   80 - HN    LEU   80   3.55 +/- 0.42  47.988% * 24.5964% (0.26   6.55  79.86) =  24.387%  kept
          HG    LEU   73 - HN    ALA   34   7.65 +/- 0.33   0.491% *  0.1864% (0.65   0.02   0.02) =   0.002%
          HG12  ILE   19 - HN    ALA   34   9.62 +/- 1.02   0.133% *  0.1533% (0.54   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   34  10.31 +/- 0.54   0.082% *  0.0761% (0.27   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   80  12.78 +/- 0.64   0.022% *  0.2255% (0.79   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   80   9.98 +/- 0.50   0.097% *  0.0417% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   34  13.59 +/- 0.74   0.014% *  0.2227% (0.78   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   34  14.26 +/- 0.92   0.013% *  0.1621% (0.57   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   34  15.11 +/- 0.79   0.010% *  0.1787% (0.63   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   80  15.76 +/- 0.49   0.006% *  0.1854% (0.65   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   80  16.41 +/- 0.51   0.005% *  0.2063% (0.72   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   80  17.47 +/- 0.50   0.003% *  0.2554% (0.89   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ALA   34  17.64 +/- 0.43   0.003% *  0.2111% (0.74   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   34  14.99 +/- 1.04   0.010% *  0.0557% (0.20   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA   34  18.53 +/- 0.57   0.002% *  0.2154% (0.75   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   34  15.72 +/- 0.56   0.006% *  0.0621% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   34  14.73 +/- 0.43   0.009% *  0.0344% (0.12   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   80  22.82 +/- 0.66   0.001% *  0.2693% (0.94   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   34  21.47 +/- 0.31   0.001% *  0.1706% (0.60   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   80  23.93 +/- 0.67   0.001% *  0.2605% (0.91   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU   80  21.31 +/- 1.33   0.001% *  0.0921% (0.32   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   80  24.70 +/- 0.88   0.000% *  0.1960% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   34  19.08 +/- 0.81   0.002% *  0.0391% (0.14   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   80  22.28 +/- 0.90   0.001% *  0.0921% (0.32   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   34  22.48 +/- 0.67   0.001% *  0.0761% (0.27   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU   80  23.95 +/- 0.70   0.001% *  0.0673% (0.24   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   80  26.64 +/- 0.90   0.000% *  0.0473% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1314 (0.76, 8.09, 121.65 ppm):
    18 chemical-shift based assignments, quality = 0.754, support = 0.764, residual support = 8.91:
          QG1   VAL   41 - HN    ALA   34   4.43 +/- 0.12  71.965% * 48.2605% (0.78   0.75   9.31) =  91.118%  kept
          HG    LEU   31 - HN    ALA   34   6.42 +/- 0.30   8.250% * 39.3561% (0.51   0.94   4.96) =   8.518%  kept
          QD2   LEU   73 - HN    ALA   34   6.13 +/- 0.49  11.470% *  0.6278% (0.38   0.02   0.02) =   0.189%
          QG1   VAL   43 - HN    ALA   34   8.30 +/- 1.09   2.078% *  1.1906% (0.72   0.02   0.02) =   0.065%
          QG2   THR   46 - HN    LEU   80   8.34 +/- 0.68   1.834% *  0.9462% (0.57   0.02   0.02) =   0.046%
          QD1   ILE   19 - HN    ALA   34   7.61 +/- 0.26   2.867% *  0.3586% (0.22   0.02   0.02) =   0.027%
          QG1   VAL   43 - HN    LEU   80  10.41 +/- 0.50   0.449% *  1.4400% (0.87   0.02   0.02) =   0.017%
          QD2   LEU   73 - HN    LEU   80  11.63 +/- 0.54   0.239% *  0.7593% (0.46   0.02   0.02) =   0.005%
          QG2   VAL   18 - HN    ALA   34  12.39 +/- 0.54   0.158% *  0.9366% (0.57   0.02   0.02) =   0.004%
          HG    LEU   31 - HN    LEU   80  12.64 +/- 0.61   0.143% *  1.0092% (0.61   0.02   0.02) =   0.004%
          QG2   VAL   18 - HN    LEU   80  13.77 +/- 0.49   0.082% *  1.1328% (0.69   0.02   0.02) =   0.002%
          QG1   VAL   41 - HN    LEU   80  15.12 +/- 0.41   0.047% *  1.5565% (0.94   0.02   0.02) =   0.002%
          QD1   ILE   19 - HN    LEU   80  12.59 +/- 0.35   0.139% *  0.4337% (0.26   0.02   0.02) =   0.002%
          QD2   LEU  104 - HN    ALA   34  11.76 +/- 0.63   0.221% *  0.2259% (0.14   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    ALA   34  16.34 +/- 0.49   0.029% *  0.7823% (0.47   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LEU   80  17.96 +/- 0.47   0.016% *  0.3890% (0.24   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    ALA   34  20.84 +/- 0.25   0.007% *  0.3216% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   80  20.81 +/- 0.65   0.007% *  0.2732% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1315 (0.59, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.848, support = 6.26, residual support = 79.8:
          QD2   LEU   80 - HN    LEU   80   3.26 +/- 0.82  87.273% * 97.0506% (0.85   6.27  79.86) =  99.972%  kept
          QD1   LEU   73 - HN    ALA   34   5.57 +/- 0.34   6.308% *  0.2799% (0.77   0.02   0.02) =   0.021%
          QG1   VAL   83 - HN    LEU   80   5.59 +/- 0.36   5.964% *  0.0861% (0.24   0.02   0.02) =   0.006%
          QD1   LEU   73 - HN    LEU   80   9.90 +/- 0.40   0.179% *  0.3386% (0.93   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    ALA   34  11.12 +/- 0.53   0.088% *  0.1962% (0.54   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   34  12.13 +/- 0.63   0.066% *  0.2561% (0.70   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  14.45 +/- 0.61   0.021% *  0.2799% (0.77   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   34  11.86 +/- 0.51   0.061% *  0.0712% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  14.69 +/- 1.05   0.021% *  0.1280% (0.35   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  16.94 +/- 0.65   0.008% *  0.3386% (0.93   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  20.59 +/- 0.60   0.002% *  0.3189% (0.87   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  20.09 +/- 0.61   0.003% *  0.2636% (0.72   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  18.85 +/- 0.77   0.004% *  0.1549% (0.42   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  20.68 +/- 0.69   0.002% *  0.2373% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1316 (0.46, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.458, support = 0.0199, residual support = 0.0199:
          QG1   VAL   75 - HN    LEU   80   4.98 +/- 0.77  99.279% * 33.4988% (0.46   0.02   0.02) =  99.425%  kept
          QG1   VAL   75 - HN    ALA   34  12.61 +/- 0.32   0.630% * 27.6972% (0.38   0.02   0.02) =   0.521%
          QD1   LEU  115 - HN    LEU   80  18.74 +/- 0.56   0.053% * 21.2414% (0.29   0.02   0.02) =   0.034%
          QD1   LEU  115 - HN    ALA   34  19.87 +/- 0.40   0.038% * 17.5626% (0.24   0.02   0.02) =   0.020%
    Distance limit 4.65 A violated in 12 structures by 0.42 A, eliminated.
    Peak unassigned.
 
    Peak 1317 (4.12, 8.09, 121.65 ppm):
    20 chemical-shift based assignments, quality = 0.626, support = 3.64, residual support = 26.2:
      O   HA    ALA   34 - HN    ALA   34   2.78 +/- 0.02  97.162% * 92.1423% (0.63   3.64  26.17) =  99.992%  kept
          HA    LYS+  81 - HN    LEU   80   5.27 +/- 0.09   2.098% *  0.2358% (0.29   0.02  30.70) =   0.006%
          HA    ASN   28 - HN    ALA   34   7.65 +/- 0.17   0.226% *  0.5975% (0.74   0.02   0.02) =   0.002%
          HA    GLU-  36 - HN    ALA   34   7.11 +/- 0.07   0.348% *  0.1406% (0.17   0.02   0.02) =   0.001%
          HA1   GLY  101 - HN    ALA   34   9.60 +/- 1.36   0.074% *  0.3831% (0.47   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU   80  12.36 +/- 0.60   0.013% *  0.7227% (0.89   0.02   0.95) =   0.000%
          HA    THR   26 - HN    ALA   34   9.74 +/- 0.30   0.053% *  0.1106% (0.14   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU   80  11.37 +/- 0.19   0.021% *  0.1338% (0.17   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   80  20.15 +/- 0.77   0.001% *  0.6381% (0.79   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  20.17 +/- 0.52   0.001% *  0.6118% (0.76   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  20.60 +/- 1.58   0.001% *  0.4634% (0.57   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  22.35 +/- 0.23   0.000% *  0.5831% (0.72   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  23.36 +/- 0.63   0.000% *  0.7052% (0.87   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  20.19 +/- 0.32   0.001% *  0.1950% (0.24   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  24.23 +/- 0.98   0.000% *  0.4587% (0.57   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  26.83 +/- 0.53   0.000% *  0.5276% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  26.24 +/- 0.60   0.000% *  0.3425% (0.42   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  25.66 +/- 0.27   0.000% *  0.2832% (0.35   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  24.24 +/- 0.54   0.000% *  0.1701% (0.21   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  34.13 +/- 0.86   0.000% *  0.5548% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 0.598, support = 1.72, residual support = 4.96:
          HA    LEU   31 - HN    ALA   34   3.24 +/- 0.09  97.967% * 97.4077% (0.60   1.72   4.96) =  99.986%  kept
          HA    THR   77 - HN    LEU   80   6.53 +/- 0.67   2.023% *  0.6711% (0.36   0.02   0.02) =   0.014%
          HA    LEU   31 - HN    LEU   80  15.63 +/- 0.56   0.008% *  1.3664% (0.72   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  19.88 +/- 0.37   0.002% *  0.5548% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 0.623, support = 4.52, residual support = 38.5:
          QE    LYS+  33 - HN    ALA   34   4.63 +/- 0.67  60.985% * 45.9551% (0.60   5.14  48.18) =  79.521%  kept
          HB2   ASP-  76 - HN    LEU   80   5.35 +/- 0.47  29.627% * 14.1685% (0.57   1.65   0.48) =  11.911%  kept
          HB2   ASP-  78 - HN    LEU   80   6.53 +/- 0.40   7.878% * 38.3061% (0.93   2.76   1.04) =   8.562%  kept
          HB2   ASN   28 - HN    ALA   34   9.82 +/- 0.24   0.634% *  0.1515% (0.51   0.02   0.02) =   0.003%
          HB2   ASN   28 - HN    LEU   80  11.67 +/- 0.53   0.235% *  0.1832% (0.61   0.02   0.95) =   0.001%
          HB2   ASP-  86 - HN    LEU   80  10.52 +/- 0.43   0.421% *  0.0787% (0.26   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    ALA   34  13.00 +/- 0.74   0.129% *  0.1140% (0.38   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    LEU   80  16.85 +/- 1.35   0.026% *  0.2164% (0.72   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  16.44 +/- 0.46   0.029% *  0.0651% (0.22   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  18.93 +/- 0.54   0.012% *  0.1420% (0.47   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  18.89 +/- 1.07   0.013% *  0.1140% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  22.75 +/- 0.48   0.004% *  0.2295% (0.77   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  22.32 +/- 1.38   0.005% *  0.1379% (0.46   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  26.50 +/- 0.67   0.002% *  0.1379% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1320 (2.33, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.46, support = 5.25, residual support = 47.7:
          HB2   GLU-  79 - HN    LEU   80   3.12 +/- 0.67  98.746% * 95.1841% (0.46   5.25  47.72) =  99.997%  kept
          HG3   GLU-  36 - HN    ALA   34   7.18 +/- 0.65   1.169% *  0.2102% (0.27   0.02   0.02) =   0.003%
          HG3   GLU-  25 - HN    LEU   80  11.67 +/- 0.35   0.057% *  0.7307% (0.93   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  14.81 +/- 0.40   0.013% *  0.6041% (0.77   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  17.80 +/- 0.63   0.004% *  0.6466% (0.82   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   80  17.59 +/- 1.65   0.004% *  0.2543% (0.32   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  18.85 +/- 0.71   0.003% *  0.3000% (0.38   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  22.26 +/- 0.46   0.001% *  0.3065% (0.39   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  23.57 +/- 0.35   0.001% *  0.2534% (0.32   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  24.05 +/- 0.66   0.001% *  0.2543% (0.32   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  24.56 +/- 0.67   0.001% *  0.2798% (0.36   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  27.66 +/- 0.28   0.000% *  0.5346% (0.68   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  26.14 +/- 0.43   0.000% *  0.2313% (0.29   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  26.39 +/- 0.82   0.000% *  0.2102% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1321 (4.01, 8.09, 121.65 ppm):
    22 chemical-shift based assignments, quality = 0.782, support = 6.84, residual support = 48.2:
      O   HA    LYS+  33 - HN    ALA   34   3.63 +/- 0.02  73.151% * 95.9254% (0.78   6.85  48.18) =  99.963%  kept
          HA    GLN   32 - HN    ALA   34   4.84 +/- 0.14  13.157% *  0.0779% (0.22   0.02   0.02) =   0.015%
          HB2   SER   37 - HN    ALA   34   5.46 +/- 0.90  10.415% *  0.0624% (0.17   0.02   0.28) =   0.009%
          HB2   SER   82 - HN    LEU   80   7.17 +/- 0.58   1.417% *  0.3040% (0.85   0.02   0.18) =   0.006%
          HA    GLU-  29 - HN    ALA   34   7.11 +/- 0.24   1.311% *  0.2705% (0.75   0.02   0.02) =   0.005%
          HA    VAL   70 - HN    ALA   34   9.17 +/- 0.35   0.288% *  0.2431% (0.68   0.02   0.02) =   0.001%
          HA    SER   48 - HN    LEU   80  10.59 +/- 0.49   0.125% *  0.1783% (0.50   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   34  12.15 +/- 0.51   0.053% *  0.2651% (0.74   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  14.96 +/- 0.39   0.015% *  0.3271% (0.91   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  13.16 +/- 0.32   0.033% *  0.1046% (0.29   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  16.37 +/- 0.42   0.009% *  0.3207% (0.89   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  18.93 +/- 0.98   0.004% *  0.2514% (0.70   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  20.16 +/- 0.47   0.003% *  0.3390% (0.95   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  21.76 +/- 0.43   0.002% *  0.2940% (0.82   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  16.53 +/- 0.61   0.008% *  0.0523% (0.15   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  18.38 +/- 0.58   0.004% *  0.0942% (0.26   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  25.62 +/- 0.32   0.001% *  0.2431% (0.68   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  21.60 +/- 0.23   0.002% *  0.0865% (0.24   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  27.27 +/- 0.67   0.000% *  0.2940% (0.82   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  24.76 +/- 0.41   0.001% *  0.1475% (0.41   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  23.08 +/- 0.96   0.001% *  0.0755% (0.21   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  26.67 +/- 0.34   0.000% *  0.0432% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.57 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 = 0.297, support = 0.0181, residual support = 0.179:
          HN    GLN   30 - HN    ALA   34   6.07 +/- 0.20  79.403% *  5.3388% (0.17   0.02   0.30) =  58.365%  kept
          HN    GLU-  29 - HN    ALA   34   8.24 +/- 0.19  12.663% * 18.4898% (0.61   0.02   0.02) =  32.235%  kept
          HN    ASP-  86 - HN    LEU   80   9.61 +/- 0.30   5.132% *  6.0789% (0.20   0.02   0.02) =   4.296%
          HN    GLU-  29 - HN    LEU   80  12.23 +/- 0.40   1.238% * 16.5608% (0.54   0.02   0.02) =   2.822%
          HN    VAL   18 - HN    ALA   34  14.76 +/- 0.47   0.402% * 22.1363% (0.72   0.02   0.02) =   1.224%
          HN    GLN   30 - HN    LEU   80  12.82 +/- 0.40   0.928% *  4.7818% (0.16   0.02   0.02) =   0.611%
          HN    VAL   18 - HN    LEU   80  17.83 +/- 0.47   0.126% * 19.8269% (0.65   0.02   0.02) =   0.345%
        T HN    ASP-  86 - HN    ALA   34  18.29 +/- 0.42   0.108% *  6.7869% (0.22   0.02   0.02) =   0.101%
    Distance limit 4.03 A violated in 20 structures by 1.89 A, eliminated.
    Peak unassigned.
 
    Peak 1323 (8.28, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.204, support = 0.0186, residual support = 0.168:
          HN    GLN   30 - HN    ALA   34   6.07 +/- 0.20  79.403% *  3.7410% (0.11   0.02   0.30) =  54.006%  kept
          HN    GLU-  29 - HN    ALA   34   8.24 +/- 0.19  12.663% * 14.5433% (0.41   0.02   0.02) =  33.481%  kept
          HN    ASP-  86 - HN    LEU   80   9.61 +/- 0.30   5.132% *  5.8551% (0.17   0.02   0.02) =   5.464%  kept
          HN    GLU-  29 - HN    LEU   80  12.23 +/- 0.40   1.238% * 17.5897% (0.50   0.02   0.02) =   3.958%
          HN    VAL   18 - HN    ALA   34  14.76 +/- 0.47   0.402% * 22.1344% (0.63   0.02   0.02) =   1.617%
          HN    GLN   30 - HN    LEU   80  12.82 +/- 0.40   0.928% *  4.5246% (0.13   0.02   0.02) =   0.764%
          HN    VAL   18 - HN    LEU   80  17.83 +/- 0.47   0.126% * 26.7708% (0.76   0.02   0.02) =   0.615%
        T HN    ASP-  86 - HN    ALA   34  18.29 +/- 0.42   0.108% *  4.8411% (0.14   0.02   0.02) =   0.095%
    Distance limit 3.99 A violated in 20 structures by 1.88 A, eliminated.
    Peak unassigned.
 
    Peak 1325 (8.38, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.537, support = 3.94, residual support = 18.4:
        T HN    ASN   35 - HN    ALA   34   2.66 +/- 0.05  99.991% * 96.8524% (0.54   3.94  18.37) = 100.000%  kept
          HN    PHE   97 - HN    ALA   34  13.81 +/- 0.24   0.005% *  0.2208% (0.24   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ALA   34  18.80 +/- 3.02   0.002% *  0.7139% (0.78   0.02   0.02) =   0.000%
        T HN    ASN   35 - HN    LEU   80  19.35 +/- 0.51   0.001% *  0.5944% (0.65   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  18.32 +/- 0.51   0.001% *  0.2671% (0.29   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  28.47 +/- 3.81   0.000% *  0.8634% (0.94   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  24.33 +/- 0.63   0.000% *  0.2671% (0.29   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  24.87 +/- 0.24   0.000% *  0.2208% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1326 (7.29, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.938, support = 4.93, residual support = 30.7:
          HN    LYS+  81 - HN    LEU   80   3.28 +/- 0.38  99.302% * 98.5903% (0.94   4.93  30.70) = 100.000%  kept
          HE3   TRP   27 - HN    ALA   34   8.77 +/- 0.52   0.367% *  0.0515% (0.12   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    LEU   80   9.62 +/- 0.87   0.296% *  0.0623% (0.15   0.02   6.04) =   0.000%
          QD    PHE   60 - HN    LEU   80  15.10 +/- 0.54   0.015% *  0.3622% (0.85   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    ALA   34  15.45 +/- 0.42   0.012% *  0.2995% (0.70   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  19.96 +/- 0.39   0.002% *  0.3309% (0.78   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  18.21 +/- 0.42   0.004% *  0.1373% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  24.15 +/- 0.55   0.001% *  0.1660% (0.39   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1327 (1.34, 8.16, 121.97 ppm):
    13 chemical-shift based assignments, quality = 0.649, support = 1.78, residual support = 5.46:
          HG2   LYS+ 111 - HN    GLU- 114   4.62 +/- 0.57  70.416% * 65.6930% (0.73   1.61   6.19) =  86.601%  kept
          HB2   LYS+ 112 - HN    GLU- 114   5.47 +/- 0.15  28.423% * 25.1486% (0.15   2.90   0.75) =  13.382%  kept
          HB3   PRO   93 - HN    GLU- 114  10.52 +/- 0.27   0.565% *  0.8595% (0.76   0.02   0.02) =   0.009%
          HB2   LEU   63 - HN    GLU- 114  13.47 +/- 0.41   0.129% *  1.1024% (0.98   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HN    GLU- 114  13.49 +/- 0.37   0.124% *  1.1247% (1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    GLU- 114  12.12 +/- 0.41   0.242% *  0.2504% (0.22   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    GLU- 114  17.07 +/- 0.63   0.031% *  1.0854% (0.97   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    GLU- 114  16.80 +/- 0.32   0.034% *  0.9006% (0.80   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    GLU- 114  18.18 +/- 1.30   0.023% *  1.0087% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLU- 114  23.83 +/- 1.30   0.004% *  1.0382% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    GLU- 114  22.53 +/- 0.32   0.006% *  0.5042% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    GLU- 114  26.21 +/- 0.51   0.002% *  0.9006% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    GLU- 114  28.82 +/- 0.59   0.001% *  0.3836% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   1094
      with diagonal assignment               :    129
      without assignment possibility         :      2
      with one assignment possibility        :     46
      with multiple assignment possibilities :    917
      with given assignment possibilities    :      0
      with unique volume contribution        :    771
      with multiple volume contributions     :    192
      eliminated by violation filter         :     57
 
    Peaks:
      selected                               :   1094
      without assignment                     :     71
      with assignment                        :   1023
      with unique assignment                 :    847
      with multiple assignment               :    176
      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             :    894
 
    Atoms with eliminated volume contribution > 2.5:
    HN    ALA   34       2.7
    HN    ASP-  44       3.9
    HN    ASP-  62       2.6
    HN    THR   77       3.0
 
    Peak 1 (4.29, 4.29, 56.56 ppm):
    2 diagonal assignments:
    *     HA    MET   11 - HA    MET   11  (1.00)  kept
          HA    GLU-  14 - HA    GLU-  14  (0.16)  kept
 
    Peak 4 (2.08, 4.29, 56.56 ppm):
    16 chemical-shift based assignments, quality = 0.666, support = 3.43, residual support = 46.4:
      O T HB2   GLU-  14 - HA    GLU-  14   2.77 +/- 0.18  80.601% * 21.9790% (0.39   2.96  46.67) =  54.818%  kept
    * O T HG2   MET   11 - HA    MET   11   3.73 +/- 0.52  19.230% * 75.9285% (1.00   4.00  46.09) =  45.181%  kept
        T HB2   GLU-  14 - HA    MET   11  10.18 +/- 1.45   0.056% *  0.3788% (1.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HA    GLU-  14  10.20 +/- 1.73   0.078% *  0.1490% (0.39   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  10.44 +/- 0.79   0.031% *  0.0414% (0.11   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  16.41 +/- 1.91   0.003% *  0.1056% (0.28   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  24.58 +/- 0.68   0.000% *  0.1460% (0.38   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  31.87 +/- 3.58   0.000% *  0.3721% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  24.22 +/- 0.92   0.000% *  0.0612% (0.16   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  36.01 +/- 4.19   0.000% *  0.3721% (0.98   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  28.14 +/- 0.95   0.000% *  0.1460% (0.38   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  32.24 +/- 3.80   0.000% *  0.1561% (0.41   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  34.80 +/- 4.45   0.000% *  0.0665% (0.18   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  27.46 +/- 0.89   0.000% *  0.0261% (0.07   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU-  14  31.10 +/- 1.05   0.000% *  0.0202% (0.05   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    MET   11  38.84 +/- 3.27   0.000% *  0.0514% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 0.793, support = 3.66, residual support = 46.3:
    * O T HG3   MET   11 - HA    MET   11   3.30 +/- 0.67  35.768% * 77.2598% (1.00   4.00  46.09) =  67.051%  kept
      O T HB3   GLU-  14 - HA    GLU-  14   2.89 +/- 0.14  64.043% * 21.2028% (0.37   2.96  46.67) =  32.948%  kept
        T HB3   GLU-  14 - HA    MET   11  10.32 +/- 2.02   0.115% *  0.3654% (0.95   0.02   0.02) =   0.001%
        T HG3   MET   11 - HA    GLU-  14  10.13 +/- 1.56   0.063% *  0.1516% (0.39   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  14  13.94 +/- 1.49   0.007% *  0.0265% (0.07   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  16.73 +/- 1.23   0.002% *  0.0468% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   11  21.10 +/- 3.47   0.001% *  0.0677% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  23.14 +/- 2.49   0.000% *  0.1192% (0.31   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  22.27 +/- 1.23   0.000% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  30.04 +/- 3.27   0.000% *  0.2654% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  23.15 +/- 0.65   0.000% *  0.0680% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  30.25 +/- 3.49   0.000% *  0.1732% (0.45   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  30.22 +/- 1.19   0.000% *  0.0421% (0.11   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  38.12 +/- 4.32   0.000% *  0.1074% (0.28   0.02   0.02) =   0.000%
    Distance limit 5.08 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 = 0.719, support = 3.62, residual support = 44.5:
    * O T HA    MET   11 - HG2   MET   11   3.73 +/- 0.52  18.372% * 64.8003% (1.00   4.00  46.09) =  64.361%  kept
      O T HA    GLU-  14 - HB2   GLU-  14   2.77 +/- 0.18  75.856% *  7.3752% (0.15   2.96  46.67) =  30.245%  kept
          HA    ALA   12 - HG2   MET   11   5.02 +/- 0.86   4.052% * 24.6090% (0.53   2.89  12.70) =   5.391%  kept
          HA    ALA   12 - HB2   GLU-  14   7.16 +/- 1.08   0.378% *  0.0638% (0.20   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB2   ARG+  54   6.32 +/- 0.77   1.010% *  0.0118% (0.04   0.02   0.02) =   0.001%
        T HA    GLU-  14 - HG2   MET   11  10.20 +/- 1.73   0.070% *  0.1332% (0.41   0.02   0.02) =   0.001%
        T HA    MET   11 - HB2   GLU-  14  10.18 +/- 1.45   0.051% *  0.1213% (0.37   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   ARG+  54   7.49 +/- 0.05   0.198% *  0.0048% (0.01   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  14  15.11 +/- 1.46   0.003% *  0.0591% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  14.90 +/- 0.57   0.003% *  0.0313% (0.10   0.02   0.02) =   0.000%
          HA    THR   39 - HG2   MET   11  20.69 +/- 2.67   0.001% *  0.1577% (0.49   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  16.26 +/- 1.09   0.002% *  0.0307% (0.09   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  20.44 +/- 1.19   0.000% *  0.1211% (0.37   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  28.10 +/- 3.06   0.000% *  0.3233% (1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.81 +/- 1.45   0.000% *  0.1120% (0.35   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG2   MET   11  31.92 +/- 4.75   0.000% *  0.1834% (0.57   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  30.62 +/- 2.59   0.000% *  0.2991% (0.92   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   GLU-  14  24.39 +/- 1.52   0.000% *  0.0687% (0.21   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  34.82 +/- 4.22   0.000% *  0.3176% (0.98   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  27.11 +/- 1.31   0.000% *  0.1189% (0.37   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ARG+  54  20.88 +/- 1.04   0.000% *  0.0177% (0.05   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  23.26 +/- 1.14   0.000% *  0.0307% (0.09   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  29.58 +/- 1.44   0.000% *  0.1189% (0.37   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  14  22.05 +/- 1.15   0.000% *  0.0187% (0.06   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  37.38 +/- 3.93   0.000% *  0.3176% (0.98   0.02   0.02) =   0.000%
          HA    ALA   57 - HG2   MET   11  28.82 +/- 3.47   0.000% *  0.0500% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  29.36 +/- 1.51   0.000% *  0.0591% (0.18   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  26.30 +/- 0.42   0.000% *  0.0289% (0.09   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  36.99 +/- 3.73   0.000% *  0.1577% (0.49   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG2   MET   11  37.57 +/- 4.24   0.000% *  0.1216% (0.38   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  14  30.67 +/- 1.26   0.000% *  0.0455% (0.14   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  26.73 +/- 0.92   0.000% *  0.0152% (0.05   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  34.80 +/- 4.45   0.000% *  0.0313% (0.10   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  27.46 +/- 0.89   0.000% *  0.0129% (0.04   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ARG+  54  29.46 +/- 0.46   0.000% *  0.0152% (0.05   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  32.18 +/- 2.81   0.000% *  0.0165% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 0.883, support = 3.31, residual support = 46.2:
    * O T QB    MET   11 - HG2   MET   11   2.28 +/- 0.15  54.047% * 79.8777% (1.00   3.31  46.09) =  85.147%  kept
      O T QG    GLU-  14 - HB2   GLU-  14   2.36 +/- 0.15  44.350% * 16.9750% (0.21   3.32  46.67) =  14.848%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.18 +/- 0.85   1.525% *  0.1311% (0.27   0.02   1.71) =   0.004%
        T QG    GLU-  14 - HG2   MET   11   9.78 +/- 1.93   0.024% *  0.2731% (0.57   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   GLU-  14   8.88 +/- 1.56   0.035% *  0.1806% (0.37   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  11.33 +/- 1.99   0.008% *  0.3502% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  13.01 +/- 1.35   0.002% *  0.0879% (0.18   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   ARG+  54  10.97 +/- 0.86   0.005% *  0.0175% (0.04   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   GLU-  14  15.86 +/- 2.15   0.001% *  0.0678% (0.14   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   MET   11  20.37 +/- 3.81   0.000% *  0.1810% (0.38   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  20.78 +/- 2.91   0.000% *  0.2348% (0.49   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  14.09 +/- 0.49   0.001% *  0.0283% (0.06   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  18.34 +/- 1.26   0.000% *  0.1095% (0.23   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  26.00 +/- 2.89   0.000% *  0.2925% (0.61   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   ARG+  54  15.90 +/- 0.39   0.000% *  0.0144% (0.03   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  17.13 +/- 0.81   0.000% *  0.0192% (0.04   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  18.19 +/- 0.60   0.000% *  0.0227% (0.05   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   11  29.63 +/- 4.64   0.000% *  0.1203% (0.25   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  15.39 +/- 0.29   0.001% *  0.0072% (0.01   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   GLU-  14  21.98 +/- 1.50   0.000% *  0.0450% (0.09   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  26.06 +/- 1.91   0.000% *  0.0743% (0.15   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  33.11 +/- 3.74   0.000% *  0.1983% (0.41   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   ARG+  54  19.29 +/- 0.89   0.000% *  0.0116% (0.02   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  23.93 +/- 0.71   0.000% *  0.0339% (0.07   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  24.84 +/- 1.20   0.000% *  0.0264% (0.05   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  25.99 +/- 1.19   0.000% *  0.0279% (0.06   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  14  29.09 +/- 1.03   0.000% *  0.0557% (0.12   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   11  37.78 +/- 4.21   0.000% *  0.1810% (0.38   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  14  30.54 +/- 1.29   0.000% *  0.0678% (0.14   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   11  35.17 +/- 2.41   0.000% *  0.1489% (0.31   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  31.08 +/- 3.45   0.000% *  0.0466% (0.10   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  32.06 +/- 2.38   0.000% *  0.0744% (0.15   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   ARG+  54  36.09 +/- 1.06   0.000% *  0.0175% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.64 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 = 0.864, support = 3.79, residual support = 46.2:
    * O T HG3   MET   11 - HG2   MET   11   1.75 +/- 0.00  49.992% * 77.6887% (1.00   4.00  46.09) =  79.008%  kept
      O T HB3   GLU-  14 - HB2   GLU-  14   1.75 +/- 0.00  49.993% * 20.6411% (0.35   3.00  46.67) =  20.992%  kept
        T HB3   GLU-  14 - HG2   MET   11  10.35 +/- 2.36   0.011% *  0.3675% (0.95   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   GLU-  14  10.26 +/- 1.64   0.002% *  0.1455% (0.37   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ARG+  54   9.47 +/- 0.41   0.002% *  0.0168% (0.04   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLU-  14  13.21 +/- 1.69   0.000% *  0.0255% (0.07   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ARG+  54  13.30 +/- 1.18   0.000% *  0.0104% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   GLU-  14  16.76 +/- 1.57   0.000% *  0.0449% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   MET   11  21.04 +/- 3.37   0.000% *  0.0680% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   11  22.81 +/- 2.47   0.000% *  0.1199% (0.31   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   GLU-  14  22.31 +/- 1.17   0.000% *  0.0999% (0.26   0.02   0.02) =   0.000%
          HB3   MET   96 - HG2   MET   11  29.94 +/- 2.87   0.000% *  0.2668% (0.69   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   ARG+  54  19.73 +/- 0.56   0.000% *  0.0258% (0.07   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB2   GLU-  14  24.44 +/- 1.11   0.000% *  0.0652% (0.17   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG2   MET   11  30.19 +/- 3.19   0.000% *  0.1742% (0.45   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HB2   ARG+  54  28.45 +/- 1.35   0.000% *  0.0355% (0.09   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLU-  14  30.67 +/- 1.17   0.000% *  0.0404% (0.10   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   MET   11  38.14 +/- 3.86   0.000% *  0.1080% (0.28   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   ARG+  54  34.65 +/- 4.41   0.000% *  0.0376% (0.10   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   ARG+  54  26.04 +/- 0.60   0.000% *  0.0116% (0.03   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HB2   ARG+  54  25.91 +/- 0.57   0.000% *  0.0066% (0.02   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 = 0.844, support = 3.77, residual support = 43.8:
    * O T HA    MET   11 - HG3   MET   11   3.30 +/- 0.67  34.039% * 64.9824% (1.00   4.00  46.09) =  78.578%  kept
      O T HA    GLU-  14 - HB3   GLU-  14   2.89 +/- 0.14  57.016% *  7.0118% (0.15   2.96  46.67) =  14.202%  kept
          HA    ALA   12 - HG3   MET   11   4.65 +/- 1.05   8.102% * 25.0764% (0.53   2.93  12.70) =   7.218%  kept
          HA    ALA   12 - HB3   GLU-  14   7.27 +/- 1.57   0.679% *  0.0607% (0.19   0.02   0.02) =   0.001%
        T HA    MET   11 - HB3   GLU-  14  10.32 +/- 2.02   0.102% *  0.1154% (0.36   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HG3   MET   11  10.13 +/- 1.56   0.055% *  0.1336% (0.41   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  14  14.90 +/- 1.30   0.004% *  0.0561% (0.17   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   MET   11  20.90 +/- 2.40   0.001% *  0.1582% (0.49   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  14  20.27 +/- 1.24   0.001% *  0.1151% (0.35   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   MET   11  28.03 +/- 3.02   0.000% *  0.3242% (1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  14  23.61 +/- 1.31   0.000% *  0.1065% (0.33   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   MET   11  30.74 +/- 2.24   0.000% *  0.2999% (0.92   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   GLU-  14  24.38 +/- 1.56   0.000% *  0.0653% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG3   MET   11  31.76 +/- 4.56   0.000% *  0.1840% (0.57   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  14  27.02 +/- 1.39   0.000% *  0.1131% (0.35   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   MET   11  34.67 +/- 4.16   0.000% *  0.3185% (0.98   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  14  29.48 +/- 1.58   0.000% *  0.1131% (0.35   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  14  21.88 +/- 1.23   0.000% *  0.0178% (0.05   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   MET   11  37.32 +/- 3.66   0.000% *  0.3185% (0.98   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   MET   11  28.65 +/- 3.71   0.000% *  0.0501% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   GLU-  14  29.26 +/- 1.71   0.000% *  0.0561% (0.17   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   MET   11  36.98 +/- 3.37   0.000% *  0.1582% (0.49   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   MET   11  37.34 +/- 4.46   0.000% *  0.1219% (0.38   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  14  30.55 +/- 1.36   0.000% *  0.0433% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 0.847, support = 3.31, residual support = 46.2:
    * O T QB    MET   11 - HG3   MET   11   2.47 +/- 0.14  45.148% * 80.8242% (1.00   3.31  46.09) =  80.883%  kept
      O T QG    GLU-  14 - HB3   GLU-  14   2.40 +/- 0.15  52.947% * 16.2840% (0.20   3.32  46.67) =  19.111%  kept
        T QG    GLU-  15 - HB3   GLU-  14   4.97 +/- 0.92   1.778% *  0.1258% (0.26   0.02   1.71) =   0.005%
        T QB    MET   11 - HB3   GLU-  14   9.02 +/- 1.98   0.087% *  0.1733% (0.36   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HG3   MET   11   9.76 +/- 1.69   0.024% *  0.2763% (0.57   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG3   MET   11  11.38 +/- 1.76   0.010% *  0.3544% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  14  12.83 +/- 1.25   0.003% *  0.0843% (0.17   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB3   GLU-  14  15.76 +/- 2.25   0.001% *  0.0650% (0.13   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   MET   11  20.74 +/- 2.83   0.000% *  0.2375% (0.49   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   MET   11  20.63 +/- 3.47   0.000% *  0.1832% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  14  18.17 +/- 1.40   0.000% *  0.1051% (0.22   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   MET   11  25.91 +/- 2.94   0.000% *  0.2960% (0.61   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   MET   11  29.47 +/- 4.46   0.000% *  0.1217% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   GLU-  14  21.96 +/- 1.53   0.000% *  0.0432% (0.09   0.02   0.02) =   0.000%
          QG    GLN   90 - HG3   MET   11  33.02 +/- 3.63   0.000% *  0.2006% (0.41   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   GLU-  14  25.94 +/- 1.95   0.000% *  0.0712% (0.15   0.02   0.02) =   0.000%
          HG2   MET   92 - HG3   MET   11  37.64 +/- 4.34   0.000% *  0.1832% (0.38   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   MET   11  35.17 +/- 2.45   0.000% *  0.1506% (0.31   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB3   GLU-  14  28.89 +/- 1.01   0.000% *  0.0535% (0.11   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  14  25.75 +/- 1.19   0.000% *  0.0267% (0.05   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  14  30.40 +/- 1.58   0.000% *  0.0650% (0.13   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   MET   11  32.04 +/- 2.54   0.000% *  0.0753% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 0.864, support = 3.79, residual support = 46.2:
    * O T HG2   MET   11 - HG3   MET   11   1.75 +/- 0.00  49.993% * 77.3689% (1.00   4.00  46.09) =  79.008%  kept
      O T HB2   GLU-  14 - HB3   GLU-  14   1.75 +/- 0.00  49.994% * 20.5561% (0.35   3.00  46.67) =  20.992%  kept
        T HG2   MET   11 - HB3   GLU-  14  10.35 +/- 2.36   0.011% *  0.1373% (0.36   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HG3   MET   11  10.26 +/- 1.64   0.002% *  0.3860% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   GLU-  14  11.28 +/- 1.22   0.001% *  0.0382% (0.10   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   MET   11  16.11 +/- 2.47   0.000% *  0.1076% (0.28   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   MET   11  31.68 +/- 3.53   0.000% *  0.3792% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   GLU-  14  25.61 +/- 1.17   0.000% *  0.1346% (0.35   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   MET   11  35.92 +/- 3.98   0.000% *  0.3792% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLU-  14  24.71 +/- 1.26   0.000% *  0.0565% (0.15   0.02   0.02) =   0.000%
          HG3   PRO   52 - HB3   GLU-  14  28.69 +/- 1.25   0.000% *  0.1346% (0.35   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   MET   11  32.14 +/- 3.57   0.000% *  0.1590% (0.41   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   MET   11  34.65 +/- 4.41   0.000% *  0.0678% (0.18   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLU-  14  28.45 +/- 1.35   0.000% *  0.0241% (0.06   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLU-  14  31.29 +/- 1.20   0.000% *  0.0186% (0.05   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   MET   11  38.71 +/- 2.83   0.000% *  0.0524% (0.14   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 = 0.848, support = 3.42, residual support = 46.2:
    * O T HA    MET   11 - QB    MET   11   2.32 +/- 0.14  39.161% * 82.4085% (1.00   3.39  46.09) =  82.487%  kept
      O T HA    GLU-  14 - QG    GLU-  14   2.19 +/- 0.30  58.767% * 11.6529% (0.13   3.59  46.67) =  17.504%  kept
          HA    ALA   12 - QB    MET   11   4.20 +/- 0.30   1.227% *  0.2561% (0.53   0.02  12.70) =   0.008%
        T HA    GLU-  14 - QG    GLU-  15   4.81 +/- 0.56   0.679% *  0.0483% (0.10   0.02   1.71) =   0.001%
          HA    ALA   12 - QG    GLU-  14   7.03 +/- 0.78   0.061% *  0.0831% (0.17   0.02   0.02) =   0.000%
        T HA    GLU-  14 - QB    MET   11   8.87 +/- 1.27   0.024% *  0.2001% (0.41   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   8.77 +/- 1.55   0.040% *  0.0617% (0.13   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  14   9.74 +/- 1.61   0.015% *  0.1580% (0.32   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  15   9.91 +/- 1.64   0.010% *  0.0571% (0.12   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  11.47 +/- 1.36   0.003% *  0.1174% (0.24   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   GLU-  36  10.02 +/- 1.35   0.008% *  0.0295% (0.06   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  14  14.12 +/- 1.48   0.001% *  0.0769% (0.16   0.02   0.02) =   0.000%
          HA    THR   39 - QB    MET   11  18.31 +/- 2.60   0.000% *  0.2370% (0.49   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  15.85 +/- 1.29   0.000% *  0.1171% (0.24   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  17.99 +/- 1.12   0.000% *  0.1576% (0.32   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  18.01 +/- 1.71   0.000% *  0.1083% (0.22   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  24.98 +/- 2.64   0.000% *  0.4857% (1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   GLU-  36  17.44 +/- 0.58   0.000% *  0.0560% (0.12   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  21.52 +/- 1.40   0.000% *  0.1458% (0.30   0.02   0.02) =   0.000%
          HA    MET   11 - HG3   GLU-  36  20.66 +/- 3.76   0.000% *  0.0607% (0.12   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG3   GLU-  36  17.16 +/- 2.20   0.000% *  0.0249% (0.05   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  27.20 +/- 2.48   0.000% *  0.4494% (0.92   0.02   0.02) =   0.000%
        T HA    GLU-  79 - QB    MET   11  28.41 +/- 4.18   0.000% *  0.2756% (0.57   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  14  21.24 +/- 1.22   0.000% *  0.0894% (0.18   0.02   0.02) =   0.000%
          HA    ALA   12 - HG3   GLU-  36  19.40 +/- 3.03   0.000% *  0.0319% (0.07   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  31.00 +/- 3.67   0.000% *  0.4772% (0.98   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  23.74 +/- 1.11   0.000% *  0.1549% (0.32   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  23.18 +/- 1.25   0.000% *  0.1150% (0.24   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  15  21.95 +/- 1.26   0.000% *  0.0664% (0.14   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  15  17.66 +/- 0.74   0.000% *  0.0181% (0.04   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  14  19.14 +/- 1.13   0.000% *  0.0244% (0.05   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  33.24 +/- 3.57   0.000% *  0.4772% (0.98   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  26.16 +/- 1.18   0.000% *  0.1549% (0.32   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  25.16 +/- 1.39   0.000% *  0.1150% (0.24   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   GLU-  36  22.46 +/- 0.63   0.000% *  0.0605% (0.12   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    MET   11  25.67 +/- 2.87   0.000% *  0.0751% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  24.82 +/- 1.52   0.000% *  0.0571% (0.12   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  32.88 +/- 3.51   0.000% *  0.2370% (0.49   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  26.12 +/- 1.28   0.000% *  0.0769% (0.16   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    MET   11  33.47 +/- 3.57   0.000% *  0.1827% (0.38   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  14  26.70 +/- 1.23   0.000% *  0.0593% (0.12   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   GLU-  36  27.05 +/- 0.61   0.000% *  0.0595% (0.12   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  15  26.09 +/- 0.84   0.000% *  0.0440% (0.09   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   GLU-  36  24.39 +/- 0.82   0.000% *  0.0295% (0.06   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   GLU-  36  28.85 +/- 0.64   0.000% *  0.0595% (0.12   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HG3   GLU-  36  26.83 +/- 0.57   0.000% *  0.0343% (0.07   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   GLU-  36  28.86 +/- 1.04   0.000% *  0.0094% (0.02   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   GLU-  36  36.64 +/- 0.63   0.000% *  0.0228% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 0.858, support = 3.31, residual support = 46.2:
    * O T HG2   MET   11 - QB    MET   11   2.28 +/- 0.15  53.932% * 73.1439% (1.00   3.31  46.09) =  78.969%  kept
      O T HB2   GLU-  14 - QG    GLU-  14   2.36 +/- 0.15  44.245% * 23.7399% (0.32   3.32  46.67) =  21.027%  kept
        T HB2   GLU-  14 - QG    GLU-  15   5.18 +/- 0.85   1.524% *  0.1062% (0.24   0.02   1.71) =   0.003%
        T HB2   GLU-  14 - QB    MET   11   8.88 +/- 1.56   0.035% *  0.4407% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  15   6.48 +/- 1.25   0.218% *  0.0296% (0.07   0.02   0.02) =   0.000%
        T HG2   MET   11 - QG    GLU-  14   9.78 +/- 1.93   0.023% *  0.1433% (0.32   0.02   0.02) =   0.000%
        T HG2   MET   11 - QG    GLU-  15  11.33 +/- 1.99   0.008% *  0.1065% (0.24   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  14  10.51 +/- 1.45   0.011% *  0.0398% (0.09   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    MET   11  14.28 +/- 1.58   0.001% *  0.1228% (0.28   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HG3   GLU-  36  15.86 +/- 2.15   0.001% *  0.0549% (0.12   0.02   0.02) =   0.000%
        T HG2   MET   11 - HG3   GLU-  36  20.37 +/- 3.81   0.000% *  0.0550% (0.12   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  15  20.47 +/- 0.75   0.000% *  0.1044% (0.24   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  14  22.56 +/- 1.06   0.000% *  0.1405% (0.32   0.02   0.02) =   0.000%
          HG2   PRO   58 - QB    MET   11  28.35 +/- 2.62   0.000% *  0.4329% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  15  20.19 +/- 1.14   0.000% *  0.0438% (0.10   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  14  21.75 +/- 1.13   0.000% *  0.0589% (0.13   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  14  25.20 +/- 1.17   0.000% *  0.1405% (0.32   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  15  23.98 +/- 0.92   0.000% *  0.1044% (0.24   0.02   0.02) =   0.000%
          HG3   PRO   52 - QB    MET   11  32.13 +/- 3.24   0.000% *  0.4329% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    MET   11  28.73 +/- 2.86   0.000% *  0.1816% (0.41   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   GLU-  36  19.02 +/- 1.62   0.000% *  0.0153% (0.03   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QB    MET   11  31.08 +/- 3.45   0.000% *  0.0773% (0.18   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  14  24.84 +/- 1.20   0.000% *  0.0251% (0.06   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  15  23.93 +/- 0.71   0.000% *  0.0186% (0.04   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  15  25.13 +/- 1.28   0.000% *  0.0144% (0.03   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   GLU-  36  32.48 +/- 1.10   0.000% *  0.0539% (0.12   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   GLU-  36  32.94 +/- 0.54   0.000% *  0.0539% (0.12   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  14  27.94 +/- 1.22   0.000% *  0.0194% (0.04   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   GLU-  36  28.65 +/- 0.59   0.000% *  0.0226% (0.05   0.02   0.02) =   0.000%
          HB    VAL  108 - QB    MET   11  34.46 +/- 2.46   0.000% *  0.0598% (0.14   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   GLU-  36  30.33 +/- 0.79   0.000% *  0.0074% (0.02   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   GLU-  36  36.09 +/- 1.06   0.000% *  0.0096% (0.02   0.02   0.02) =   0.000%
    Distance limit 2.50 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 = 0.816, support = 3.31, residual support = 46.2:
    * O T HG3   MET   11 - QB    MET   11   2.47 +/- 0.14  45.136% * 74.6807% (1.00   3.31  46.09) =  73.479%  kept
      O T HB3   GLU-  14 - QG    GLU-  14   2.40 +/- 0.15  52.933% * 22.9798% (0.31   3.32  46.67) =  26.516%  kept
        T HB3   GLU-  14 - QG    GLU-  15   4.97 +/- 0.92   1.777% *  0.1028% (0.23   0.02   1.71) =   0.004%
        T HB3   GLU-  14 - QB    MET   11   9.02 +/- 1.98   0.087% *  0.4265% (0.95   0.02   0.02) =   0.001%
        T HG3   MET   11 - QG    GLU-  14   9.76 +/- 1.69   0.024% *  0.1463% (0.32   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  15  11.38 +/- 1.76   0.010% *  0.1087% (0.24   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  10.99 +/- 1.57   0.008% *  0.0336% (0.07   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  15  10.94 +/- 1.57   0.009% *  0.0190% (0.04   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  14  11.92 +/- 1.35   0.005% *  0.0256% (0.06   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HG3   GLU-  36  15.76 +/- 2.25   0.001% *  0.0531% (0.12   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  15.39 +/- 1.59   0.001% *  0.0452% (0.10   0.02   0.02) =   0.000%
          HB3   GLN   30 - QB    MET   11  18.62 +/- 3.29   0.001% *  0.0790% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   GLU-  36  11.77 +/- 0.75   0.004% *  0.0098% (0.02   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  17.35 +/- 1.67   0.000% *  0.0747% (0.17   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG3   GLU-  36  13.99 +/- 1.18   0.002% *  0.0173% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  20.24 +/- 2.24   0.000% *  0.1392% (0.31   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  19.86 +/- 1.31   0.000% *  0.1005% (0.22   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   GLU-  36  20.63 +/- 3.47   0.000% *  0.0562% (0.12   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  26.61 +/- 2.64   0.000% *  0.3097% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  19.21 +/- 0.75   0.000% *  0.0487% (0.11   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  26.90 +/- 2.56   0.000% *  0.2022% (0.45   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  21.37 +/- 1.06   0.000% *  0.0656% (0.15   0.02   0.02) =   0.000%
          HB3   MET   96 - HG3   GLU-  36  20.42 +/- 0.53   0.000% *  0.0386% (0.09   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  33.96 +/- 3.40   0.000% *  0.1254% (0.28   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  25.35 +/- 1.15   0.000% *  0.0302% (0.07   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  26.98 +/- 1.20   0.000% *  0.0407% (0.09   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   GLU-  36  31.71 +/- 1.21   0.000% *  0.0252% (0.06   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   GLU-  36  32.18 +/- 0.46   0.000% *  0.0156% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 12.2:
    * O T QB    ALA   12 - HA    ALA   12   2.13 +/- 0.02  99.998% * 92.4662% (0.82   2.00  12.20) = 100.000%  kept
          HG3   LYS+  33 - HA    ALA   12  16.20 +/- 2.79   0.001% *  0.9247% (0.82   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   12  18.12 +/- 2.29   0.000% *  0.8766% (0.78   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   12  19.86 +/- 2.14   0.000% *  0.8165% (0.72   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   12  20.68 +/- 1.63   0.000% *  0.8766% (0.78   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   12  20.28 +/- 2.49   0.000% *  0.4382% (0.39   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA   12  22.91 +/- 1.72   0.000% *  0.7098% (0.63   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   12  31.27 +/- 2.62   0.000% *  0.7827% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   12  27.34 +/- 2.54   0.000% *  0.2718% (0.24   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   12  31.31 +/- 1.90   0.000% *  0.5929% (0.53   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   12  29.49 +/- 1.82   0.000% *  0.4019% (0.36   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   12  36.38 +/- 1.99   0.000% *  0.7098% (0.63   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   12  29.77 +/- 1.99   0.000% *  0.1323% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 0.82, support = 2.0, residual support = 12.2:
    * O T HA    ALA   12 - QB    ALA   12   2.13 +/- 0.02  96.986% * 95.7393% (0.82   2.00  12.20) =  99.989%  kept
          HA    MET   11 - QB    ALA   12   3.88 +/- 0.22   2.809% *  0.2752% (0.24   0.02  12.70) =   0.008%
          HA    GLU-  14 - QB    ALA   12   6.08 +/- 0.50   0.204% *  1.0441% (0.89   0.02   0.02) =   0.002%
          HA    LEU  104 - QB    ALA   12  25.04 +/- 1.95   0.000% *  1.0441% (0.89   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   12  21.42 +/- 1.86   0.000% *  0.2457% (0.21   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    ALA   12  28.95 +/- 2.10   0.000% *  0.9898% (0.85   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    ALA   12  26.97 +/- 1.89   0.000% *  0.2752% (0.24   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   12  26.86 +/- 2.26   0.000% *  0.1933% (0.17   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   12  29.11 +/- 2.09   0.000% *  0.1933% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 0.922, support = 1.99, residual support = 10.2:
    * O T QB    SER   13 - HA    SER   13   2.41 +/- 0.15  75.824% * 58.1010% (1.00   1.93   7.29) =  84.216%  kept
      O T HB3   SER   37 - HA    SER   37   2.95 +/- 0.16  23.512% * 35.1089% (0.51   2.31  25.62) =  15.780%  kept
          HB    THR   39 - HA    SER   37   5.64 +/- 0.31   0.524% *  0.3205% (0.53   0.02   2.73) =   0.003%
          HD3   PRO   52 - HA    THR   46   7.54 +/- 0.12   0.084% *  0.1241% (0.21   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   46   8.99 +/- 0.44   0.030% *  0.3442% (0.57   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    SER   13  14.65 +/- 1.76   0.002% *  0.5687% (0.95   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    SER   37  14.32 +/- 1.93   0.004% *  0.3212% (0.53   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   37  10.32 +/- 0.31   0.013% *  0.0893% (0.15   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  14.83 +/- 1.61   0.002% *  0.5998% (1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   13  14.79 +/- 2.51   0.003% *  0.1671% (0.28   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  14.87 +/- 0.29   0.001% *  0.2207% (0.37   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  16.33 +/- 0.45   0.001% *  0.3156% (0.52   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.37 +/- 0.37   0.000% *  0.3630% (0.60   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  23.32 +/- 2.29   0.000% *  0.3638% (0.61   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  23.79 +/- 0.54   0.000% *  0.3442% (0.57   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   46  19.55 +/- 0.27   0.000% *  0.1012% (0.17   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  25.24 +/- 0.80   0.000% *  0.2786% (0.46   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  29.05 +/- 3.03   0.000% *  0.5215% (0.87   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  23.90 +/- 0.30   0.000% *  0.1948% (0.32   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  26.68 +/- 0.28   0.000% *  0.3039% (0.51   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  27.75 +/- 1.50   0.000% *  0.3646% (0.61   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  30.71 +/- 2.39   0.000% *  0.5687% (0.95   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   13  32.41 +/- 2.24   0.000% *  0.2051% (0.34   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   37  33.91 +/- 0.39   0.000% *  0.1096% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 0.923, support = 1.99, residual support = 10.3:
    * O T HA    SER   13 - QB    SER   13   2.41 +/- 0.15  75.746% * 57.1329% (1.00   1.93   7.29) =  83.591%  kept
      O T HA    SER   37 - HB3   SER   37   2.95 +/- 0.16  23.499% * 36.1414% (0.53   2.31  25.62) =  16.405%  kept
          HA    GLU-  15 - QB    SER   13   6.81 +/- 0.87   0.218% *  0.5911% (1.00   0.02   0.02) =   0.002%
          HA    ASN   35 - HB3   SER   37   5.96 +/- 0.38   0.381% *  0.1230% (0.21   0.02   0.02) =   0.001%
          HA    LEU   40 - HB3   SER   37   7.80 +/- 0.53   0.073% *  0.5226% (0.88   0.02   0.02) =   0.001%
          HA    GLN   17 - QB    SER   13  10.27 +/- 1.27   0.017% *  0.3347% (0.57   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   SER   37  11.24 +/- 1.02   0.009% *  0.5525% (0.93   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   SER   37   8.42 +/- 0.59   0.047% *  0.0748% (0.13   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  14.65 +/- 1.76   0.002% *  0.5525% (0.93   0.02   0.02) =   0.000%
        T HA    SER   37 - QB    SER   13  14.32 +/- 1.93   0.004% *  0.3347% (0.57   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  15.15 +/- 0.78   0.001% *  0.3128% (0.53   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  17.14 +/- 1.52   0.001% *  0.5592% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  20.77 +/- 1.39   0.000% *  0.5898% (1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    SER   13  18.01 +/- 2.16   0.001% *  0.1316% (0.22   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  23.32 +/- 2.29   0.000% *  0.3824% (0.65   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  24.64 +/- 0.87   0.000% *  0.5513% (0.93   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    SER   13  19.02 +/- 1.71   0.000% *  0.0800% (0.14   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  23.79 +/- 0.54   0.000% *  0.3574% (0.60   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   SER   37  21.86 +/- 1.09   0.000% *  0.1885% (0.32   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    SER   13  22.22 +/- 0.95   0.000% *  0.2016% (0.34   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    SER   13  24.23 +/- 1.52   0.000% *  0.1474% (0.25   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   SER   37  25.66 +/- 0.79   0.000% *  0.1378% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.932, support = 3.07, residual support = 46.6:
    * O T HB2   GLU-  14 - HA    GLU-  14   2.77 +/- 0.18  80.599% * 63.8135% (1.00   2.96  46.67) =  88.780%  kept
      O T HG2   MET   11 - HA    MET   11   3.73 +/- 0.52  19.230% * 33.7987% (0.39   4.00  46.09) =  11.219%  kept
        T HG2   MET   11 - HA    GLU-  14  10.20 +/- 1.73   0.078% *  0.4306% (1.00   0.02   0.02) =   0.001%
        T HB2   GLU-  14 - HA    MET   11  10.18 +/- 1.45   0.056% *  0.1694% (0.39   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  10.44 +/- 0.79   0.031% *  0.1332% (0.31   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    GLU-  14  15.73 +/- 1.43   0.003% *  0.0666% (0.15   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  16.41 +/- 1.91   0.003% *  0.0523% (0.12   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  24.58 +/- 0.68   0.000% *  0.4278% (0.99   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  28.14 +/- 0.95   0.000% *  0.4278% (0.99   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  24.22 +/- 0.92   0.000% *  0.1620% (0.38   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    MET   11  20.30 +/- 3.43   0.001% *  0.0261% (0.06   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  31.87 +/- 3.58   0.000% *  0.1679% (0.39   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  27.46 +/- 0.89   0.000% *  0.0666% (0.15   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  36.01 +/- 4.19   0.000% *  0.1679% (0.39   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  32.24 +/- 3.80   0.000% *  0.0636% (0.15   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  34.80 +/- 4.45   0.000% *  0.0261% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 0.905, support = 3.56, residual support = 46.6:
    * O T QG    GLU-  14 - HA    GLU-  14   2.19 +/- 0.30  59.584% * 79.6917% (1.00   3.59  46.67) =  87.746%  kept
      O T QB    MET   11 - HA    MET   11   2.32 +/- 0.14  39.679% * 16.7052% (0.22   3.39  46.09) =  12.249%  kept
        T QG    GLU-  15 - HA    GLU-  14   4.81 +/- 0.56   0.689% *  0.4287% (0.97   0.02   1.71) =   0.005%
        T QB    MET   11 - HA    GLU-  14   8.87 +/- 1.27   0.025% *  0.2515% (0.57   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    MET   11   9.74 +/- 1.61   0.015% *  0.1743% (0.39   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLU-  14  12.44 +/- 1.24   0.003% *  0.4403% (0.99   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    MET   11  11.47 +/- 1.36   0.003% *  0.1682% (0.38   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    GLU-  14  17.76 +/- 1.10   0.000% *  0.4432% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  14  15.15 +/- 1.40   0.001% *  0.1371% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   11  20.83 +/- 3.13   0.000% *  0.1728% (0.39   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   11  20.84 +/- 3.89   0.000% *  0.0538% (0.12   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  14  26.04 +/- 1.88   0.000% *  0.4287% (0.97   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  14  25.06 +/- 0.93   0.000% *  0.3051% (0.69   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   11  26.00 +/- 3.34   0.000% *  0.1739% (0.39   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    MET   11  33.00 +/- 3.87   0.000% *  0.1682% (0.38   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   11  32.24 +/- 2.72   0.000% *  0.1197% (0.27   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  14  30.77 +/- 1.33   0.000% *  0.0989% (0.22   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    MET   11  38.63 +/- 4.66   0.000% *  0.0388% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 0.935, support = 2.76, residual support = 43.6:
    * O T HA    GLU-  14 - HB2   GLU-  14   2.77 +/- 0.18  76.807% * 61.9846% (1.00   2.96  46.67) =  93.496%  kept
      O T HA    MET   11 - HG2   MET   11   3.73 +/- 0.52  18.566% * 12.9081% (0.15   4.00  46.09) =   4.706%
          HA    ALA   12 - HG2   MET   11   5.02 +/- 0.86   4.112% * 22.2151% (0.37   2.89  12.70) =   1.794%
          HA    ALA   12 - HB2   GLU-  14   7.16 +/- 1.08   0.383% *  0.4109% (0.98   0.02   0.02) =   0.003%
        T HA    GLU-  14 - HG2   MET   11  10.20 +/- 1.73   0.072% *  0.1570% (0.37   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   GLU-  14  10.18 +/- 1.45   0.052% *  0.1723% (0.41   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  14.90 +/- 0.57   0.003% *  0.0231% (0.06   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  20.44 +/- 1.19   0.000% *  0.1573% (0.38   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   GLU-  14  25.31 +/- 1.45   0.000% *  0.3357% (0.80   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  16.26 +/- 1.09   0.002% *  0.0190% (0.05   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  29.36 +/- 1.51   0.000% *  0.4155% (0.99   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.81 +/- 1.45   0.000% *  0.0933% (0.22   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  27.11 +/- 1.31   0.000% *  0.1294% (0.31   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  29.58 +/- 1.44   0.000% *  0.1294% (0.31   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  26.73 +/- 0.92   0.000% *  0.0611% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  28.10 +/- 3.06   0.000% *  0.0589% (0.14   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   GLU-  14  26.90 +/- 1.47   0.000% *  0.0567% (0.14   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  27.46 +/- 0.89   0.000% *  0.0616% (0.15   0.02   0.02) =   0.000%
          HA    LEU  104 - HG2   MET   11  31.53 +/- 2.33   0.000% *  0.1257% (0.30   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  23.26 +/- 1.14   0.000% *  0.0190% (0.05   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ARG+  54  27.42 +/- 0.33   0.000% *  0.0494% (0.12   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  36.99 +/- 3.73   0.000% *  0.1556% (0.37   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  32.18 +/- 2.81   0.000% *  0.0604% (0.14   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  34.82 +/- 4.22   0.000% *  0.0485% (0.12   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   ARG+  54  23.87 +/- 0.71   0.000% *  0.0083% (0.02   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  30.62 +/- 2.59   0.000% *  0.0350% (0.08   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  26.30 +/- 0.42   0.000% *  0.0137% (0.03   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  34.80 +/- 4.45   0.000% *  0.0253% (0.06   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  37.38 +/- 3.93   0.000% *  0.0485% (0.12   0.02   0.02) =   0.000%
          HA    TRP   87 - HG2   MET   11  34.58 +/- 3.41   0.000% *  0.0212% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 0.838, support = 3.32, residual support = 46.5:
    * O T QG    GLU-  14 - HB2   GLU-  14   2.36 +/- 0.15  44.351% * 79.0107% (1.00   3.32  46.67) =  79.494%  kept
      O T QB    MET   11 - HG2   MET   11   2.28 +/- 0.15  54.047% * 16.7119% (0.21   3.31  46.09) =  20.490%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.18 +/- 0.85   1.525% *  0.4593% (0.97   0.02   1.71) =   0.016%
        T QB    MET   11 - HB2   GLU-  14   8.88 +/- 1.56   0.035% *  0.2695% (0.57   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HG2   MET   11   9.78 +/- 1.93   0.024% *  0.1782% (0.37   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  11.33 +/- 1.99   0.008% *  0.1720% (0.36   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  13.01 +/- 1.35   0.002% *  0.4717% (0.99   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU-  14  13.94 +/- 1.60   0.001% *  0.1469% (0.31   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  18.34 +/- 1.26   0.000% *  0.4749% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  14.09 +/- 0.49   0.001% *  0.0698% (0.15   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ARG+  54  11.66 +/- 1.14   0.004% *  0.0156% (0.03   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  15.39 +/- 0.29   0.001% *  0.0481% (0.10   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  20.78 +/- 2.91   0.000% *  0.1767% (0.37   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  17.13 +/- 0.81   0.000% *  0.0675% (0.14   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  18.19 +/- 0.60   0.000% *  0.0694% (0.15   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  26.06 +/- 1.91   0.000% *  0.4593% (0.97   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG2   MET   11  20.85 +/- 3.99   0.000% *  0.0550% (0.12   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  25.99 +/- 1.19   0.000% *  0.3269% (0.69   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  26.00 +/- 2.89   0.000% *  0.1778% (0.37   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  23.93 +/- 0.71   0.000% *  0.0675% (0.14   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  24.84 +/- 1.20   0.000% *  0.0700% (0.15   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  33.11 +/- 3.74   0.000% *  0.1720% (0.36   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  32.06 +/- 2.38   0.000% *  0.1224% (0.26   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU-  14  31.33 +/- 1.29   0.000% *  0.1060% (0.22   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  31.08 +/- 3.45   0.000% *  0.0396% (0.08   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ARG+  54  30.38 +/- 0.90   0.000% *  0.0216% (0.05   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   MET   11  38.66 +/- 4.15   0.000% *  0.0397% (0.08   0.02   0.02) =   0.000%
    Distance limit 2.52 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 = 0.933, support = 3.57, residual support = 46.6:
    * O T HA    GLU-  14 - QG    GLU-  14   2.19 +/- 0.30  58.779% * 84.2069% (1.00   3.59  46.67) =  92.252%  kept
      O T HA    MET   11 - QB    MET   11   2.32 +/- 0.14  39.170% * 10.5997% (0.13   3.39  46.09) =   7.738%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.81 +/- 0.56   0.679% *  0.4130% (0.88   0.02   1.71) =   0.005%
          HA    ALA   12 - QB    MET   11   4.20 +/- 0.30   1.227% *  0.1493% (0.32   0.02  12.70) =   0.003%
          HA    ALA   12 - QG    GLU-  14   7.03 +/- 0.78   0.061% *  0.4601% (0.98   0.02   0.02) =   0.001%
          HA    ALA   12 - QG    GLU-  15   8.77 +/- 1.55   0.040% *  0.4048% (0.86   0.02   0.02) =   0.000%
        T HA    GLU-  14 - QB    MET   11   8.87 +/- 1.27   0.024% *  0.1523% (0.32   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  14   9.74 +/- 1.61   0.015% *  0.1930% (0.41   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  11.47 +/- 1.36   0.003% *  0.1698% (0.36   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  15.85 +/- 1.29   0.000% *  0.1550% (0.33   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  15  18.87 +/- 1.67   0.000% *  0.3307% (0.70   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  17.99 +/- 1.12   0.000% *  0.1762% (0.38   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  18.01 +/- 1.71   0.000% *  0.0919% (0.20   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  14  22.92 +/- 1.37   0.000% *  0.3758% (0.80   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  24.82 +/- 1.52   0.000% *  0.4093% (0.87   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  26.12 +/- 1.28   0.000% *  0.4652% (0.99   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  21.52 +/- 1.40   0.000% *  0.1045% (0.22   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  23.18 +/- 1.25   0.000% *  0.1275% (0.27   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  23.74 +/- 1.11   0.000% *  0.1449% (0.31   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  25.16 +/- 1.39   0.000% *  0.1275% (0.27   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  15  22.10 +/- 1.52   0.000% *  0.0559% (0.12   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  26.16 +/- 1.18   0.000% *  0.1449% (0.31   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  14  23.96 +/- 1.18   0.000% *  0.0635% (0.14   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  24.98 +/- 2.64   0.000% *  0.0572% (0.12   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    MET   11  28.01 +/- 2.25   0.000% *  0.1220% (0.26   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  32.88 +/- 3.51   0.000% *  0.1510% (0.32   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  27.20 +/- 2.48   0.000% *  0.0339% (0.07   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  31.00 +/- 3.67   0.000% *  0.0470% (0.10   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  33.24 +/- 3.57   0.000% *  0.0470% (0.10   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    MET   11  30.74 +/- 3.15   0.000% *  0.0206% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.66 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 = 0.856, support = 3.32, residual support = 46.5:
    * O T HB3   GLU-  14 - QG    GLU-  14   2.40 +/- 0.15  52.944% * 74.1866% (1.00   3.32  46.67) =  79.281%  kept
      O T HG3   MET   11 - QB    MET   11   2.47 +/- 0.14  45.146% * 22.7207% (0.31   3.31  46.09) =  20.704%  kept
        T HB3   GLU-  14 - QG    GLU-  15   4.97 +/- 0.92   1.778% *  0.3932% (0.88   0.02   1.71) =   0.014%
        T HB3   GLU-  14 - QB    MET   11   9.02 +/- 1.98   0.087% *  0.1450% (0.32   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  14   9.76 +/- 1.69   0.024% *  0.4227% (0.95   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  15  11.38 +/- 1.76   0.010% *  0.3719% (0.83   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  10.99 +/- 1.57   0.008% *  0.1914% (0.43   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  15.39 +/- 1.59   0.001% *  0.2175% (0.49   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  17.35 +/- 1.67   0.000% *  0.3411% (0.76   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  19.86 +/- 1.31   0.000% *  0.3876% (0.87   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  19.21 +/- 0.75   0.000% *  0.1093% (0.24   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  20.24 +/- 2.24   0.000% *  0.0706% (0.16   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  21.37 +/- 1.06   0.000% *  0.1242% (0.28   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  26.61 +/- 2.64   0.000% *  0.1258% (0.28   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  25.35 +/- 1.15   0.000% *  0.0607% (0.14   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  26.98 +/- 1.20   0.000% *  0.0690% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  26.90 +/- 2.56   0.000% *  0.0403% (0.09   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  33.96 +/- 3.40   0.000% *  0.0224% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.997, support = 2.19, residual support = 9.76:
    * O T QG    GLU-  15 - HA    GLU-  15   2.60 +/- 0.56  93.689% * 42.2839% (1.00   2.14  10.42) =  92.429%  kept
        T QG    GLU-  14 - HA    GLU-  15   4.66 +/- 0.69   6.063% * 53.5096% (0.97   2.80   1.71) =   7.569%  kept
          HB3   PHE   72 - HA    GLU-  15   8.82 +/- 0.79   0.102% *  0.3650% (0.92   0.02   0.02) =   0.001%
        T QB    MET   11 - HA    GLU-  15  11.61 +/- 1.31   0.035% *  0.2871% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    LEU   40  10.87 +/- 0.30   0.032% *  0.2951% (0.75   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    LEU   40  11.79 +/- 1.70   0.016% *  0.3197% (0.81   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LEU   40  13.43 +/- 0.28   0.008% *  0.3134% (0.79   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  15  14.39 +/- 0.75   0.005% *  0.3875% (0.98   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    LEU   40  15.84 +/- 1.42   0.003% *  0.3085% (0.78   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  15  14.27 +/- 0.98   0.007% *  0.0782% (0.20   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASN   35  13.64 +/- 1.66   0.006% *  0.0733% (0.19   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   40  16.86 +/- 0.62   0.002% *  0.1682% (0.43   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ASN   35  15.22 +/- 0.48   0.004% *  0.0677% (0.17   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   40  20.04 +/- 0.70   0.001% *  0.2773% (0.70   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASN   35  12.13 +/- 0.24   0.015% *  0.0145% (0.04   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASN   35  16.51 +/- 1.42   0.003% *  0.0707% (0.18   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   40  15.92 +/- 0.40   0.003% *  0.0633% (0.16   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    LEU   40  20.92 +/- 2.32   0.001% *  0.2322% (0.59   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  15  21.35 +/- 0.76   0.001% *  0.2080% (0.53   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  15  23.57 +/- 1.19   0.000% *  0.3429% (0.87   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ASN   35  17.99 +/- 0.48   0.001% *  0.0718% (0.18   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASN   35  21.08 +/- 3.32   0.001% *  0.0532% (0.13   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASN   35  21.36 +/- 0.82   0.001% *  0.0636% (0.16   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASN   35  23.81 +/- 0.49   0.000% *  0.0386% (0.10   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   40  24.58 +/- 0.37   0.000% *  0.0433% (0.11   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  15  27.74 +/- 0.96   0.000% *  0.0535% (0.14   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASN   35  28.53 +/- 0.57   0.000% *  0.0099% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 52 (2.01, 4.41, 56.54 ppm):
    36 chemical-shift based assignments, quality = 1.0, support = 3.12, residual support = 10.4:
    * O T QB    GLU-  15 - HA    GLU-  15   2.40 +/- 0.16  98.482% * 91.8624% (1.00   3.12  10.42) =  99.996%  kept
        T HB2   GLN   17 - HA    GLU-  15   6.23 +/- 0.28   0.350% *  0.5897% (1.00   0.02   0.80) =   0.002%
          HB    ILE   19 - HA    GLU-  15   7.35 +/- 0.82   0.143% *  0.3339% (0.57   0.02   0.02) =   0.001%
        T HB3   PRO   68 - HA    GLU-  15   7.97 +/- 0.53   0.091% *  0.4722% (0.80   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ASN   35   5.93 +/- 0.85   0.732% *  0.0243% (0.04   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU   40   8.10 +/- 0.42   0.072% *  0.1062% (0.18   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  15  10.13 +/- 0.55   0.021% *  0.2870% (0.49   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HA    LEU   40  11.89 +/- 1.35   0.008% *  0.4769% (0.81   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU-  15  10.68 +/- 1.28   0.015% *  0.2424% (0.41   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU   40  12.18 +/- 0.40   0.006% *  0.2700% (0.46   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLU-  15  11.29 +/- 0.89   0.011% *  0.1033% (0.18   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HA    LEU   40  13.86 +/- 0.25   0.003% *  0.3819% (0.65   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU   40  11.04 +/- 0.79   0.013% *  0.0835% (0.14   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU   40  12.81 +/- 0.77   0.005% *  0.1961% (0.33   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU   40  14.09 +/- 0.26   0.003% *  0.2321% (0.39   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ASN   35   9.66 +/- 0.51   0.027% *  0.0191% (0.03   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HA    LEU   40  16.35 +/- 0.34   0.001% *  0.4769% (0.81   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ASN   35  11.71 +/- 0.28   0.008% *  0.0449% (0.08   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    LEU   40  16.26 +/- 0.36   0.001% *  0.3085% (0.52   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ASN   35  13.97 +/- 1.26   0.003% *  0.1093% (0.19   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU-  15  19.06 +/- 1.35   0.000% *  0.5578% (0.95   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ASN   35  13.78 +/- 0.35   0.003% *  0.0619% (0.10   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU   40  20.61 +/- 0.62   0.000% *  0.4511% (0.76   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LEU   40  21.04 +/- 0.31   0.000% *  0.4727% (0.80   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ASN   35  17.21 +/- 0.61   0.001% *  0.1034% (0.18   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LEU   40  17.57 +/- 0.29   0.001% *  0.0835% (0.14   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  15  23.13 +/- 0.66   0.000% *  0.3815% (0.65   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLU-  15  20.10 +/- 1.28   0.000% *  0.1313% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ASN   35  19.01 +/- 0.56   0.000% *  0.0875% (0.15   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ASN   35  19.77 +/- 0.42   0.000% *  0.1093% (0.19   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  15  27.56 +/- 0.73   0.000% *  0.5845% (0.99   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ASN   35  19.75 +/- 0.54   0.000% *  0.0532% (0.09   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU-  15  22.44 +/- 0.55   0.000% *  0.1033% (0.18   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ASN   35  21.31 +/- 0.43   0.000% *  0.0707% (0.12   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ASN   35  26.63 +/- 0.42   0.000% *  0.1084% (0.18   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ASN   35  24.71 +/- 0.26   0.000% *  0.0191% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.991, support = 2.18, residual support = 9.84:
    * O T HA    GLU-  15 - QG    GLU-  15   2.60 +/- 0.56  86.242% * 44.0829% (1.00   2.14  10.42) =  93.314%  kept
        T HA    GLU-  15 - QG    GLU-  14   4.66 +/- 0.69   5.297% * 50.8599% (0.88   2.80   1.71) =   6.612%  kept
          HA    SER   13 - QG    GLU-  15   6.20 +/- 1.42   4.725% *  0.4122% (1.00   0.02   0.02) =   0.048%
          HA    SER   13 - QG    GLU-  14   5.20 +/- 0.57   2.381% *  0.3626% (0.88   0.02   6.63) =   0.021%
          HA    GLN   17 - QG    GLU-  15   6.98 +/- 0.45   0.345% *  0.2334% (0.57   0.02   0.80) =   0.002%
          HA    SER   13 - QB    MET   11   6.38 +/- 0.62   0.759% *  0.0994% (0.24   0.02   0.02) =   0.002%
          HA    GLN   17 - QG    GLU-  14   8.53 +/- 0.92   0.134% *  0.2053% (0.50   0.02   0.02) =   0.001%
          HA    SER   37 - QG    GLU-  15  10.67 +/- 1.49   0.029% *  0.2334% (0.57   0.02   0.02) =   0.000%
        T HA    LEU   40 - QG    GLU-  15  11.79 +/- 1.70   0.013% *  0.3899% (0.95   0.02   0.02) =   0.000%
        T HA    GLU-  15 - QB    MET   11  11.61 +/- 1.31   0.029% *  0.0994% (0.24   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLU-  14  13.65 +/- 1.56   0.008% *  0.2053% (0.50   0.02   0.02) =   0.000%
        T HA    LEU   40 - QG    GLU-  14  15.84 +/- 1.42   0.003% *  0.3430% (0.83   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  15  17.44 +/- 0.68   0.001% *  0.4113% (1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  15  13.64 +/- 1.66   0.005% *  0.0918% (0.22   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    MET   11  15.04 +/- 2.00   0.007% *  0.0563% (0.14   0.02   0.02) =   0.000%
          HA    SER   37 - QB    MET   11  16.70 +/- 3.51   0.006% *  0.0563% (0.14   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  14  19.29 +/- 1.08   0.001% *  0.3618% (0.88   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  15  13.85 +/- 1.75   0.005% *  0.0558% (0.14   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  15  17.92 +/- 1.34   0.002% *  0.1406% (0.34   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  14  16.51 +/- 1.42   0.002% *  0.0807% (0.20   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  15  19.63 +/- 1.08   0.001% *  0.2666% (0.65   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  14  20.63 +/- 1.20   0.001% *  0.2346% (0.57   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  14  17.65 +/- 1.51   0.001% *  0.0491% (0.12   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    MET   11  20.92 +/- 2.32   0.001% *  0.0940% (0.23   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  15  20.25 +/- 0.82   0.001% *  0.1028% (0.25   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  14  22.15 +/- 1.27   0.000% *  0.1237% (0.30   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  14  22.40 +/- 1.09   0.000% *  0.0904% (0.22   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    MET   11  25.06 +/- 2.65   0.000% *  0.0991% (0.24   0.02   0.02) =   0.000%
        T HA    ASN   35 - QB    MET   11  21.08 +/- 3.32   0.001% *  0.0221% (0.05   0.02   0.02) =   0.000%
          HA    THR   46 - QB    MET   11  27.80 +/- 3.31   0.000% *  0.0643% (0.16   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    MET   11  22.63 +/- 2.59   0.000% *  0.0134% (0.03   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    MET   11  25.82 +/- 1.82   0.000% *  0.0339% (0.08   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    MET   11  28.68 +/- 2.58   0.000% *  0.0248% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 55 (2.27, 2.27, 36.40 ppm):
    3 diagonal assignments:
    *     QG    GLU-  15 - QG    GLU-  15  (1.00)  kept
          QG    GLU-  14 - QG    GLU-  14  (0.85)  kept
          QB    MET   11 - QB    MET   11  (0.18)  kept
 
    Peak 59 (4.04, 4.04, 45.84 ppm):
    1 diagonal assignment:
    *     HA1   GLY   16 - HA1   GLY   16  (1.00)  kept
 
    Peak 60 (4.42, 4.42, 54.38 ppm):
    1 diagonal assignment:
    *     HA    GLN   17 - HA    GLN   17  (1.00)  kept
 
    Peak 61 (2.01, 4.42, 54.38 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.5:
    * O T HB2   GLN   17 - HA    GLN   17   2.53 +/- 0.05  99.063% * 96.8891% (1.00   4.00  83.55) =  99.996%  kept
        T QB    GLU-  15 - HA    GLN   17   6.54 +/- 0.30   0.355% *  0.4844% (1.00   0.02   0.80) =   0.002%
        T HB3   PRO   68 - HA    GLN   17   6.49 +/- 0.43   0.382% *  0.3879% (0.80   0.02   0.02) =   0.002%
          HB    ILE   19 - HA    GLN   17   7.87 +/- 0.24   0.114% *  0.2743% (0.57   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLN   17   8.50 +/- 0.41   0.073% *  0.2358% (0.49   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLN   17  12.71 +/- 0.73   0.007% *  0.1992% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLN   17  13.35 +/- 0.78   0.005% *  0.0848% (0.18   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLN   17  21.00 +/- 0.69   0.000% *  0.4583% (0.95   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLN   17  19.86 +/- 0.37   0.000% *  0.3134% (0.65   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLN   17  23.44 +/- 0.50   0.000% *  0.4802% (0.99   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   17  18.26 +/- 0.38   0.001% *  0.0848% (0.18   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   17  22.31 +/- 0.69   0.000% *  0.1079% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 83.5:
    * O T QG    GLN   17 - HA    GLN   17   2.83 +/- 0.52  99.801% * 97.6147% (0.76   4.31  83.55) =  99.999%  kept
        T HB    VAL   70 - HA    GLN   17   8.78 +/- 0.56   0.187% *  0.4947% (0.84   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    GLN   17  16.09 +/- 0.46   0.005% *  0.5870% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   17  17.14 +/- 1.04   0.003% *  0.3353% (0.57   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   17  20.54 +/- 0.79   0.001% *  0.3831% (0.65   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLN   17  20.49 +/- 0.57   0.001% *  0.3831% (0.65   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   17  18.76 +/- 0.44   0.002% *  0.2020% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 0.206, support = 3.64, residual support = 53.8:
    * O T HA    GLN   17 - HB2   GLN   17   2.53 +/- 0.05  41.533% * 61.8358% (0.24   4.00  83.55) =  59.297%  kept
      O T HA    GLU-  15 - QB    GLU-  15   2.40 +/- 0.16  57.589% * 30.6060% (0.15   3.12  10.42) =  40.696%  kept
        T HA    GLN   17 - HB3   PRO   68   6.49 +/- 0.43   0.161% *  0.7757% (0.61   0.02   0.02) =   0.003%
        T HA    GLN   17 - QB    GLU-  15   6.54 +/- 0.30   0.151% *  0.3470% (0.27   0.02   0.80) =   0.001%
          HA    SER   13 - QB    GLU-  15   6.10 +/- 0.55   0.251% *  0.1965% (0.15   0.02   0.02) =   0.001%
        T HA    GLU-  15 - HB2   GLN   17   6.23 +/- 0.28   0.194% *  0.1750% (0.14   0.02   0.80) =   0.001%
        T HA    GLU-  15 - HB3   PRO   68   7.97 +/- 0.53   0.050% *  0.4392% (0.34   0.02   0.02) =   0.001%
          HA    SER   13 - HB2   GLN   17  11.05 +/- 1.84   0.043% *  0.1750% (0.14   0.02   0.02) =   0.000%
          HA    SER   37 - QB    GLU-  15  10.97 +/- 1.47   0.008% *  0.3470% (0.27   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   68  12.36 +/- 1.25   0.004% *  0.4392% (0.34   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   PRO   68  14.07 +/- 0.19   0.001% *  0.4705% (0.37   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    GLU-  15  11.89 +/- 1.35   0.004% *  0.1302% (0.10   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    GLU-  15  12.91 +/- 0.96   0.003% *  0.2105% (0.16   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   PRO   68  14.52 +/- 0.24   0.001% *  0.4081% (0.32   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   PRO   68  13.86 +/- 0.25   0.002% *  0.2911% (0.23   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   68  16.54 +/- 0.79   0.001% *  0.7757% (0.61   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   GLN   17  13.25 +/- 0.48   0.002% *  0.1627% (0.13   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   17  13.91 +/- 0.24   0.002% *  0.1875% (0.15   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   GLN   17  16.18 +/- 0.50   0.001% *  0.3064% (0.24   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   PRO   68  20.96 +/- 0.43   0.000% *  0.7689% (0.60   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    GLU-  15  17.08 +/- 0.55   0.000% *  0.1826% (0.14   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   GLN   17  18.60 +/- 0.76   0.000% *  0.3092% (0.24   0.02   0.02) =   0.000%
          HA    THR   46 - QB    GLU-  15  19.60 +/- 0.62   0.000% *  0.3440% (0.27   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   GLN   17  16.35 +/- 0.34   0.001% *  0.1160% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 64 (2.01, 2.01, 31.84 ppm):
    3 diagonal assignments:
          HB3   PRO   68 - HB3   PRO   68  (0.49)  kept
          QB    GLU-  15 - QB    GLU-  15  (0.27)  kept
    *     HB2   GLN   17 - HB2   GLN   17  (0.24)  kept
 
    Peak 65 (2.21, 2.01, 31.84 ppm):
    21 chemical-shift based assignments, quality = 0.185, support = 4.31, residual support = 83.5:
    * O T QG    GLN   17 - HB2   GLN   17   2.31 +/- 0.08  96.416% * 88.4947% (0.18   4.31  83.55) =  99.979%  kept
        T QG    GLN   17 - QB    GLU-  15   5.35 +/- 0.91   3.284% *  0.4606% (0.21   0.02   0.80) =   0.018%
        T QG    GLN   17 - HB3   PRO   68   7.10 +/- 0.81   0.152% *  1.0295% (0.46   0.02   0.02) =   0.002%
        T HB    VAL   70 - HB3   PRO   68   7.68 +/- 0.40   0.075% *  1.1252% (0.51   0.02   0.02) =   0.001%
        T HB    VAL   70 - QB    GLU-  15   8.32 +/- 1.06   0.058% *  0.5034% (0.23   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB2   GLN   17  10.87 +/- 0.54   0.009% *  0.4485% (0.20   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   PRO   68  18.45 +/- 0.47   0.000% *  1.3352% (0.60   0.02   0.02) =   0.000%
          HB2   MET   96 - QB    GLU-  15  16.40 +/- 0.98   0.001% *  0.5973% (0.27   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - QB    GLU-  15  15.59 +/- 1.64   0.001% *  0.3899% (0.18   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   GLN   17  16.90 +/- 0.48   0.001% *  0.5322% (0.24   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLN   17  16.04 +/- 1.01   0.001% *  0.3040% (0.14   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB3   PRO   68  18.99 +/- 0.72   0.000% *  0.8715% (0.39   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   PRO   68  18.26 +/- 0.37   0.000% *  0.4595% (0.21   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - QB    GLU-  15  17.90 +/- 0.93   0.000% *  0.3899% (0.18   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB2   GLN   17  19.26 +/- 0.57   0.000% *  0.3473% (0.16   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QB    GLU-  15  19.38 +/- 0.98   0.000% *  0.3412% (0.15   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   PRO   68  22.92 +/- 1.01   0.000% *  0.7627% (0.34   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QB    GLU-  15  18.69 +/- 0.93   0.000% *  0.2056% (0.09   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB3   PRO   68  25.22 +/- 0.55   0.000% *  0.8715% (0.39   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB2   GLN   17  22.03 +/- 0.83   0.000% *  0.3473% (0.16   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLN   17  20.54 +/- 0.43   0.000% *  0.1831% (0.08   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 66 (4.42, 2.21, 33.80 ppm):
    16 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 83.5:
    * O T HA    GLN   17 - QG    GLN   17   2.83 +/- 0.52  75.635% * 97.3877% (0.76   4.31  83.55) =  99.919%  kept
          HA    GLU-  15 - QG    GLN   17   4.44 +/- 1.03  22.739% *  0.2557% (0.43   0.02   0.80) =   0.079%
          HA    SER   13 - QG    GLN   17   8.64 +/- 1.46   0.226% *  0.2557% (0.43   0.02   0.02) =   0.001%
          HA    LEU   40 - HB    VAL   70   6.76 +/- 0.49   0.785% *  0.0347% (0.06   0.02  32.89) =   0.000%
          HA    VAL   42 - HB    VAL   70   6.92 +/- 0.25   0.402% *  0.0561% (0.09   0.02   1.25) =   0.000%
        T HA    GLN   17 - HB    VAL   70   8.78 +/- 0.56   0.105% *  0.0925% (0.16   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   17  13.00 +/- 0.64   0.011% *  0.2739% (0.46   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    VAL   70   9.61 +/- 0.88   0.056% *  0.0524% (0.09   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLN   17  12.81 +/- 1.03   0.008% *  0.2376% (0.40   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLN   17  15.94 +/- 1.27   0.004% *  0.4516% (0.76   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLN   17  15.78 +/- 0.46   0.003% *  0.4476% (0.76   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   70  12.85 +/- 0.79   0.012% *  0.0925% (0.16   0.02   0.02) =   0.000%
          HA    LEU   40 - QG    GLN   17  14.56 +/- 0.77   0.006% *  0.1695% (0.29   0.02   0.02) =   0.000%
          HA    PRO   58 - HB    VAL   70  14.83 +/- 0.48   0.004% *  0.0487% (0.08   0.02   0.02) =   0.000%
          HA    SER   13 - HB    VAL   70  15.71 +/- 1.27   0.003% *  0.0524% (0.09   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   70  17.29 +/- 0.54   0.002% *  0.0917% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 67 (2.01, 2.21, 33.80 ppm):
    24 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 83.5:
    * O T HB2   GLN   17 - QG    GLN   17   2.31 +/- 0.08  96.055% * 96.4483% (0.76   4.31  83.55) =  99.983%  kept
        T QB    GLU-  15 - QG    GLN   17   5.35 +/- 0.91   3.273% *  0.4472% (0.76   0.02   0.80) =   0.016%
          HB    ILE   19 - QG    GLN   17   7.07 +/- 1.35   0.240% *  0.2532% (0.43   0.02   0.02) =   0.001%
        T HB3   PRO   68 - QG    GLN   17   7.10 +/- 0.81   0.152% *  0.3581% (0.61   0.02   0.02) =   0.001%
          HG2   PRO   68 - QG    GLN   17   9.07 +/- 0.86   0.032% *  0.2177% (0.37   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB    VAL   70   7.68 +/- 0.40   0.074% *  0.0734% (0.13   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HB    VAL   70   8.32 +/- 1.06   0.057% *  0.0916% (0.16   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB    VAL   70   8.08 +/- 0.42   0.055% *  0.0446% (0.08   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLN   17  11.10 +/- 1.75   0.013% *  0.1839% (0.31   0.02   0.02) =   0.000%
          HB    ILE   19 - HB    VAL   70   9.70 +/- 0.45   0.019% *  0.0519% (0.09   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HB    VAL   70  10.87 +/- 0.54   0.009% *  0.0916% (0.16   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG    GLN   17  11.98 +/- 1.55   0.007% *  0.0783% (0.13   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLN   17  18.08 +/- 1.82   0.001% *  0.4230% (0.72   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB    VAL   70  12.84 +/- 0.77   0.004% *  0.0377% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB    VAL   70  12.00 +/- 0.92   0.006% *  0.0160% (0.03   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG    GLN   17  19.62 +/- 0.35   0.000% *  0.2893% (0.49   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB    VAL   70  15.82 +/- 0.31   0.001% *  0.0593% (0.10   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG    GLN   17  22.99 +/- 0.49   0.000% *  0.4433% (0.76   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - HB    VAL   70  14.68 +/- 0.80   0.002% *  0.0204% (0.03   0.02   0.02) =   0.000%
          HB    ILE  119 - QG    GLN   17  18.62 +/- 0.75   0.000% *  0.0783% (0.13   0.02   0.02) =   0.000%
          HB    ILE  119 - HB    VAL   70  14.43 +/- 0.34   0.002% *  0.0160% (0.03   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB    VAL   70  19.95 +/- 0.43   0.000% *  0.0908% (0.16   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - QG    GLN   17  20.97 +/- 1.05   0.000% *  0.0996% (0.17   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HB    VAL   70  21.78 +/- 0.57   0.000% *  0.0867% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.79 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 = 3.59, residual support = 78.0:
    * O T HB    VAL   18 - HA    VAL   18   2.69 +/- 0.34  99.808% * 98.2754% (1.00   3.59  77.97) =  99.999%  kept
          HB2   LEU   67 - HA    VAL   18   7.99 +/- 0.31   0.170% *  0.4914% (0.90   0.02   0.02) =   0.001%
          HB2   LEU   40 - HA    VAL   18  11.91 +/- 0.67   0.017% *  0.1869% (0.34   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    VAL   18  16.49 +/- 0.28   0.002% *  0.2667% (0.49   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    VAL   18  18.97 +/- 0.39   0.001% *  0.4914% (0.90   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    VAL   18  17.53 +/- 0.52   0.002% *  0.2883% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 4.15, residual support = 78.0:
    * O T QG1   VAL   18 - HA    VAL   18   2.58 +/- 0.06  98.643% * 98.0994% (1.00   4.15  77.97) =  99.994%  kept
          QD1   LEU   71 - HA    VAL   18   6.18 +/- 0.74   1.220% *  0.3947% (0.84   0.02   0.02) =   0.005%
        T QG1   VAL   70 - HA    VAL   18   8.37 +/- 0.28   0.087% *  0.4632% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    VAL   18   9.45 +/- 0.87   0.046% *  0.3246% (0.69   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   18  14.60 +/- 0.51   0.003% *  0.3947% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   18  16.92 +/- 0.38   0.001% *  0.2300% (0.49   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    VAL   18  18.04 +/- 0.55   0.001% *  0.0935% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 72 (0.75, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 78.0:
    * O T QG2   VAL   18 - HA    VAL   18   2.64 +/- 0.49  98.113% * 98.0252% (1.00   4.15  77.97) =  99.993%  kept
          QD1   ILE   19 - HA    VAL   18   5.74 +/- 0.26   1.491% *  0.3429% (0.73   0.02  22.00) =   0.005%
          QG1   VAL   43 - HA    VAL   18   7.70 +/- 0.77   0.266% *  0.4359% (0.92   0.02   0.02) =   0.001%
          QG2   THR   46 - HA    VAL   18  10.00 +/- 0.63   0.052% *  0.4628% (0.98   0.02   0.02) =   0.000%
        T QG1   VAL   41 - HA    VAL   18   9.89 +/- 0.28   0.060% *  0.3608% (0.76   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   18  13.07 +/- 0.91   0.015% *  0.1051% (0.22   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   18  15.29 +/- 0.53   0.004% *  0.2673% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 73 (4.00, 1.96, 32.56 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.59, residual support = 78.0:
    * O T HA    VAL   18 - HB    VAL   18   2.69 +/- 0.34  99.962% * 96.6339% (1.00   3.59  77.97) = 100.000%  kept
          HA    VAL   70 - HB    VAL   18  10.61 +/- 1.05   0.026% *  0.3701% (0.69   0.02   0.02) =   0.000%
          HA    SER   48 - HB    VAL   18  16.39 +/- 0.64   0.003% *  0.3912% (0.73   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   18  17.13 +/- 0.80   0.002% *  0.5096% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   18  17.46 +/- 0.61   0.002% *  0.5376% (1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   18  18.05 +/- 0.83   0.001% *  0.3701% (0.69   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB    VAL   18  16.56 +/- 0.41   0.002% *  0.1498% (0.28   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    VAL   18  21.57 +/- 0.74   0.000% *  0.5340% (0.99   0.02   0.02) =   0.000%
          HA    GLN   32 - HB    VAL   18  18.66 +/- 0.97   0.001% *  0.2415% (0.45   0.02   0.02) =   0.000%
          HA    ALA   88 - HB    VAL   18  21.67 +/- 0.50   0.000% *  0.2622% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 74 (1.96, 1.96, 32.56 ppm):
    1 diagonal assignment:
    *     HB    VAL   18 - HB    VAL   18  (1.00)  kept
 
    Peak 75 (0.86, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 78.0:
    * O T QG1   VAL   18 - HB    VAL   18   2.13 +/- 0.01  99.904% * 97.7143% (1.00   3.44  77.97) = 100.000%  kept
          QD1   LEU   71 - HB    VAL   18   8.25 +/- 0.88   0.054% *  0.4746% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB    VAL   18   9.10 +/- 1.28   0.025% *  0.3903% (0.69   0.02   0.02) =   0.000%
          QG1   VAL   70 - HB    VAL   18   9.54 +/- 0.90   0.015% *  0.5570% (0.98   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB    VAL   18  14.26 +/- 0.92   0.001% *  0.4746% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   18  17.94 +/- 1.09   0.000% *  0.2766% (0.49   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB    VAL   18  17.43 +/- 0.58   0.000% *  0.1125% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 76 (0.75, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.23, residual support = 78.0:
    * O T QG2   VAL   18 - HB    VAL   18   2.11 +/- 0.01  99.885% * 97.4770% (1.00   3.23  77.97) =  99.999%  kept
          QD1   ILE   19 - HB    VAL   18   7.35 +/- 0.18   0.057% *  0.4380% (0.73   0.02  22.00) =   0.000%
          QG1   VAL   43 - HB    VAL   18   8.46 +/- 0.80   0.029% *  0.5568% (0.92   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   18   8.78 +/- 0.67   0.022% *  0.5913% (0.98   0.02   0.02) =   0.000%
        T QG1   VAL   41 - HB    VAL   18  11.50 +/- 0.86   0.004% *  0.4610% (0.76   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   18  16.37 +/- 1.08   0.001% *  0.3415% (0.57   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    VAL   18  14.73 +/- 1.31   0.001% *  0.1343% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 77 (4.00, 0.86, 22.91 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 78.0:
    * O T HA    VAL   18 - QG1   VAL   18   2.58 +/- 0.06  99.916% * 97.0785% (1.00   4.15  77.97) = 100.000%  kept
        T HA    VAL   70 - QG1   VAL   18   9.20 +/- 0.41   0.050% *  0.3212% (0.69   0.02   0.02) =   0.000%
        T HA    SER   48 - QG1   VAL   18  12.28 +/- 0.40   0.009% *  0.3395% (0.73   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   18  13.23 +/- 0.41   0.006% *  0.4666% (1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   18  13.56 +/- 0.49   0.005% *  0.4423% (0.95   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   18  16.04 +/- 0.63   0.002% *  0.4635% (0.99   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   18  12.96 +/- 0.28   0.006% *  0.1300% (0.28   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   18  15.46 +/- 0.38   0.002% *  0.3212% (0.69   0.02   0.02) =   0.000%
          HA    GLN   32 - QG1   VAL   18  14.47 +/- 0.59   0.003% *  0.2096% (0.45   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   18  16.43 +/- 0.25   0.002% *  0.2276% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 78 (1.96, 0.86, 22.91 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 78.0:
    * O T HB    VAL   18 - QG1   VAL   18   2.13 +/- 0.01  99.957% * 98.2024% (1.00   3.44  77.97) = 100.000%  kept
          HB2   LEU   67 - QG1   VAL   18   8.22 +/- 0.45   0.033% *  0.5122% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG1   VAL   18  11.40 +/- 0.70   0.005% *  0.1948% (0.34   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   18  13.73 +/- 0.35   0.001% *  0.5122% (0.90   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   18  12.56 +/- 0.29   0.002% *  0.2780% (0.49   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   18  13.58 +/- 0.47   0.002% *  0.3005% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 79 (0.86, 0.86, 22.91 ppm):
    1 diagonal assignment:
    *     QG1   VAL   18 - QG1   VAL   18  (1.00)  kept
 
    Peak 80 (0.75, 0.86, 22.91 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 78.0:
    * O T QG2   VAL   18 - QG1   VAL   18   2.06 +/- 0.03  99.298% * 97.9516% (1.00   4.00  77.97) =  99.997%  kept
          QD1   ILE   19 - QG1   VAL   18   5.48 +/- 0.07   0.284% *  0.3556% (0.73   0.02  22.00) =   0.001%
          QG1   VAL   43 - QG1   VAL   18   5.86 +/- 0.55   0.222% *  0.4521% (0.92   0.02   0.02) =   0.001%
          QG2   THR   46 - QG1   VAL   18   6.12 +/- 0.50   0.173% *  0.4801% (0.98   0.02   0.02) =   0.001%
        T QG1   VAL   41 - QG1   VAL   18   8.94 +/- 0.40   0.016% *  0.3743% (0.76   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   VAL   18  10.78 +/- 0.90   0.006% *  0.1090% (0.22   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QG1   VAL   18  13.37 +/- 0.52   0.001% *  0.2773% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (4.00, 0.75, 22.78 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 78.0:
    * O T HA    VAL   18 - QG2   VAL   18   2.64 +/- 0.49  97.584% * 94.1497% (1.00   4.15  77.97) =  99.994%  kept
          HA    VAL   70 - QG1   VAL   41   6.13 +/- 0.22   0.989% *  0.2381% (0.52   0.02   2.72) =   0.003%
          HA    LYS+  33 - QG1   VAL   41   7.25 +/- 0.13   0.364% *  0.3278% (0.72   0.02   0.02) =   0.001%
          HA    GLN   32 - QG1   VAL   41   6.64 +/- 0.32   0.705% *  0.1554% (0.34   0.02   0.02) =   0.001%
          HA    GLU-  29 - QG1   VAL   41   9.29 +/- 0.25   0.085% *  0.3458% (0.76   0.02   0.02) =   0.000%
          HA    VAL   70 - QG2   VAL   18   8.87 +/- 0.79   0.074% *  0.3115% (0.69   0.02   0.02) =   0.000%
        T HA    VAL   18 - QG1   VAL   41   9.89 +/- 0.28   0.059% *  0.3466% (0.76   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   VAL   18  13.51 +/- 0.59   0.010% *  0.3293% (0.73   0.02   0.02) =   0.000%
          HA    VAL   70 - QD2   LEU  104   9.99 +/- 0.67   0.058% *  0.0479% (0.11   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   18  14.99 +/- 0.24   0.004% *  0.4525% (1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   18  14.65 +/- 0.49   0.005% *  0.4290% (0.95   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   18  14.48 +/- 0.76   0.004% *  0.3115% (0.69   0.02   0.02) =   0.000%
          HB2   SER   82 - QG1   VAL   41  15.65 +/- 0.83   0.003% *  0.3435% (0.76   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   VAL   18  13.41 +/- 0.33   0.009% *  0.1261% (0.28   0.02   0.02) =   0.000%
          HB2   SER   82 - QG2   VAL   18  18.15 +/- 0.71   0.001% *  0.4495% (0.99   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   41  15.50 +/- 0.29   0.004% *  0.1687% (0.37   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   VAL   18  15.90 +/- 0.47   0.003% *  0.2033% (0.45   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD2   LEU  104  13.91 +/- 0.58   0.007% *  0.0659% (0.15   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   41  17.57 +/- 0.23   0.002% *  0.2381% (0.52   0.02   0.02) =   0.000%
          HA    GLN   32 - QD2   LEU  104  12.99 +/- 0.62   0.012% *  0.0312% (0.07   0.02   0.02) =   0.000%
        T HA    VAL   18 - QD2   LEU  104  15.29 +/- 0.53   0.004% *  0.0697% (0.15   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   VAL   18  17.97 +/- 0.64   0.001% *  0.2207% (0.49   0.02   0.02) =   0.000%
          HA    SER   48 - QG1   VAL   41  19.55 +/- 0.28   0.001% *  0.2517% (0.55   0.02   0.02) =   0.000%
          HA    GLN  116 - QD2   LEU  104  15.19 +/- 0.42   0.004% *  0.0479% (0.11   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD2   LEU  104  16.62 +/- 0.67   0.003% *  0.0695% (0.15   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   41  20.06 +/- 0.23   0.001% *  0.0964% (0.21   0.02   0.02) =   0.000%
          HA    ALA   88 - QD2   LEU  104  17.05 +/- 0.59   0.002% *  0.0339% (0.07   0.02   0.02) =   0.000%
          HB2   SER   82 - QD2   LEU  104  20.55 +/- 1.06   0.001% *  0.0691% (0.15   0.02   0.02) =   0.000%
          HA    SER   48 - QD2   LEU  104  23.55 +/- 0.49   0.000% *  0.0506% (0.11   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD2   LEU  104  22.22 +/- 0.31   0.000% *  0.0194% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 82 (1.96, 0.75, 22.78 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 3.23, residual support = 78.0:
    * O T HB    VAL   18 - QG2   VAL   18   2.11 +/- 0.01  99.185% * 95.8738% (1.00   3.23  77.97) =  99.999%  kept
          HB2   LEU   40 - QG1   VAL   41   5.27 +/- 0.09   0.416% *  0.1547% (0.26   0.02  18.47) =   0.001%
          HB2   LEU   67 - QG2   VAL   18   7.03 +/- 0.76   0.092% *  0.5321% (0.90   0.02   0.02) =   0.001%
          HB2   LEU   40 - QD2   LEU  104   6.56 +/- 1.08   0.269% *  0.0311% (0.05   0.02   0.02) =   0.000%
          HB2   LEU   67 - QG1   VAL   41   9.25 +/- 0.38   0.015% *  0.4066% (0.69   0.02   0.02) =   0.000%
        T HB    VAL   18 - QG1   VAL   41  11.50 +/- 0.86   0.004% *  0.4534% (0.76   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG2   VAL   18  11.38 +/- 0.25   0.004% *  0.2888% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG2   VAL   18  11.26 +/- 1.04   0.005% *  0.2024% (0.34   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG2   VAL   18  13.44 +/- 0.22   0.002% *  0.5321% (0.90   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG2   VAL   18  13.16 +/- 0.82   0.002% *  0.3121% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD2   LEU  104  11.27 +/- 0.74   0.005% *  0.0818% (0.14   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   41  16.12 +/- 0.29   0.001% *  0.2386% (0.40   0.02   0.02) =   0.000%
        T HB    VAL   18 - QD2   LEU  104  16.37 +/- 1.08   0.001% *  0.0912% (0.15   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU  104  14.73 +/- 0.43   0.001% *  0.0480% (0.08   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   41  22.02 +/- 0.31   0.000% *  0.4066% (0.69   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   41  20.09 +/- 0.26   0.000% *  0.2207% (0.37   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU  104  21.03 +/- 0.51   0.000% *  0.0444% (0.07   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  104  23.82 +/- 0.35   0.000% *  0.0818% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 0.974, support = 3.89, residual support = 75.9:
    * O T QG1   VAL   18 - QG2   VAL   18   2.06 +/- 0.03  78.298% * 87.4797% (1.00   4.00  77.97) =  97.362%  kept
      O T HB3   LEU  104 - QD2   LEU  104   2.63 +/- 0.26  21.127% *  8.7773% (0.07   5.37 218.62) =   2.636%
          QD1   LEU   71 - QG1   VAL   41   5.60 +/- 0.34   0.211% *  0.2792% (0.64   0.02   0.02) =   0.001%
          QG1   VAL   70 - QG1   VAL   41   6.14 +/- 0.22   0.115% *  0.3277% (0.75   0.02   2.72) =   0.001%
          HB3   LEU   63 - QG2   VAL   18   7.13 +/- 0.99   0.068% *  0.3005% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG2   VAL   18   7.22 +/- 0.60   0.053% *  0.3653% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   7.84 +/- 0.82   0.034% *  0.4287% (0.98   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QG1   VAL   41   8.94 +/- 0.40   0.012% *  0.3343% (0.76   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG1   VAL   41   7.93 +/- 0.31   0.025% *  0.1627% (0.37   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD2   LEU  104   7.54 +/- 0.67   0.038% *  0.0659% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  11.46 +/- 0.65   0.003% *  0.3653% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  10.96 +/- 0.79   0.004% *  0.2296% (0.52   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  13.69 +/- 0.31   0.001% *  0.2792% (0.64   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104  11.47 +/- 0.48   0.003% *  0.0561% (0.13   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  14.77 +/- 1.13   0.001% *  0.2129% (0.49   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  11.79 +/- 0.62   0.002% *  0.0561% (0.13   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  11.88 +/- 0.73   0.002% *  0.0462% (0.11   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  13.37 +/- 0.52   0.001% *  0.0672% (0.15   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG2   VAL   18  14.24 +/- 0.73   0.001% *  0.0866% (0.20   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG1   VAL   41  13.98 +/- 0.58   0.001% *  0.0662% (0.15   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU  104  13.01 +/- 0.28   0.001% *  0.0133% (0.03   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 = 170.0:
    * O T HB    ILE   19 - HA    ILE   19   2.95 +/- 0.04  97.635% * 98.1651% (1.00   5.75 169.98) =  99.995%  kept
          HB2   GLN   17 - HA    ILE   19   5.61 +/- 0.17   2.113% *  0.1933% (0.57   0.02   0.02) =   0.004%
          QB    GLU-  15 - HA    ILE   19   8.30 +/- 0.47   0.217% *  0.1933% (0.57   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ILE   19  14.61 +/- 0.34   0.007% *  0.3384% (0.99   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HA    ILE   19  14.25 +/- 0.65   0.008% *  0.2609% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ILE   19  12.54 +/- 0.36   0.017% *  0.0760% (0.22   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ILE   19  20.98 +/- 0.21   0.001% *  0.3384% (0.99   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    ILE   19  19.58 +/- 0.36   0.001% *  0.1404% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    ILE   19  21.03 +/- 0.53   0.001% *  0.1281% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE   19  24.67 +/- 0.31   0.000% *  0.1662% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 87 (1.42, 4.18, 60.49 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 170.0:
    * O T HG12  ILE   19 - HA    ILE   19   2.84 +/- 0.65  96.715% * 97.8530% (1.00   6.31 169.98) =  99.995%  kept
          HB3   LYS+  74 - HA    ILE   19   6.07 +/- 0.23   1.860% *  0.1755% (0.57   0.02   8.34) =   0.003%
        T HG    LEU   73 - HA    ILE   19   7.13 +/- 1.05   1.290% *  0.1057% (0.34   0.02   5.32) =   0.001%
          QB    ALA   61 - HA    ILE   19  10.66 +/- 0.33   0.061% *  0.2689% (0.87   0.02   0.02) =   0.000%
        T HG    LEU   80 - HA    ILE   19  13.06 +/- 1.06   0.017% *  0.3038% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ILE   19  12.65 +/- 0.51   0.023% *  0.2251% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ILE   19  14.09 +/- 0.87   0.011% *  0.2369% (0.76   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ILE   19  15.06 +/- 0.43   0.008% *  0.1631% (0.53   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    ILE   19  17.42 +/- 0.27   0.003% *  0.3072% (0.99   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ILE   19  14.37 +/- 0.46   0.010% *  0.0957% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ILE   19  21.57 +/- 0.68   0.001% *  0.1880% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ILE   19  23.04 +/- 0.85   0.001% *  0.0773% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 88 (1.25, 4.18, 60.49 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 170.0:
    * O T HG13  ILE   19 - HA    ILE   19   2.59 +/- 0.62  97.741% * 97.9400% (1.00   5.75 169.98) =  99.993%  kept
        T HG    LEU   71 - HA    ILE   19   5.91 +/- 0.64   1.928% *  0.3055% (0.90   0.02   0.02) =   0.006%
          HG2   LYS+  74 - HA    ILE   19   8.07 +/- 0.38   0.208% *  0.3144% (0.92   0.02   8.34) =   0.001%
          QG2   THR   39 - HA    ILE   19  10.46 +/- 0.38   0.049% *  0.2845% (0.84   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   19   9.88 +/- 0.28   0.060% *  0.0758% (0.22   0.02   0.02) =   0.000%
        T QG2   ILE   56 - HA    ILE   19  13.59 +/- 0.21   0.009% *  0.1278% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE   19  18.52 +/- 1.31   0.002% *  0.3222% (0.95   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ILE   19  19.22 +/- 0.30   0.001% *  0.2845% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE   19  19.95 +/- 0.69   0.001% *  0.1928% (0.57   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    ILE   19  18.14 +/- 0.27   0.002% *  0.0849% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   19  25.00 +/- 0.24   0.000% *  0.0674% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 89 (0.74, 4.18, 60.49 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.71, residual support = 169.9:
    *   T QD1   ILE   19 - HA    ILE   19   3.06 +/- 0.12  94.716% * 98.5288% (1.00   4.71 169.98) =  99.983%  kept
          QG2   VAL   18 - HA    ILE   19   5.17 +/- 0.46   4.952% *  0.3035% (0.73   0.02  22.00) =   0.016%
          QG1   VAL   43 - HA    ILE   19   8.79 +/- 0.87   0.203% *  0.2035% (0.49   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    ILE   19  10.25 +/- 0.45   0.072% *  0.3491% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    ILE   19  11.01 +/- 0.34   0.046% *  0.1290% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    ILE   19  17.55 +/- 0.53   0.003% *  0.4034% (0.97   0.02   0.02) =   0.000%
          QD1   LEU   98 - HA    ILE   19  14.70 +/- 0.84   0.009% *  0.0827% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 1 structures by 0.01 A, kept.
 
    Peak 90 (4.18, 2.00, 37.78 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 170.0:
    * O T HA    ILE   19 - HB    ILE   19   2.95 +/- 0.04  99.869% * 99.1570% (1.00   5.75 169.98) = 100.000%  kept
          HA    THR   26 - HB    ILE   19   9.29 +/- 0.64   0.115% *  0.0860% (0.25   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HB    ILE   19  13.29 +/- 0.43   0.012% *  0.3183% (0.92   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    ILE   19  17.37 +/- 0.25   0.002% *  0.3093% (0.90   0.02   0.02) =   0.000%
        T HA    SER   82 - HB    ILE   19  19.37 +/- 0.62   0.001% *  0.1294% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 91 (2.00, 2.00, 37.78 ppm):
    1 diagonal assignment:
    *     HB    ILE   19 - HB    ILE   19  (1.00)  kept
 
    Peak 92 (1.42, 2.00, 37.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 170.0:
    * O T HG12  ILE   19 - HB    ILE   19   2.51 +/- 0.32  91.630% * 97.4556% (1.00   5.31 169.98) =  99.988%  kept
        T HG    LEU   73 - HB    ILE   19   4.47 +/- 0.93   7.991% *  0.1253% (0.34   0.02   5.32) =   0.011%
          HB3   LYS+  74 - HB    ILE   19   6.65 +/- 0.25   0.317% *  0.2080% (0.57   0.02   8.34) =   0.001%
          QB    ALA   61 - HB    ILE   19  11.33 +/- 0.27   0.014% *  0.3186% (0.87   0.02   0.02) =   0.000%
        T HG    LEU   80 - HB    ILE   19  12.12 +/- 0.96   0.011% *  0.3600% (0.98   0.02   0.02) =   0.000%
        T HB3   LEU   67 - HB    ILE   19  11.28 +/- 0.50   0.014% *  0.2667% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB    ILE   19  13.05 +/- 0.80   0.006% *  0.2807% (0.76   0.02   0.02) =   0.000%
          QB    LEU   98 - HB    ILE   19  11.81 +/- 0.47   0.011% *  0.1134% (0.31   0.02   0.02) =   0.000%
          QG    LYS+  66 - HB    ILE   19  14.74 +/- 0.37   0.003% *  0.1933% (0.53   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    ILE   19  17.08 +/- 0.27   0.001% *  0.3641% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB    ILE   19  19.57 +/- 0.72   0.001% *  0.2228% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB    ILE   19  20.16 +/- 0.83   0.000% *  0.0916% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 5.0, residual support = 169.9:
    * O T HG13  ILE   19 - HB    ILE   19   2.59 +/- 0.30  85.460% * 97.6380% (1.00   5.00 169.98) =  99.940%  kept
        T HG    LEU   71 - HB    ILE   19   3.84 +/- 0.76  14.187% *  0.3503% (0.90   0.02   0.02) =   0.060%
        T HG2   LYS+  74 - HB    ILE   19   8.30 +/- 0.30   0.092% *  0.3605% (0.92   0.02   8.34) =   0.000%
          QG2   THR   39 - HB    ILE   19   8.60 +/- 0.39   0.072% *  0.3262% (0.84   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   19   7.50 +/- 0.29   0.178% *  0.0870% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB    ILE   19  15.81 +/- 1.28   0.002% *  0.3694% (0.95   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    ILE   19  13.38 +/- 0.17   0.005% *  0.1466% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB    ILE   19  17.38 +/- 0.60   0.001% *  0.2211% (0.57   0.02   0.02) =   0.000%
          QB    ALA   91 - HB    ILE   19  18.55 +/- 0.34   0.001% *  0.3262% (0.84   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    ILE   19  16.49 +/- 0.23   0.001% *  0.0974% (0.25   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB    ILE   19  24.00 +/- 0.24   0.000% *  0.0773% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 94 (0.74, 2.00, 37.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.98, residual support = 170.0:
    * O T QD1   ILE   19 - HB    ILE   19   2.89 +/- 0.20  97.101% * 98.2613% (1.00   3.98 169.98) =  99.990%  kept
          QG2   VAL   18 - HB    ILE   19   5.68 +/- 0.20   1.842% *  0.3587% (0.73   0.02  22.00) =   0.007%
          QG1   VAL   43 - HB    ILE   19   6.78 +/- 1.00   0.831% *  0.2404% (0.49   0.02   0.02) =   0.002%
          QG1   VAL   41 - HB    ILE   19   8.57 +/- 0.35   0.155% *  0.1525% (0.31   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    ILE   19  10.49 +/- 0.41   0.047% *  0.4126% (0.84   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    ILE   19  15.31 +/- 0.55   0.005% *  0.4767% (0.97   0.02   0.02) =   0.000%
          QD1   LEU   98 - HB    ILE   19  12.40 +/- 0.81   0.019% *  0.0978% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 95 (4.18, 1.42, 27.25 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 170.0:
    * O T HA    ILE   19 - HG12  ILE   19   2.84 +/- 0.65  97.355% * 98.4464% (1.00   6.31 169.98) =  99.998%  kept
        T HA    ILE   19 - HG    LEU   73   7.13 +/- 1.05   1.298% *  0.1018% (0.33   0.02   5.32) =   0.001%
          HA    GLU-  25 - HG    LEU   80   8.65 +/- 0.74   0.293% *  0.1181% (0.38   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   80   7.89 +/- 1.08   0.529% *  0.0480% (0.15   0.02   0.18) =   0.000%
          HA    THR   26 - HG12  ILE   19   9.82 +/- 0.81   0.128% *  0.0778% (0.25   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   73   9.09 +/- 1.03   0.190% *  0.0254% (0.08   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   80   9.44 +/- 0.72   0.132% *  0.0319% (0.10   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG12  ILE   19  14.20 +/- 0.66   0.012% *  0.2878% (0.92   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   73  11.91 +/- 0.58   0.031% *  0.0940% (0.30   0.02   0.02) =   0.000%
        T HA    ILE   19 - HG    LEU   80  13.06 +/- 1.06   0.018% *  0.1279% (0.41   0.02   0.02) =   0.000%
          HA    CYS   53 - HG12  ILE   19  19.10 +/- 0.37   0.002% *  0.2797% (0.90   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   73  16.80 +/- 0.32   0.004% *  0.0913% (0.29   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   80  17.57 +/- 1.06   0.003% *  0.1147% (0.37   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   73  16.61 +/- 0.63   0.004% *  0.0382% (0.12   0.02   0.02) =   0.000%
          HA    SER   82 - HG12  ILE   19  21.31 +/- 0.76   0.001% *  0.1170% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 96 (2.00, 1.42, 27.25 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 170.0:
    * O T HB    ILE   19 - HG12  ILE   19   2.51 +/- 0.32  91.131% * 96.3430% (1.00   5.31 169.98) =  99.987%  kept
        T HB    ILE   19 - HG    LEU   73   4.47 +/- 0.93   7.943% *  0.1186% (0.33   0.02   5.32) =   0.011%
          HB2   GLN   17 - HG12  ILE   19   6.67 +/- 0.65   0.488% *  0.2056% (0.57   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG12  ILE   19   6.77 +/- 0.50   0.295% *  0.2056% (0.57   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HG    LEU   80   9.03 +/- 0.88   0.059% *  0.1138% (0.31   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG    LEU   80  12.12 +/- 0.96   0.011% *  0.1489% (0.41   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   73  10.77 +/- 0.92   0.022% *  0.0671% (0.18   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG12  ILE   19  13.84 +/- 0.56   0.004% *  0.3599% (0.99   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE   19  14.13 +/- 1.00   0.005% *  0.2775% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   73  11.22 +/- 0.68   0.014% *  0.0671% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE   19  11.79 +/- 0.54   0.010% *  0.0808% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   73  12.81 +/- 0.90   0.007% *  0.0906% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   73  16.12 +/- 0.45   0.002% *  0.1175% (0.32   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   73  17.38 +/- 0.98   0.001% *  0.1175% (0.32   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG12  ILE   19  21.41 +/- 0.45   0.000% *  0.3599% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   80  17.99 +/- 1.19   0.001% *  0.0843% (0.23   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   73  14.68 +/- 0.38   0.003% *  0.0264% (0.07   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   80  20.09 +/- 0.98   0.000% *  0.1476% (0.41   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   80  18.75 +/- 0.91   0.001% *  0.0843% (0.23   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG12  ILE   19  21.22 +/- 0.51   0.000% *  0.1493% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   73  18.29 +/- 0.87   0.001% *  0.0445% (0.12   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG12  ILE   19  21.82 +/- 0.71   0.000% *  0.1363% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   73  21.17 +/- 0.97   0.000% *  0.0577% (0.16   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   73  20.54 +/- 0.41   0.000% *  0.0488% (0.13   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE   19  25.46 +/- 0.54   0.000% *  0.1767% (0.49   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   80  25.46 +/- 1.11   0.000% *  0.1476% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   80  21.90 +/- 1.12   0.000% *  0.0559% (0.15   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   80  23.24 +/- 1.07   0.000% *  0.0725% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   80  24.05 +/- 1.09   0.000% *  0.0612% (0.17   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   80  23.89 +/- 1.13   0.000% *  0.0332% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 97 (1.42, 1.42, 27.25 ppm):
    3 diagonal assignments:
    *     HG12  ILE   19 - HG12  ILE   19  (1.00)  kept
          HG    LEU   80 - HG    LEU   80  (0.40)  kept
          HG    LEU   73 - HG    LEU   73  (0.11)  kept
 
    Peak 98 (1.25, 1.42, 27.25 ppm):
    33 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 170.0:
    * O T HG13  ILE   19 - HG12  ILE   19   1.75 +/- 0.00  95.824% * 95.9357% (1.00   5.31 169.98) =  99.986%  kept
        T HG    LEU   71 - HG12  ILE   19   3.63 +/- 0.90   3.881% *  0.3243% (0.90   0.02   0.02) =   0.014%
        T HG    LEU   71 - HG    LEU   73   5.84 +/- 0.71   0.096% *  0.1059% (0.29   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HG    LEU   73   6.72 +/- 1.09   0.055% *  0.1181% (0.33   0.02   5.32) =   0.000%
          QG2   THR   39 - HG12  ILE   19   8.55 +/- 0.77   0.008% *  0.3020% (0.84   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   73   5.72 +/- 0.51   0.091% *  0.0263% (0.07   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   73   8.29 +/- 0.77   0.010% *  0.0986% (0.27   0.02   0.02) =   0.000%
          QB    ALA   34 - HG12  ILE   19   8.09 +/- 0.90   0.012% *  0.0805% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG12  ILE   19  10.11 +/- 0.37   0.003% *  0.3338% (0.92   0.02   8.34) =   0.000%
          HG2   LYS+  74 - HG    LEU   73   8.61 +/- 0.31   0.007% *  0.1090% (0.30   0.02  45.28) =   0.000%
          HG2   LYS+  74 - HG    LEU   80  10.29 +/- 1.21   0.003% *  0.1369% (0.38   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   80   9.99 +/- 0.98   0.003% *  0.0370% (0.10   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   73  13.26 +/- 1.61   0.001% *  0.1117% (0.31   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   80  13.08 +/- 0.74   0.001% *  0.1239% (0.34   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HG    LEU   80  14.07 +/- 1.09   0.000% *  0.1483% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG12  ILE   19  16.61 +/- 1.62   0.000% *  0.3420% (0.95   0.02   0.02) =   0.000%
        T HG    LEU   71 - HG    LEU   80  15.06 +/- 1.15   0.000% *  0.1330% (0.37   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG12  ILE   19  14.86 +/- 0.28   0.000% *  0.1357% (0.38   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   73  12.64 +/- 0.38   0.001% *  0.0443% (0.12   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   80  12.68 +/- 0.71   0.001% *  0.0330% (0.09   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG12  ILE   19  17.47 +/- 1.04   0.000% *  0.2047% (0.57   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   80  14.40 +/- 0.88   0.000% *  0.0557% (0.15   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   80  16.52 +/- 0.85   0.000% *  0.1239% (0.34   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   73  13.01 +/- 0.74   0.001% *  0.0294% (0.08   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   73  16.43 +/- 0.69   0.000% *  0.0986% (0.27   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   73  15.67 +/- 0.74   0.000% *  0.0669% (0.18   0.02   0.02) =   0.000%
          QB    ALA   91 - HG12  ILE   19  20.40 +/- 0.30   0.000% *  0.3020% (0.84   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG12  ILE   19  18.79 +/- 0.39   0.000% *  0.0902% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   80  21.56 +/- 1.40   0.000% *  0.1403% (0.39   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   80  23.52 +/- 1.13   0.000% *  0.0840% (0.23   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   80  22.57 +/- 1.17   0.000% *  0.0294% (0.08   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   73  21.69 +/- 0.88   0.000% *  0.0234% (0.06   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG12  ILE   19  26.02 +/- 0.36   0.000% *  0.0716% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 99 (0.74, 1.42, 27.25 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.11, residual support = 169.9:
    * O T QD1   ILE   19 - HG12  ILE   19   2.16 +/- 0.00  79.555% * 96.7715% (1.00   4.11 169.98) =  99.979%  kept
          QG1   VAL   43 - HG    LEU   73   3.55 +/- 1.37  19.289% *  0.0749% (0.16   0.02   9.57) =   0.019%
        T QD1   ILE   19 - HG    LEU   73   5.66 +/- 0.94   0.580% *  0.1539% (0.33   0.02   5.32) =   0.001%
          QG2   VAL   18 - HG12  ILE   19   6.37 +/- 0.39   0.129% *  0.3423% (0.73   0.02  22.00) =   0.001%
          QG1   VAL   41 - HG    LEU   73   5.96 +/- 0.99   0.249% *  0.0475% (0.10   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   73   7.44 +/- 0.65   0.058% *  0.1118% (0.24   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG12  ILE   19   8.62 +/- 0.97   0.023% *  0.2294% (0.49   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   80   8.71 +/- 1.07   0.025% *  0.1615% (0.34   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   80   8.28 +/- 0.89   0.030% *  0.0941% (0.20   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG12  ILE   19   9.55 +/- 0.64   0.012% *  0.1455% (0.31   0.02   0.02) =   0.000%
          QG2   THR   46 - HG12  ILE   19  12.01 +/- 0.43   0.003% *  0.3937% (0.84   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   73  10.19 +/- 0.45   0.008% *  0.1286% (0.27   0.02   0.02) =   0.000%
        T QD1   ILE   19 - HG    LEU   80  11.08 +/- 0.85   0.005% *  0.1933% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   73   8.95 +/- 1.31   0.025% *  0.0305% (0.06   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   73  12.64 +/- 1.09   0.002% *  0.1486% (0.32   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   80  12.76 +/- 1.07   0.002% *  0.1404% (0.30   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG12  ILE   19  16.36 +/- 0.80   0.000% *  0.4549% (0.97   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   80  12.65 +/- 0.82   0.002% *  0.0597% (0.13   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG12  ILE   19  13.89 +/- 1.16   0.001% *  0.0933% (0.20   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG    LEU   80  12.65 +/- 1.16   0.002% *  0.0383% (0.08   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   80  18.50 +/- 1.08   0.000% *  0.1866% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 170.0:
    * O T HA    ILE   19 - HG13  ILE   19   2.59 +/- 0.62  97.945% * 98.9884% (1.00   5.75 169.98) =  99.999%  kept
        T HA    ILE   19 - HG    LEU   71   5.91 +/- 0.64   1.936% *  0.0493% (0.14   0.02   0.02) =   0.001%
          HA    THR   26 - HG13  ILE   19  10.04 +/- 0.64   0.070% *  0.0858% (0.25   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG13  ILE   19  14.43 +/- 0.48   0.007% *  0.3178% (0.92   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   71  10.95 +/- 0.77   0.033% *  0.0123% (0.04   0.02   0.02) =   0.000%
        T HA    CYS   53 - HG13  ILE   19  18.97 +/- 0.36   0.001% *  0.3087% (0.90   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   71  14.97 +/- 0.77   0.005% *  0.0456% (0.13   0.02   0.02) =   0.000%
          HA    SER   82 - HG13  ILE   19  21.47 +/- 0.75   0.001% *  0.1292% (0.38   0.02   0.02) =   0.000%
        T HA    CYS   53 - HG    LEU   71  19.66 +/- 0.53   0.001% *  0.0443% (0.13   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   71  21.91 +/- 0.86   0.001% *  0.0185% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 101 (2.00, 1.25, 27.25 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 170.0:
    * O T HB    ILE   19 - HG13  ILE   19   2.59 +/- 0.30  83.105% * 97.5463% (1.00   5.00 169.98) =  99.987%  kept
        T HB    ILE   19 - HG    LEU   71   3.84 +/- 0.76  13.900% *  0.0559% (0.14   0.02   0.02) =   0.010%
          HB2   GLN   17 - HG13  ILE   19   6.37 +/- 0.60   0.609% *  0.2209% (0.57   0.02   0.02) =   0.002%
          QB    GLU-  15 - HG13  ILE   19   6.69 +/- 0.52   0.331% *  0.2209% (0.57   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG    LEU   71   5.90 +/- 1.35   1.917% *  0.0317% (0.08   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG    LEU   71   8.36 +/- 0.71   0.086% *  0.0317% (0.08   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG13  ILE   19  13.74 +/- 0.39   0.004% *  0.3867% (0.99   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE   19  14.34 +/- 0.77   0.003% *  0.2982% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE   19  11.68 +/- 0.39   0.011% *  0.0869% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   71  12.27 +/- 0.55   0.008% *  0.0554% (0.14   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   71  10.51 +/- 0.58   0.021% *  0.0125% (0.03   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG13  ILE   19  21.43 +/- 0.36   0.000% *  0.3867% (0.99   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   71  15.47 +/- 0.85   0.002% *  0.0427% (0.11   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG13  ILE   19  21.02 +/- 0.47   0.000% *  0.1604% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG13  ILE   19  21.79 +/- 0.49   0.000% *  0.1464% (0.38   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   71  20.17 +/- 0.39   0.000% *  0.0554% (0.14   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG13  ILE   19  25.47 +/- 0.36   0.000% *  0.1899% (0.49   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   71  20.82 +/- 0.54   0.000% *  0.0210% (0.05   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   71  21.50 +/- 0.54   0.000% *  0.0230% (0.06   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG    LEU   71  24.46 +/- 0.58   0.000% *  0.0272% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 102 (1.42, 1.25, 27.25 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 170.0:
    * O T HG12  ILE   19 - HG13  ILE   19   1.75 +/- 0.00  95.939% * 97.0505% (1.00   5.31 169.98) =  99.998%  kept
        T HG12  ILE   19 - HG    LEU   71   3.63 +/- 0.90   3.886% *  0.0524% (0.14   0.02   0.02) =   0.002%
        T HG    LEU   73 - HG13  ILE   19   6.72 +/- 1.09   0.055% *  0.1248% (0.34   0.02   5.32) =   0.000%
          HB3   LYS+  74 - HG13  ILE   19   8.19 +/- 0.40   0.010% *  0.2071% (0.57   0.02   8.34) =   0.000%
        T HG    LEU   73 - HG    LEU   71   5.84 +/- 0.71   0.096% *  0.0179% (0.05   0.02   0.02) =   0.000%
          QB    ALA   61 - HG13  ILE   19  11.74 +/- 0.44   0.001% *  0.3173% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG13  ILE   19  11.78 +/- 0.61   0.001% *  0.2656% (0.73   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG    LEU   71   9.42 +/- 0.60   0.004% *  0.0381% (0.10   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG13  ILE   19  14.07 +/- 1.09   0.000% *  0.3585% (0.98   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG    LEU   71  10.28 +/- 0.71   0.003% *  0.0297% (0.08   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG13  ILE   19  15.10 +/- 0.84   0.000% *  0.2795% (0.76   0.02   0.02) =   0.000%
          QB    LEU   98 - HG13  ILE   19  13.49 +/- 0.85   0.001% *  0.1129% (0.31   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG13  ILE   19  15.01 +/- 0.47   0.000% *  0.1924% (0.53   0.02   0.02) =   0.000%
          QB    ALA   61 - HG    LEU   71  12.37 +/- 0.51   0.001% *  0.0455% (0.12   0.02   0.02) =   0.000%
          QB    LEU   98 - HG    LEU   71  11.00 +/- 0.60   0.002% *  0.0162% (0.04   0.02   0.02) =   0.000%
          QB    ALA  110 - HG13  ILE   19  18.61 +/- 0.29   0.000% *  0.3625% (0.99   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG    LEU   71  15.06 +/- 1.15   0.000% *  0.0514% (0.14   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG    LEU   71  13.90 +/- 0.47   0.000% *  0.0276% (0.08   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG13  ILE   19  20.96 +/- 0.74   0.000% *  0.2219% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG    LEU   71  15.91 +/- 1.08   0.000% *  0.0401% (0.11   0.02   0.02) =   0.000%
          QB    ALA  110 - HG    LEU   71  18.66 +/- 0.43   0.000% *  0.0520% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG13  ILE   19  21.77 +/- 1.22   0.000% *  0.0912% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG    LEU   71  18.24 +/- 0.78   0.000% *  0.0318% (0.09   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG    LEU   71  18.58 +/- 0.88   0.000% *  0.0131% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 103 (1.25, 1.25, 27.25 ppm):
    2 diagonal assignments:
    *     HG13  ILE   19 - HG13  ILE   19  (1.00)  kept
          HG    LEU   71 - HG    LEU   71  (0.13)  kept
 
    Peak 104 (0.74, 1.25, 27.25 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 3.98, residual support = 170.0:
    * O T QD1   ILE   19 - HG13  ILE   19   2.16 +/- 0.00  93.739% * 97.9463% (1.00   3.98 169.98) =  99.995%  kept
        T QD1   ILE   19 - HG    LEU   71   3.94 +/- 0.67   5.783% *  0.0706% (0.14   0.02   0.02) =   0.004%
          QG2   VAL   18 - HG13  ILE   19   6.17 +/- 0.36   0.189% *  0.3578% (0.73   0.02  22.00) =   0.001%
          QG1   VAL   43 - HG13  ILE   19   8.78 +/- 1.19   0.029% *  0.2399% (0.49   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   71   7.03 +/- 0.67   0.095% *  0.0513% (0.10   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   71   7.68 +/- 1.06   0.062% *  0.0344% (0.07   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG13  ILE   19   9.78 +/- 0.85   0.013% *  0.1521% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   71   7.15 +/- 0.45   0.078% *  0.0218% (0.04   0.02   0.02) =   0.000%
          QG2   THR   46 - HG13  ILE   19  11.96 +/- 0.53   0.003% *  0.4116% (0.84   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG13  ILE   19  16.53 +/- 0.85   0.001% *  0.4756% (0.97   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG13  ILE   19  14.06 +/- 0.79   0.001% *  0.0975% (0.20   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   71  13.19 +/- 0.59   0.002% *  0.0590% (0.12   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   71  13.77 +/- 0.55   0.001% *  0.0682% (0.14   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   71  12.00 +/- 0.85   0.004% *  0.0140% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 4.71, residual support = 170.0:
    *   T HA    ILE   19 - QD1   ILE   19   3.06 +/- 0.12  98.943% * 98.9736% (1.00   4.71 169.98) =  99.999%  kept
          HA    THR   26 - QD1   ILE   19   6.69 +/- 0.43   0.988% *  0.1047% (0.25   0.02   0.02) =   0.001%
          HA    GLU-  25 - QD1   ILE   19  10.50 +/- 0.31   0.063% *  0.3876% (0.92   0.02   0.02) =   0.000%
          HA    CYS   53 - QD1   ILE   19  17.02 +/- 0.23   0.003% *  0.3765% (0.90   0.02   0.02) =   0.000%
          HA    SER   82 - QD1   ILE   19  17.24 +/- 0.65   0.003% *  0.1576% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 106 (2.00, 0.74, 12.33 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.98, residual support = 170.0:
    * O T HB    ILE   19 - QD1   ILE   19   2.89 +/- 0.20  98.222% * 97.3692% (1.00   3.98 169.98) =  99.995%  kept
          QB    GLU-  15 - QD1   ILE   19   6.23 +/- 0.65   1.108% *  0.2771% (0.57   0.02   0.02) =   0.003%
          HB2   GLN   17 - QD1   ILE   19   6.89 +/- 0.29   0.573% *  0.2771% (0.57   0.02   0.02) =   0.002%
          HB3   GLU-  25 - QD1   ILE   19  10.34 +/- 0.60   0.053% *  0.3741% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   ILE   19  13.05 +/- 0.52   0.012% *  0.4852% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE   19  11.32 +/- 0.53   0.028% *  0.1090% (0.22   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   ILE   19  18.90 +/- 0.30   0.001% *  0.4852% (0.99   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   ILE   19  19.14 +/- 0.31   0.001% *  0.2012% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   ILE   19  19.53 +/- 0.42   0.001% *  0.1837% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE   19  22.42 +/- 0.33   0.000% *  0.2383% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 4.11, residual support = 170.0:
    * O T HG12  ILE   19 - QD1   ILE   19   2.16 +/- 0.00  99.278% * 96.7363% (1.00   4.11 169.98) =  99.999%  kept
        T HG    LEU   73 - QD1   ILE   19   5.66 +/- 0.94   0.624% *  0.1607% (0.34   0.02   5.32) =   0.001%
          HB3   LYS+  74 - QD1   ILE   19   7.28 +/- 0.32   0.071% *  0.2667% (0.57   0.02   8.34) =   0.000%
        T HG    LEU   80 - QD1   ILE   19  11.08 +/- 0.85   0.006% *  0.4618% (0.98   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   ILE   19  11.23 +/- 0.30   0.005% *  0.4087% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   ILE   19  11.35 +/- 0.50   0.005% *  0.3421% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   19  11.99 +/- 0.65   0.004% *  0.3601% (0.76   0.02   0.02) =   0.000%
        T QB    LEU   98 - QD1   ILE   19  11.41 +/- 0.57   0.005% *  0.1454% (0.31   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD1   ILE   19  14.10 +/- 0.53   0.001% *  0.2479% (0.53   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   ILE   19  16.49 +/- 0.23   0.001% *  0.4670% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   ILE   19  18.67 +/- 0.81   0.000% *  0.2858% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   19  18.29 +/- 0.75   0.000% *  0.1175% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (1.25, 0.74, 12.33 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 169.9:
    * O T HG13  ILE   19 - QD1   ILE   19   2.16 +/- 0.00  94.037% * 97.0472% (1.00   3.98 169.98) =  99.972%  kept
        T HG    LEU   71 - QD1   ILE   19   3.94 +/- 0.67   5.792% *  0.4379% (0.90   0.02   0.02) =   0.028%
          QG2   THR   39 - QD1   ILE   19   7.72 +/- 0.55   0.049% *  0.4078% (0.84   0.02   0.02) =   0.000%
          QB    ALA   34 - QD1   ILE   19   6.78 +/- 0.26   0.100% *  0.1087% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QD1   ILE   19   9.15 +/- 0.33   0.017% *  0.4507% (0.92   0.02   8.34) =   0.000%
          HG3   LYS+  99 - QD1   ILE   19  14.46 +/- 1.22   0.001% *  0.4619% (0.95   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD1   ILE   19  13.40 +/- 0.17   0.002% *  0.1832% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   19  14.60 +/- 0.79   0.001% *  0.2764% (0.57   0.02   0.02) =   0.000%
          QB    ALA   91 - QD1   ILE   19  17.41 +/- 0.31   0.000% *  0.4078% (0.84   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   ILE   19  15.91 +/- 0.29   0.001% *  0.1217% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   19  22.79 +/- 0.29   0.000% *  0.0966% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 109 (0.74, 0.74, 12.33 ppm):
    1 diagonal assignment:
    *     QD1   ILE   19 - QD1   ILE   19  (1.00)  kept
 
    Peak 110 (4.63, 4.63, 51.23 ppm):
    1 diagonal assignment:
    *     HA    ALA   20 - HA    ALA   20  (1.00)  kept
 
    Peak 111 (1.14, 4.63, 51.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 15.2:
    * O T QB    ALA   20 - HA    ALA   20   2.12 +/- 0.01  99.998% * 97.4600% (1.00   2.31  15.24) = 100.000%  kept
          HB3   LEU   31 - HA    ALA   20  14.34 +/- 0.61   0.001% *  0.5457% (0.65   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    ALA   20  15.18 +/- 0.26   0.001% *  0.4776% (0.57   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    ALA   20  19.63 +/- 0.44   0.000% *  0.5794% (0.69   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    ALA   20  18.21 +/- 0.57   0.000% *  0.1477% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ALA   20  24.29 +/- 0.58   0.000% *  0.6754% (0.80   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ALA   20  22.73 +/- 0.55   0.000% *  0.1142% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 112 (4.63, 1.14, 19.25 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 15.2:
    * O T HA    ALA   20 - QB    ALA   20   2.12 +/- 0.01  99.989% * 99.5063% (1.00   2.31  15.24) = 100.000%  kept
          HA    LEU   71 - QB    ALA   20   9.68 +/- 0.23   0.011% *  0.3232% (0.38   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    ALA   20  20.05 +/- 0.41   0.000% *  0.1704% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 2.76, residual support = 28.9:
    * O T HB2   CYS   21 - HA    CYS   21   2.97 +/- 0.13  99.986% * 99.3214% (1.00   2.76  28.94) = 100.000%  kept
          HB2   PHE   45 - HA    CYS   21  13.19 +/- 0.23   0.013% *  0.2705% (0.38   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    CYS   21  24.26 +/- 0.36   0.000% *  0.4081% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 2.51, residual support = 28.9:
    * O T HB3   CYS   21 - HA    CYS   21   2.41 +/- 0.12  99.998% * 99.4829% (0.69   2.51  28.94) = 100.000%  kept
          HG2   MET   96 - HA    CYS   21  14.89 +/- 0.66   0.002% *  0.5171% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 2.45, residual support = 28.9:
    * O T HB3   CYS   21 - HB2   CYS   21   1.75 +/- 0.00  99.999% * 99.4702% (0.69   2.45  28.94) = 100.000%  kept
          HG2   MET   96 - HB2   CYS   21  12.06 +/- 0.64   0.001% *  0.5298% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 2.45, residual support = 28.9:
    * O T HB2   CYS   21 - HB3   CYS   21   1.75 +/- 0.00  99.999% * 99.2376% (0.69   2.45  28.94) = 100.000%  kept
          HB2   PHE   45 - HB3   CYS   21  12.01 +/- 0.42   0.001% *  0.3039% (0.26   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   CYS   21  23.27 +/- 0.41   0.000% *  0.4585% (0.39   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 2.3, residual support = 33.5:
    * O T HB2   HIS   22 - HA    HIS   22   2.50 +/- 0.18  99.999% * 98.5649% (0.76   2.30  33.47) = 100.000%  kept
          HA    LEU   63 - HA    HIS   22  20.80 +/- 0.33   0.000% *  1.0695% (0.94   0.02   0.02) =   0.000%
          HA2   GLY  101 - HA    HIS   22  21.76 +/- 1.22   0.000% *  0.3656% (0.32   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 3.45, residual support = 33.5:
    * O T HB3   HIS   22 - HA    HIS   22   2.97 +/- 0.19  99.999% * 99.5176% (0.95   3.45  33.47) = 100.000%  kept
          HD3   ARG+  54 - HA    HIS   22  20.49 +/- 1.33   0.001% *  0.4824% (0.79   0.02   0.02) =   0.000%
    Distance limit 4.64 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 = 2.3, residual support = 33.5:
    * O T HA    HIS   22 - HB2   HIS   22   2.50 +/- 0.18  99.996% * 98.2481% (0.76   2.30  33.47) = 100.000%  kept
          HA    VAL   43 - HB2   HIS   22  13.48 +/- 0.41   0.004% *  0.8555% (0.76   0.02   0.02) =   0.000%
          HA    ASN   69 - HB2   HIS   22  23.20 +/- 0.37   0.000% *  0.8964% (0.79   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 33.5:
    * O T HB3   HIS   22 - HB2   HIS   22   1.75 +/- 0.00 100.000% * 99.6098% (0.80   4.26  33.47) = 100.000%  kept
          HD3   ARG+  54 - HB2   HIS   22  21.05 +/- 1.63   0.000% *  0.3902% (0.67   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 3.45, residual support = 33.5:
    * O T HA    HIS   22 - HB3   HIS   22   2.97 +/- 0.19  99.987% * 98.8256% (0.95   3.45  33.47) = 100.000%  kept
          HA    VAL   43 - HB3   HIS   22  13.55 +/- 0.39   0.012% *  0.5735% (0.95   0.02   0.02) =   0.000%
          HA    ASN   69 - HB3   HIS   22  22.54 +/- 0.31   0.001% *  0.6009% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 33.5:
    * O T HB2   HIS   22 - HB3   HIS   22   1.75 +/- 0.00 100.000% * 99.2220% (0.80   4.26  33.47) = 100.000%  kept
          HA    LEU   63 - HB3   HIS   22  22.56 +/- 0.34   0.000% *  0.5798% (1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   HIS   22  23.67 +/- 1.29   0.000% *  0.1982% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 131 (3.24, 3.24, 29.58 ppm):
    1 diagonal assignment:
    *     HB3   HIS   22 - HB3   HIS   22  (1.00)  kept
 
    Peak 132 (4.83, 4.83, 58.62 ppm):
    1 diagonal assignment:
    *     HA    THR   23 - HA    THR   23  (0.64)  kept
 
    Peak 133 (1.28, 4.83, 58.62 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.25, residual support = 19.3:
    * O T QG2   THR   23 - HA    THR   23   2.23 +/- 0.21  99.984% * 98.3922% (0.80   3.25  19.30) = 100.000%  kept
          QG2   THR   77 - HA    THR   23  10.65 +/- 0.41   0.011% *  0.1684% (0.22   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    THR   23  13.47 +/- 0.22   0.003% *  0.5060% (0.67   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   23  16.73 +/- 0.33   0.001% *  0.3919% (0.52   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   23  15.76 +/- 0.31   0.001% *  0.1349% (0.18   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    THR   23  17.34 +/- 0.57   0.001% *  0.1349% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    THR   23  24.37 +/- 0.51   0.000% *  0.2716% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.648, support = 3.25, residual support = 19.3:
    * O T HA    THR   23 - QG2   THR   23   2.23 +/- 0.21  45.606% * 73.2997% (0.80   3.25  19.30) =  70.822%  kept
      O   HB    THR   23 - QG2   THR   23   2.15 +/- 0.01  54.110% * 25.4516% (0.28   3.25  19.30) =  29.177%  kept
          HA    LEU   80 - QG2   THR   23   5.41 +/- 0.52   0.263% *  0.2317% (0.41   0.02  10.39) =   0.001%
          HA    ASP-  78 - QG2   THR   23  10.18 +/- 0.37   0.005% *  0.5587% (0.99   0.02   0.02) =   0.000%
          HA    ASP-  78 - QB    ALA   91   8.90 +/- 0.88   0.013% *  0.0587% (0.10   0.02   0.02) =   0.000%
          HA    LEU   80 - QB    ALA   91  12.74 +/- 0.58   0.001% *  0.0244% (0.04   0.02   0.02) =   0.000%
        T HA    THR   23 - QG2   THR   39  17.34 +/- 0.57   0.000% *  0.1005% (0.18   0.02   0.02) =   0.000%
        T HA    THR   23 - QB    ALA   91  15.76 +/- 0.31   0.000% *  0.0474% (0.08   0.02   0.02) =   0.000%
          HB    THR   23 - QG2   THR   39  17.32 +/- 0.64   0.000% *  0.0349% (0.06   0.02   0.02) =   0.000%
          HA    LEU   80 - QG2   THR   39  18.79 +/- 0.75   0.000% *  0.0516% (0.09   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   39  22.24 +/- 0.42   0.000% *  0.1244% (0.22   0.02   0.02) =   0.000%
          HB    THR   23 - QB    ALA   91  17.90 +/- 0.33   0.000% *  0.0165% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 3.38, residual support = 65.5:
    * O T QG1   VAL   24 - HA    VAL   24   2.90 +/- 0.46  99.890% * 98.4440% (1.00   3.38  65.53) = 100.000%  kept
          HB3   LEU   31 - HA    VAL   24   9.46 +/- 0.23   0.107% *  0.2608% (0.45   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    VAL   24  18.39 +/- 0.43   0.002% *  0.4859% (0.84   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    VAL   24  28.20 +/- 0.55   0.000% *  0.5702% (0.98   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL   24  25.18 +/- 0.50   0.000% *  0.2391% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 138 (3.77, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.38, residual support = 65.5:
    * O T HA    VAL   24 - QG1   VAL   24   2.90 +/- 0.46  99.995% * 99.2698% (1.00   3.38  65.53) = 100.000%  kept
          HA    LYS+  38 - QG1   VAL   24  17.38 +/- 0.56   0.003% *  0.3795% (0.65   0.02   0.02) =   0.000%
          HA    ALA   61 - QG1   VAL   24  19.43 +/- 0.77   0.001% *  0.1306% (0.22   0.02   0.02) =   0.000%
          HD2   PRO   68 - QG1   VAL   24  22.76 +/- 0.52   0.001% *  0.2202% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 5.22, residual support = 127.5:
    * O T HB2   GLU-  25 - HA    GLU-  25   2.98 +/- 0.02  99.970% * 98.3773% (1.00   5.22 127.52) = 100.000%  kept
        T HB2   GLU-  25 - HA    SER   82  13.38 +/- 1.00   0.014% *  0.1220% (0.32   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    GLU-  25  16.20 +/- 0.52   0.004% *  0.2133% (0.57   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU-  25  18.39 +/- 1.67   0.002% *  0.3693% (0.98   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   82  15.04 +/- 0.33   0.006% *  0.0691% (0.18   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU-  25  20.83 +/- 0.33   0.001% *  0.3564% (0.95   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  25  20.93 +/- 0.55   0.001% *  0.1285% (0.34   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  25  20.84 +/- 0.74   0.001% *  0.0660% (0.18   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    SER   82  23.60 +/- 1.22   0.000% *  0.1196% (0.32   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    SER   82  24.93 +/- 0.47   0.000% *  0.1155% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   82  27.25 +/- 0.77   0.000% *  0.0416% (0.11   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   82  25.88 +/- 0.68   0.000% *  0.0214% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 142 (2.01, 4.18, 61.45 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.5:
    * O T HB3   GLU-  25 - HA    GLU-  25   2.75 +/- 0.03  99.873% * 96.8331% (1.00   5.00 127.52) = 100.000%  kept
          HG3   GLN   30 - HA    GLU-  25   8.76 +/- 0.42   0.102% *  0.0966% (0.25   0.02   0.02) =   0.000%
        T HB    ILE   19 - HA    GLU-  25  13.29 +/- 0.43   0.008% *  0.2960% (0.76   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HA    SER   82  13.35 +/- 1.36   0.010% *  0.1255% (0.32   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU-  25  18.14 +/- 0.88   0.001% *  0.3664% (0.95   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU-  25  20.17 +/- 0.37   0.001% *  0.3664% (0.95   0.02   0.02) =   0.000%
        T HB    ILE   19 - HA    SER   82  19.37 +/- 0.62   0.001% *  0.0959% (0.25   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    SER   82  16.95 +/- 0.97   0.002% *  0.0313% (0.08   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  25  25.43 +/- 0.43   0.000% *  0.3235% (0.84   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    SER   82  21.27 +/- 0.36   0.000% *  0.1048% (0.27   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU-  25  25.35 +/- 0.35   0.000% *  0.2349% (0.61   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  25  27.09 +/- 0.31   0.000% *  0.2661% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    SER   82  24.31 +/- 0.47   0.000% *  0.1125% (0.29   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    SER   82  25.11 +/- 0.90   0.000% *  0.1187% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  25  29.90 +/- 0.45   0.000% *  0.3474% (0.90   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    SER   82  25.38 +/- 0.59   0.000% *  0.1187% (0.31   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    SER   82  30.65 +/- 0.50   0.000% *  0.0761% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    SER   82  31.96 +/- 0.46   0.000% *  0.0862% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 143 (2.52, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.5:
    * O T HG2   GLU-  25 - HA    GLU-  25   2.24 +/- 0.32  99.948% * 98.9747% (1.00   4.31 127.52) = 100.000%  kept
          HB3   TRP   87 - HA    SER   82   8.48 +/- 0.18   0.046% *  0.0667% (0.15   0.02   0.02) =   0.000%
        T HG2   GLU-  25 - HA    SER   82  13.45 +/- 1.28   0.003% *  0.1487% (0.32   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    GLU-  25  14.49 +/- 0.43   0.002% *  0.2058% (0.45   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    GLU-  25  21.33 +/- 0.38   0.000% *  0.1565% (0.34   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    SER   82  19.66 +/- 0.32   0.000% *  0.0507% (0.11   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    GLU-  25  34.06 +/- 0.40   0.000% *  0.1722% (0.38   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    GLU-  25  32.61 +/- 0.52   0.000% *  0.1276% (0.28   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    SER   82  30.52 +/- 0.46   0.000% *  0.0558% (0.12   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    SER   82  29.44 +/- 0.61   0.000% *  0.0413% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 127.5:
    * O T HG3   GLU-  25 - HA    GLU-  25   3.39 +/- 0.11  99.779% * 97.5758% (1.00   3.73 127.52) = 100.000%  kept
          HB2   GLU-  79 - HA    SER   82  10.22 +/- 0.42   0.141% *  0.1028% (0.20   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  25  12.73 +/- 0.60   0.038% *  0.3175% (0.61   0.02   0.02) =   0.000%
        T HG3   GLU-  25 - HA    SER   82  14.07 +/- 1.02   0.022% *  0.1696% (0.32   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU-  25  16.13 +/- 0.89   0.009% *  0.2347% (0.45   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    SER   82  19.89 +/- 0.57   0.003% *  0.1604% (0.31   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    SER   82  18.77 +/- 1.44   0.005% *  0.0760% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  25  26.76 +/- 0.43   0.000% *  0.4952% (0.95   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  25  25.96 +/- 1.34   0.001% *  0.2347% (0.45   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    SER   82  22.01 +/- 0.41   0.001% *  0.0892% (0.17   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  25  26.95 +/- 0.44   0.000% *  0.2754% (0.53   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    SER   82  25.69 +/- 0.99   0.001% *  0.0760% (0.15   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    GLU-  25  30.28 +/- 0.46   0.000% *  0.1455% (0.28   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    SER   82  29.17 +/- 0.41   0.000% *  0.0471% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 145 (4.18, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.22, residual support = 127.5:
    * O T HA    GLU-  25 - HB2   GLU-  25   2.98 +/- 0.02  99.975% * 99.1583% (1.00   5.22 127.52) = 100.000%  kept
          HA    ILE   19 - HB2   GLU-  25  13.70 +/- 0.55   0.011% *  0.3506% (0.92   0.02   0.02) =   0.000%
        T HA    SER   82 - HB2   GLU-  25  13.38 +/- 1.00   0.014% *  0.2303% (0.61   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   GLU-  25  24.80 +/- 0.54   0.000% *  0.2609% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 146 (2.20, 2.20, 28.95 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  25 - HB2   GLU-  25  (1.00)  kept
 
    Peak 147 (2.01, 2.20, 28.95 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.22, residual support = 127.5:
    * O T HB3   GLU-  25 - HB2   GLU-  25   1.75 +/- 0.00  99.993% * 97.7790% (1.00   5.22 127.52) = 100.000%  kept
          HG3   GLN   30 - HB2   GLU-  25   8.87 +/- 0.54   0.006% *  0.0934% (0.25   0.02   0.02) =   0.000%
          HB    ILE   19 - HB2   GLU-  25  12.96 +/- 0.57   0.001% *  0.2862% (0.76   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HB2   GLU-  25  17.90 +/- 0.93   0.000% *  0.3542% (0.95   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HB2   GLU-  25  19.26 +/- 0.57   0.000% *  0.3542% (0.95   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB2   GLU-  25  26.36 +/- 0.39   0.000% *  0.3128% (0.84   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB2   GLU-  25  25.22 +/- 0.55   0.000% *  0.2271% (0.61   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB2   GLU-  25  27.11 +/- 0.52   0.000% *  0.2572% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU-  25  30.73 +/- 0.48   0.000% *  0.3358% (0.90   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 148 (2.52, 2.20, 28.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.53, residual support = 127.5:
    * O T HG2   GLU-  25 - HB2   GLU-  25   2.81 +/- 0.25  99.996% * 99.3673% (1.00   4.53 127.52) = 100.000%  kept
          HB3   TRP   87 - HB2   GLU-  25  15.82 +/- 0.48   0.004% *  0.1966% (0.45   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB2   GLU-  25  22.16 +/- 0.34   0.000% *  0.1496% (0.34   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   GLU-  25  34.60 +/- 0.44   0.000% *  0.1646% (0.38   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB2   GLU-  25  33.11 +/- 0.53   0.000% *  0.1219% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 3.96, residual support = 127.5:
    * O T HG3   GLU-  25 - HB2   GLU-  25   2.70 +/- 0.11  99.982% * 98.3815% (1.00   3.96 127.52) = 100.000%  kept
          HB2   GLU-  79 - HB2   GLU-  25  11.79 +/- 0.72   0.016% *  0.3017% (0.61   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   GLU-  25  17.64 +/- 0.98   0.001% *  0.2230% (0.45   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB2   GLU-  25  26.61 +/- 0.63   0.000% *  0.4706% (0.95   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  25  26.14 +/- 1.56   0.000% *  0.2230% (0.45   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  25  27.87 +/- 0.39   0.000% *  0.2617% (0.53   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   GLU-  25  29.85 +/- 0.57   0.000% *  0.1383% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 150 (4.18, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 127.5:
    * O T HA    GLU-  25 - HB3   GLU-  25   2.75 +/- 0.03  99.984% * 99.1212% (1.00   5.00 127.52) = 100.000%  kept
        T HA    SER   82 - HB3   GLU-  25  13.35 +/- 1.36   0.010% *  0.2405% (0.61   0.02   0.02) =   0.000%
        T HA    ILE   19 - HB3   GLU-  25  14.25 +/- 0.65   0.005% *  0.3660% (0.92   0.02   0.02) =   0.000%
          HA    CYS   53 - HB3   GLU-  25  25.29 +/- 0.43   0.000% *  0.2723% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 151 (2.20, 2.01, 28.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.22, residual support = 127.5:
    * O T HB2   GLU-  25 - HB3   GLU-  25   1.75 +/- 0.00 100.000% * 98.8609% (1.00   5.22 127.52) = 100.000%  kept
        T QG    GLN   17 - HB3   GLU-  25  18.08 +/- 1.82   0.000% *  0.3711% (0.98   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU-  25  17.74 +/- 0.49   0.000% *  0.2144% (0.57   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB3   GLU-  25  21.78 +/- 0.57   0.000% *  0.3582% (0.95   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB3   GLU-  25  22.71 +/- 0.72   0.000% *  0.1291% (0.34   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLU-  25  22.83 +/- 0.83   0.000% *  0.0663% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 152 (2.01, 2.01, 28.95 ppm):
    1 diagonal assignment:
    *     HB3   GLU-  25 - HB3   GLU-  25  (1.00)  kept
 
    Peak 153 (2.52, 2.01, 28.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.5:
    * O T HG2   GLU-  25 - HB3   GLU-  25   2.86 +/- 0.13  99.996% * 99.3545% (1.00   4.44 127.52) = 100.000%  kept
          HB3   TRP   87 - HB3   GLU-  25  15.96 +/- 0.56   0.004% *  0.2006% (0.45   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB3   GLU-  25  22.49 +/- 0.34   0.000% *  0.1526% (0.34   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   GLU-  25  34.98 +/- 0.46   0.000% *  0.1679% (0.38   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB3   GLU-  25  33.50 +/- 0.55   0.000% *  0.1244% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 154 (2.33, 2.01, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 127.5:
    * O T HG3   GLU-  25 - HB3   GLU-  25   2.32 +/- 0.07  99.994% * 98.3450% (1.00   3.87 127.52) = 100.000%  kept
          HB2   GLU-  79 - HB3   GLU-  25  12.24 +/- 0.63   0.005% *  0.3085% (0.61   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   GLU-  25  17.57 +/- 0.96   0.001% *  0.2281% (0.45   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   GLU-  25  27.04 +/- 0.57   0.000% *  0.4812% (0.95   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  25  26.52 +/- 1.37   0.000% *  0.2281% (0.45   0.02   0.02) =   0.000%
        T QG    GLU- 114 - HB3   GLU-  25  28.11 +/- 0.38   0.000% *  0.2676% (0.53   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU-  25  30.39 +/- 0.50   0.000% *  0.1414% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 155 (4.18, 2.52, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 127.5:
    * O T HA    GLU-  25 - HG2   GLU-  25   2.24 +/- 0.32  99.996% * 98.9827% (1.00   4.31 127.52) = 100.000%  kept
        T HA    SER   82 - HG2   GLU-  25  13.45 +/- 1.28   0.003% *  0.2784% (0.61   0.02   0.02) =   0.000%
          HA    ILE   19 - HG2   GLU-  25  15.87 +/- 0.62   0.001% *  0.4237% (0.92   0.02   0.02) =   0.000%
          HA    CYS   53 - HG2   GLU-  25  26.72 +/- 0.58   0.000% *  0.3153% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 156 (2.20, 2.52, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.53, residual support = 127.5:
    * O T HB2   GLU-  25 - HG2   GLU-  25   2.81 +/- 0.25  99.996% * 98.6896% (1.00   4.53 127.52) = 100.000%  kept
          QG    GLN   17 - HG2   GLU-  25  19.47 +/- 1.80   0.001% *  0.4269% (0.98   0.02   0.02) =   0.000%
          HB2   MET   96 - HG2   GLU-  25  18.24 +/- 0.59   0.002% *  0.2466% (0.57   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   GLU-  25  22.60 +/- 0.46   0.000% *  0.4120% (0.95   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  25  22.42 +/- 0.78   0.000% *  0.1486% (0.34   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  25  22.46 +/- 0.84   0.000% *  0.0763% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 157 (2.01, 2.52, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.5:
    * O T HB3   GLU-  25 - HG2   GLU-  25   2.86 +/- 0.13  99.938% * 97.3988% (1.00   4.44 127.52) = 100.000%  kept
          HG3   GLN   30 - HG2   GLU-  25  10.29 +/- 0.57   0.054% *  0.1094% (0.25   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   GLU-  25  14.79 +/- 0.60   0.006% *  0.3352% (0.76   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLU-  25  19.19 +/- 1.04   0.001% *  0.4149% (0.95   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLU-  25  21.43 +/- 0.65   0.001% *  0.4149% (0.95   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   GLU-  25  27.21 +/- 0.53   0.000% *  0.3663% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLU-  25  26.82 +/- 0.62   0.000% *  0.2660% (0.61   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   GLU-  25  28.63 +/- 0.58   0.000% *  0.3013% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU-  25  31.84 +/- 0.61   0.000% *  0.3933% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 158 (2.52, 2.52, 37.82 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  25 - HG2   GLU-  25  (1.00)  kept
 
    Peak 159 (2.33, 2.52, 37.82 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.5:
    * O T HG3   GLU-  25 - HG2   GLU-  25   1.75 +/- 0.00  99.999% * 98.0735% (1.00   3.31 127.52) = 100.000%  kept
          HB2   GLU-  79 - HG2   GLU-  25  13.81 +/- 0.89   0.000% *  0.3592% (0.61   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   GLU-  25  17.01 +/- 1.31   0.000% *  0.2655% (0.45   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  25  28.32 +/- 0.80   0.000% *  0.5602% (0.95   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  25  27.62 +/- 1.73   0.000% *  0.2655% (0.45   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  25  28.71 +/- 0.58   0.000% *  0.3115% (0.53   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU-  25  31.94 +/- 0.54   0.000% *  0.1646% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.53 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 = 127.5:
    * O T HA    GLU-  25 - HG3   GLU-  25   3.39 +/- 0.11  99.969% * 98.8249% (1.00   3.73 127.52) = 100.000%  kept
        T HA    SER   82 - HG3   GLU-  25  14.07 +/- 1.02   0.022% *  0.3216% (0.61   0.02   0.02) =   0.000%
        T HA    ILE   19 - HG3   GLU-  25  16.13 +/- 0.59   0.009% *  0.4894% (0.92   0.02   0.02) =   0.000%
          HA    CYS   53 - HG3   GLU-  25  27.23 +/- 0.41   0.000% *  0.3642% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 161 (2.20, 2.33, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.96, residual support = 127.5:
    * O T HB2   GLU-  25 - HG3   GLU-  25   2.70 +/- 0.11  99.998% * 98.5015% (1.00   3.96 127.52) = 100.000%  kept
          QG    GLN   17 - HG3   GLU-  25  19.69 +/- 1.81   0.001% *  0.4882% (0.98   0.02   0.02) =   0.000%
          HB2   MET   96 - HG3   GLU-  25  19.39 +/- 0.51   0.001% *  0.2820% (0.57   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   GLU-  25  23.52 +/- 0.43   0.000% *  0.4712% (0.95   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG3   GLU-  25  23.66 +/- 0.58   0.000% *  0.1699% (0.34   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  25  23.80 +/- 0.76   0.000% *  0.0872% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 162 (2.01, 2.33, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 127.5:
    * O T HB3   GLU-  25 - HG3   GLU-  25   2.32 +/- 0.07  99.988% * 97.0234% (1.00   3.87 127.52) = 100.000%  kept
          HG3   GLN   30 - HG3   GLU-  25  10.95 +/- 0.41   0.010% *  0.1251% (0.25   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   GLU-  25  15.31 +/- 0.58   0.001% *  0.3835% (0.76   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   GLU-  25  19.60 +/- 0.95   0.000% *  0.4748% (0.95   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   GLU-  25  21.67 +/- 0.61   0.000% *  0.4748% (0.95   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HG3   GLU-  25  28.15 +/- 0.40   0.000% *  0.4192% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   GLU-  25  27.41 +/- 0.52   0.000% *  0.3044% (0.61   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   GLU-  25  29.29 +/- 0.47   0.000% *  0.3447% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   GLU-  25  32.81 +/- 0.43   0.000% *  0.4501% (0.90   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 163 (2.52, 2.33, 37.82 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.5:
    * O T HG2   GLU-  25 - HG3   GLU-  25   1.75 +/- 0.00 100.000% * 99.1364% (1.00   3.31 127.52) = 100.000%  kept
          HB3   TRP   87 - HG3   GLU-  25  17.34 +/- 0.46   0.000% *  0.2684% (0.45   0.02   0.02) =   0.000%
          HB3   PHE   95 - HG3   GLU-  25  24.32 +/- 0.34   0.000% *  0.2042% (0.34   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG3   GLU-  25  36.90 +/- 0.39   0.000% *  0.2246% (0.38   0.02   0.02) =   0.000%
          HG2   GLN  116 - HG3   GLU-  25  35.42 +/- 0.50   0.000% *  0.1664% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.53 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 = 0.02, residual support = 28.5:
    * O T HB    THR   26 - HA    THR   26   3.05 +/- 0.01 100.000% * 36.7127% (1.00   0.02  28.46) = 100.000%  kept
          HA    ASP-  62 - HA    THR   26  24.16 +/- 0.61   0.000% * 33.8901% (0.92   0.02   0.02) =   0.000%
          HA    SER  117 - HA    THR   26  31.43 +/- 0.46   0.000% * 29.3972% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 20 structures by 0.46 A, eliminated.
    Peak unassigned.
 
    Peak 167 (1.50, 4.15, 66.74 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.09, residual support = 28.5:
    * O T QG2   THR   26 - HA    THR   26   2.54 +/- 0.07  99.989% * 97.2038% (1.00   3.09  28.46) = 100.000%  kept
          HB2   LYS+  74 - HA    THR   26  12.20 +/- 0.63   0.009% *  0.5642% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR   26  22.20 +/- 1.15   0.000% *  0.6236% (0.99   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    THR   26  18.09 +/- 1.00   0.001% *  0.1749% (0.28   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    THR   26  23.57 +/- 0.57   0.000% *  0.4070% (0.65   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR   26  20.35 +/- 0.80   0.000% *  0.1245% (0.20   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    THR   26  26.65 +/- 1.01   0.000% *  0.6072% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    THR   26  26.72 +/- 0.80   0.000% *  0.1245% (0.20   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    THR   26  26.53 +/- 0.41   0.000% *  0.0851% (0.14   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    THR   26  27.24 +/- 1.29   0.000% *  0.0851% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.999, support = 0.02, residual support = 28.4:
    * O T HA    THR   26 - HB    THR   26   3.05 +/- 0.01  99.510% * 22.7542% (1.00   0.02  28.46) =  99.852%  kept
          HA    ASN   28 - HB    THR   26   7.85 +/- 0.09   0.345% *  7.0230% (0.31   0.02   0.02) =   0.107%
          HA    ILE   19 - HB    THR   26   9.33 +/- 0.56   0.130% *  5.6738% (0.25   0.02   0.02) =   0.032%
          HA    ALA   34 - HB    THR   26  13.91 +/- 0.39   0.011% * 11.0757% (0.49   0.02   0.02) =   0.006%
          HA1   GLY  101 - HB    THR   26  17.63 +/- 1.85   0.003% * 15.6300% (0.69   0.02   0.02) =   0.002%
          HA    CYS   53 - HB    THR   26  21.07 +/- 0.71   0.001% * 11.0757% (0.49   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB    THR   26  28.48 +/- 0.66   0.000% * 19.0059% (0.84   0.02   0.02) =   0.000%
          HA    LEU  115 - HB    THR   26  24.88 +/- 0.66   0.000% *  7.7616% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 20 structures by 0.31 A, eliminated.
    Peak unassigned.
 
    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 = 2.96, residual support = 28.5:
    * O T QG2   THR   26 - HB    THR   26   2.15 +/- 0.01  99.989% * 97.0818% (1.00   2.96  28.46) = 100.000%  kept
          HB2   LYS+  74 - HB    THR   26  10.14 +/- 0.76   0.010% *  0.5889% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB    THR   26  21.09 +/- 1.18   0.000% *  0.6508% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB    THR   26  18.61 +/- 1.17   0.000% *  0.1826% (0.28   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB    THR   26  22.97 +/- 0.66   0.000% *  0.4248% (0.65   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB    THR   26  26.35 +/- 1.02   0.000% *  0.6337% (0.97   0.02   0.02) =   0.000%
          HG    LEU  104 - HB    THR   26  20.89 +/- 0.98   0.000% *  0.1299% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB    THR   26  26.26 +/- 0.86   0.000% *  0.1299% (0.20   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    THR   26  25.77 +/- 1.34   0.000% *  0.0889% (0.14   0.02   0.02) =   0.000%
        T QB    ALA  120 - HB    THR   26  25.96 +/- 0.55   0.000% *  0.0889% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 171 (4.15, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.09, residual support = 28.5:
    * O T HA    THR   26 - QG2   THR   26   2.54 +/- 0.07  99.160% * 97.8500% (1.00   3.09  28.46) =  99.998%  kept
          HA    ILE   19 - QG2   THR   26   6.22 +/- 0.49   0.506% *  0.1579% (0.25   0.02   0.02) =   0.001%
          HA    ASN   28 - QG2   THR   26   6.71 +/- 0.13   0.303% *  0.1955% (0.31   0.02   0.02) =   0.001%
          HA    ALA   34 - QG2   THR   26  10.12 +/- 0.33   0.026% *  0.3083% (0.49   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   THR   26  14.24 +/- 1.51   0.004% *  0.4350% (0.69   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   THR   26  17.48 +/- 0.54   0.001% *  0.3083% (0.49   0.02   0.02) =   0.000%
        T HA    GLU- 114 - QG2   THR   26  23.42 +/- 0.54   0.000% *  0.5290% (0.84   0.02   0.02) =   0.000%
        T HA    LEU  115 - QG2   THR   26  20.25 +/- 0.53   0.000% *  0.2160% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 2.96, residual support = 28.5:
    * O T HB    THR   26 - QG2   THR   26   2.15 +/- 0.01 100.000% * 98.8475% (1.00   2.96  28.46) = 100.000%  kept
          HA    ASP-  62 - QG2   THR   26  17.90 +/- 0.58   0.000% *  0.6171% (0.92   0.02   0.02) =   0.000%
        T HA    SER  117 - QG2   THR   26  24.75 +/- 0.52   0.000% *  0.5353% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 97.8:
    * O T HB2   TRP   27 - HA    TRP   27   2.99 +/- 0.05  99.982% * 99.3516% (1.00   4.44  97.78) = 100.000%  kept
          HA    THR   77 - HA    TRP   27  12.78 +/- 0.37   0.017% *  0.2007% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   93 - HA    TRP   27  20.12 +/- 0.42   0.001% *  0.4477% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 97.8:
    * O T HB3   TRP   27 - HA    TRP   27   2.34 +/- 0.05  99.994% * 98.7363% (1.00   4.44  97.78) = 100.000%  kept
          HB2   PHE   97 - HA    TRP   27  15.41 +/- 0.59   0.001% *  0.4436% (1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    TRP   27  14.83 +/- 0.69   0.002% *  0.1993% (0.45   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    TRP   27  16.67 +/- 1.22   0.001% *  0.3054% (0.69   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    TRP   27  16.10 +/- 0.43   0.001% *  0.2164% (0.49   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    TRP   27  16.60 +/- 0.67   0.001% *  0.0990% (0.22   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 = 97.8:
    * O T HA    TRP   27 - HB2   TRP   27   2.99 +/- 0.05  99.997% * 98.9964% (1.00   4.44  97.78) = 100.000%  kept
          HA    ALA   91 - HB2   TRP   27  18.25 +/- 0.41   0.002% *  0.4118% (0.92   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   TRP   27  20.15 +/- 0.59   0.001% *  0.3572% (0.80   0.02   0.02) =   0.000%
          HA    PRO   52 - HB2   TRP   27  23.98 +/- 0.51   0.000% *  0.2347% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 97.8:
    * O T HB3   TRP   27 - HB2   TRP   27   1.75 +/- 0.00  99.999% * 98.8702% (1.00   4.97  97.78) = 100.000%  kept
          HB2   PHE   97 - HB2   TRP   27  16.60 +/- 0.54   0.000% *  0.3966% (1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   TRP   27  16.70 +/- 1.31   0.000% *  0.2730% (0.69   0.02   0.02) =   0.000%
          QE    LYS+  99 - HB2   TRP   27  16.61 +/- 0.60   0.000% *  0.1782% (0.45   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   TRP   27  17.46 +/- 0.53   0.000% *  0.1935% (0.49   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB2   TRP   27  18.13 +/- 0.86   0.000% *  0.0885% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 97.8:
    * O T HA    TRP   27 - HB3   TRP   27   2.34 +/- 0.05  99.999% * 98.9970% (1.00   4.44  97.78) = 100.000%  kept
          HA    ALA   91 - HB3   TRP   27  17.38 +/- 0.41   0.001% *  0.4115% (0.92   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   TRP   27  19.14 +/- 0.58   0.000% *  0.3569% (0.80   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   TRP   27  22.56 +/- 0.44   0.000% *  0.2345% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 97.8:
    * O T HB2   TRP   27 - HB3   TRP   27   1.75 +/- 0.00  99.998% * 99.4211% (1.00   4.97  97.78) = 100.000%  kept
          HA    THR   77 - HB3   TRP   27  10.72 +/- 0.39   0.002% *  0.1792% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   93 - HB3   TRP   27  18.80 +/- 0.48   0.000% *  0.3997% (1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 182 (2.99, 2.99, 30.32 ppm):
    1 diagonal assignment:
    *     HB3   TRP   27 - HB3   TRP   27  (1.00)  kept
 
    Peak 183 (4.13, 4.13, 56.27 ppm):
    1 diagonal assignment:
    *     HA    ASN   28 - HA    ASN   28  (1.00)  kept
 
    Peak 184 (2.93, 4.13, 56.27 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.34, residual support = 90.6:
    * O T HB2   ASN   28 - HA    ASN   28   3.02 +/- 0.02  99.321% * 98.2449% (1.00   4.34  90.62) =  99.998%  kept
          QE    LYS+  33 - HA    ASN   28   8.75 +/- 1.25   0.241% *  0.4440% (0.98   0.02   0.02) =   0.001%
        T HB2   ASN   35 - HA    ASN   28   7.83 +/- 0.66   0.365% *  0.2031% (0.45   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HA    ASN   28  10.38 +/- 0.53   0.064% *  0.3627% (0.80   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   28  18.22 +/- 0.66   0.002% *  0.2383% (0.53   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   28  15.12 +/- 0.69   0.007% *  0.0699% (0.15   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   28  22.34 +/- 1.18   0.001% *  0.4371% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 185 (2.73, 4.13, 56.27 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 90.6:
    * O T HB3   ASN   28 - HA    ASN   28   2.71 +/- 0.08  99.681% * 99.2689% (1.00   4.20  90.62) =  99.999%  kept
          HG2   GLN   30 - HA    ASN   28   7.08 +/- 0.16   0.319% *  0.4363% (0.92   0.02   6.57) =   0.001%
          QE    LYS+ 121 - HA    ASN   28  21.04 +/- 1.08   0.000% *  0.2119% (0.45   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASN   28  24.13 +/- 1.12   0.000% *  0.0828% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 186 (4.13, 2.93, 38.30 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.34, residual support = 90.6:
    * O T HA    ASN   28 - HB2   ASN   28   3.02 +/- 0.02  93.284% * 96.9041% (1.00   4.34  90.62) =  99.990%  kept
          HA    THR   26 - HB2   ASN   28   5.35 +/- 0.16   3.078% *  0.1379% (0.31   0.02   0.02) =   0.005%
          HA    ALA   34 - HB2   ASN   35   5.76 +/- 0.31   2.020% *  0.1315% (0.29   0.02  18.37) =   0.003%
          HA1   GLY  101 - HB2   ASN   35   6.76 +/- 1.31   1.210% *  0.1113% (0.25   0.02   0.02) =   0.001%
        T HA    ASN   28 - HB2   ASN   35   7.83 +/- 0.66   0.342% *  0.1390% (0.31   0.02   0.02) =   0.001%
          HA    ALA   34 - HB2   ASN   28  12.54 +/- 0.23   0.018% *  0.4226% (0.95   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ASN   28  13.55 +/- 1.86   0.014% *  0.3577% (0.80   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   ASN   35  12.22 +/- 0.56   0.022% *  0.0429% (0.10   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   28  14.13 +/- 0.58   0.009% *  0.0782% (0.18   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   28  25.99 +/- 0.54   0.000% *  0.4458% (1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   35  23.84 +/- 0.61   0.000% *  0.1387% (0.31   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   28  27.74 +/- 0.63   0.000% *  0.2890% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   28  28.88 +/- 0.57   0.000% *  0.2890% (0.65   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   35  21.11 +/- 0.80   0.001% *  0.0243% (0.05   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   35  26.45 +/- 0.51   0.000% *  0.0899% (0.20   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   35  26.01 +/- 1.04   0.000% *  0.0731% (0.16   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   28  32.38 +/- 0.89   0.000% *  0.2351% (0.53   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   35  30.03 +/- 0.82   0.000% *  0.0899% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 187 (2.93, 2.93, 38.30 ppm):
    2 diagonal assignments:
    *     HB2   ASN   28 - HB2   ASN   28  (1.00)  kept
          HB2   ASN   35 - HB2   ASN   35  (0.14)  kept
 
    Peak 188 (2.73, 2.93, 38.30 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 90.6:
    * O T HB3   ASN   28 - HB2   ASN   28   1.75 +/- 0.00  99.977% * 99.1206% (1.00   5.27  90.62) = 100.000%  kept
          HG2   GLN   30 - HB2   ASN   28   7.77 +/- 0.26   0.013% *  0.3471% (0.92   0.02   6.57) =   0.000%
        T HB3   ASN   28 - HB2   ASN   35   8.76 +/- 0.57   0.007% *  0.1170% (0.31   0.02   0.02) =   0.000%
          HG2   GLN   30 - HB2   ASN   35  10.18 +/- 0.58   0.003% *  0.1080% (0.29   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   35  18.29 +/- 1.26   0.000% *  0.0524% (0.14   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   28  23.65 +/- 1.07   0.000% *  0.1686% (0.45   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   28  26.75 +/- 1.04   0.000% *  0.0659% (0.18   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   35  22.30 +/- 1.25   0.000% *  0.0205% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 189 (4.13, 2.73, 38.30 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 90.6:
    * O T HA    ASN   28 - HB3   ASN   28   2.71 +/- 0.08  99.378% * 97.6526% (1.00   4.20  90.62) =  99.999%  kept
          HA    THR   26 - HB3   ASN   28   6.41 +/- 0.17   0.589% *  0.1435% (0.31   0.02   0.02) =   0.001%
          HA    ALA   34 - HB3   ASN   28  11.75 +/- 0.17   0.015% *  0.4399% (0.95   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   ASN   28  12.45 +/- 1.84   0.014% *  0.3723% (0.80   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   ASN   28  15.40 +/- 0.56   0.003% *  0.0814% (0.18   0.02   0.02) =   0.000%
          HA    LEU  115 - HB3   ASN   28  26.20 +/- 0.61   0.000% *  0.4640% (1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   ASN   28  28.77 +/- 0.62   0.000% *  0.3008% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   ASN   28  29.00 +/- 0.64   0.000% *  0.3008% (0.65   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   ASN   28  32.03 +/- 0.95   0.000% *  0.2446% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 190 (2.93, 2.73, 38.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 90.6:
    * O T HB2   ASN   28 - HB3   ASN   28   1.75 +/- 0.00  99.983% * 98.5514% (1.00   5.27  90.62) = 100.000%  kept
          QE    LYS+  33 - HB3   ASN   28   9.23 +/- 1.54   0.008% *  0.3664% (0.98   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HB3   ASN   28   8.76 +/- 0.57   0.007% *  0.1676% (0.45   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HB3   ASN   28  11.65 +/- 0.67   0.001% *  0.2994% (0.80   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   28  19.43 +/- 0.60   0.000% *  0.1967% (0.53   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   28  16.58 +/- 0.62   0.000% *  0.0577% (0.15   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASN   28  24.24 +/- 1.22   0.000% *  0.3608% (0.97   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 191 (2.73, 2.73, 38.30 ppm):
    1 diagonal assignment:
    *     HB3   ASN   28 - HB3   ASN   28  (1.00)  kept
 
    Peak 192 (4.00, 4.00, 59.66 ppm):
    3 diagonal assignments:
    *     HA    GLU-  29 - HA    GLU-  29  (1.00)  kept
          HA    LYS+  33 - HA    LYS+  33  (0.26)  kept
          HA    GLN   32 - HA    GLN   32  (0.10)  kept
 
    Peak 193 (2.25, 4.00, 59.66 ppm):
    33 chemical-shift based assignments, quality = 0.998, support = 4.97, residual support = 84.6:
    * O T HB2   GLU-  29 - HA    GLU-  29   2.73 +/- 0.21  99.478% * 96.9447% (1.00   4.97  84.55) = 100.000%  kept
        T HB2   GLU-  29 - HA    LYS+  33   7.75 +/- 0.44   0.194% *  0.1069% (0.27   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HA    GLN   32   7.86 +/- 0.29   0.181% *  0.0873% (0.22   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   32  11.05 +/- 0.81   0.028% *  0.0328% (0.08   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LYS+  33  11.39 +/- 0.82   0.022% *  0.0401% (0.10   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    LYS+  33  10.97 +/- 1.71   0.038% *  0.0212% (0.05   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLU-  29  14.18 +/- 1.27   0.006% *  0.1203% (0.31   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLU-  29  14.14 +/- 1.67   0.007% *  0.0771% (0.20   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    LYS+  33  12.50 +/- 1.51   0.015% *  0.0330% (0.08   0.02   0.02) =   0.000%
        T HB3   PHE   72 - HA    GLU-  29  15.86 +/- 0.34   0.003% *  0.1463% (0.37   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  29  16.17 +/- 0.84   0.003% *  0.1463% (0.37   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU-  29  18.55 +/- 0.53   0.001% *  0.1747% (0.45   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  29  19.46 +/- 1.64   0.001% *  0.1747% (0.45   0.02   0.02) =   0.000%
        T HB3   PHE   72 - HA    LYS+  33  14.96 +/- 0.47   0.004% *  0.0401% (0.10   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  29  18.37 +/- 0.62   0.001% *  0.1084% (0.28   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   32  14.35 +/- 1.71   0.006% *  0.0173% (0.04   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   32  15.89 +/- 1.44   0.003% *  0.0269% (0.07   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   32  16.19 +/- 0.49   0.003% *  0.0328% (0.08   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU-  29  22.97 +/- 0.46   0.000% *  0.2677% (0.69   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   32  20.19 +/- 0.42   0.001% *  0.0600% (0.15   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  33  21.13 +/- 0.29   0.000% *  0.0734% (0.19   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  29  28.26 +/- 0.89   0.000% *  0.3820% (0.98   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LYS+  33  18.83 +/- 0.44   0.001% *  0.0297% (0.08   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  29  28.24 +/- 0.70   0.000% *  0.3121% (0.80   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLN   32  20.51 +/- 1.14   0.001% *  0.0391% (0.10   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   32  18.80 +/- 0.56   0.001% *  0.0243% (0.06   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   32  21.47 +/- 0.62   0.000% *  0.0391% (0.10   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  33  22.35 +/- 0.58   0.000% *  0.0479% (0.12   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LYS+  33  22.79 +/- 1.15   0.000% *  0.0479% (0.12   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LYS+  33  26.61 +/- 0.64   0.000% *  0.0856% (0.22   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   32  26.78 +/- 0.63   0.000% *  0.0699% (0.18   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLN   32  28.92 +/- 0.68   0.000% *  0.0856% (0.22   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  33  30.49 +/- 0.68   0.000% *  0.1048% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 194 (2.16, 4.00, 59.66 ppm):
    18 chemical-shift based assignments, quality = 0.905, support = 4.53, residual support = 84.5:
    * O T HG3   GLU-  29 - HA    GLU-  29   2.87 +/- 0.32  42.977% * 49.1921% (1.00   4.05  84.55) =  53.646%  kept
      O   HB3   GLU-  29 - HA    GLU-  29   2.90 +/- 0.16  36.776% * 49.6536% (0.80   5.10  84.55) =  46.337%  kept
          QB    GLU-  36 - HA    LYS+  33   3.37 +/- 0.39  17.691% *  0.0325% (0.13   0.02   0.02) =   0.015%
          QB    GLU-  36 - HA    GLN   32   4.75 +/- 0.44   2.202% *  0.0265% (0.11   0.02   0.02) =   0.001%
          QB    GLU-  36 - HA    GLU-  29   8.31 +/- 0.48   0.068% *  0.1183% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  33   8.35 +/- 0.71   0.070% *  0.0534% (0.22   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   32   8.26 +/- 0.21   0.068% *  0.0545% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLN   32   8.15 +/- 0.24   0.072% *  0.0436% (0.18   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - HA    LYS+  33   9.30 +/- 0.60   0.038% *  0.0667% (0.27   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    LYS+  33  10.01 +/- 0.23   0.022% *  0.0484% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   32  10.86 +/- 0.34   0.013% *  0.0395% (0.16   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  29  15.72 +/- 0.28   0.001% *  0.1766% (0.72   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  29  15.67 +/- 0.57   0.001% *  0.1000% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  29  23.34 +/- 0.90   0.000% *  0.2300% (0.94   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLN   32  19.20 +/- 0.74   0.000% *  0.0224% (0.09   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    LYS+  33  20.55 +/- 0.61   0.000% *  0.0274% (0.11   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLN   32  24.73 +/- 0.64   0.000% *  0.0515% (0.21   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  33  27.22 +/- 0.58   0.000% *  0.0631% (0.26   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 195 (2.43, 4.00, 59.66 ppm):
    21 chemical-shift based assignments, quality = 0.998, support = 4.48, residual support = 84.6:
    * O T HG2   GLU-  29 - HA    GLU-  29   2.45 +/- 0.30  99.572% * 97.6042% (1.00   4.48  84.55) = 100.000%  kept
        T HG2   GLU-  29 - HA    LYS+  33   8.14 +/- 0.71   0.278% *  0.1195% (0.27   0.02   0.02) =   0.000%
        T HG2   GLU-  29 - HA    GLN   32   7.66 +/- 0.26   0.138% *  0.0976% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  29  15.69 +/- 0.72   0.002% *  0.4205% (0.96   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  19.16 +/- 0.34   0.001% *  0.2819% (0.65   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLN   32  16.06 +/- 0.70   0.002% *  0.0942% (0.22   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLU-  29  16.77 +/- 0.91   0.001% *  0.0970% (0.22   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLN   32  14.81 +/- 0.78   0.003% *  0.0217% (0.05   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    LYS+  33  19.85 +/- 0.66   0.000% *  0.1153% (0.26   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    LYS+  33  16.89 +/- 0.78   0.001% *  0.0266% (0.06   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  20.16 +/- 0.48   0.000% *  0.0631% (0.14   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  21.69 +/- 0.32   0.000% *  0.0773% (0.18   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  29  26.57 +/- 0.45   0.000% *  0.2643% (0.61   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  27.33 +/- 0.41   0.000% *  0.2819% (0.65   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.42 +/- 0.46   0.000% *  0.1086% (0.25   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    LYS+  33  24.81 +/- 0.46   0.000% *  0.0725% (0.17   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  22.00 +/- 0.47   0.000% *  0.0243% (0.06   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  26.99 +/- 0.41   0.000% *  0.0773% (0.18   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.07 +/- 0.22   0.000% *  0.0298% (0.07   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLN   32  25.98 +/- 0.59   0.000% *  0.0592% (0.14   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  26.96 +/- 0.51   0.000% *  0.0631% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 2 structures by 0.02 A, kept.
 
    Peak 196 (4.00, 2.25, 30.32 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.97, residual support = 84.6:
    * O T HA    GLU-  29 - HB2   GLU-  29   2.73 +/- 0.21  99.612% * 97.5435% (1.00   4.97  84.55) =  99.999%  kept
        T HA    LYS+  33 - HB2   GLU-  29   7.75 +/- 0.44   0.194% *  0.3718% (0.95   0.02   0.02) =   0.001%
        T HA    GLN   32 - HB2   GLU-  29   7.86 +/- 0.29   0.181% *  0.1762% (0.45   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   GLU-  29  14.32 +/- 0.48   0.005% *  0.3930% (1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLU-  29  15.52 +/- 1.08   0.004% *  0.3895% (0.99   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   GLU-  29  15.68 +/- 0.25   0.003% *  0.2700% (0.69   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLU-  29  22.94 +/- 0.73   0.000% *  0.2854% (0.73   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   GLU-  29  22.06 +/- 0.67   0.000% *  0.1913% (0.49   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   GLU-  29  30.59 +/- 0.44   0.000% *  0.2700% (0.69   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   GLU-  29  27.00 +/- 0.67   0.000% *  0.1093% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 0.816, support = 3.97, residual support = 84.6:
      O   HB3   GLU-  29 - HB2   GLU-  29   1.75 +/- 0.00  94.734% * 40.0990% (0.80   3.91  84.55) =  92.417%  kept
    * O T HG3   GLU-  29 - HB2   GLU-  29   2.91 +/- 0.24   5.262% * 59.2431% (1.00   4.63  84.55) =   7.583%  kept
          QB    GLU-  36 - HB2   GLU-  29   9.70 +/- 0.60   0.004% *  0.1246% (0.49   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - HB2   GLU-  29  14.68 +/- 0.89   0.000% *  0.1052% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   GLU-  29  17.09 +/- 0.44   0.000% *  0.1859% (0.73   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   GLU-  29  23.35 +/- 1.12   0.000% *  0.2422% (0.95   0.02   0.02) =   0.000%
    Distance limit 2.52 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 = 4.22, residual support = 84.6:
    * O T HG2   GLU-  29 - HB2   GLU-  29   2.66 +/- 0.23  99.995% * 98.4418% (1.00   4.22  84.55) = 100.000%  kept
          HB3   ASP-  86 - HB2   GLU-  29  16.82 +/- 0.84   0.002% *  0.4506% (0.97   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   GLU-  29  18.93 +/- 0.61   0.001% *  0.3020% (0.65   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   GLU-  29  17.69 +/- 0.99   0.001% *  0.1039% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   GLU-  29  25.97 +/- 0.47   0.000% *  0.2832% (0.61   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   GLU-  29  26.98 +/- 0.54   0.000% *  0.3020% (0.65   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  29  23.75 +/- 0.45   0.000% *  0.1164% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 204 (4.00, 2.43, 36.74 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.48, residual support = 84.6:
    * O T HA    GLU-  29 - HG2   GLU-  29   2.45 +/- 0.30  99.575% * 97.2797% (1.00   4.48  84.55) =  99.999%  kept
        T HA    LYS+  33 - HG2   GLU-  29   8.14 +/- 0.71   0.278% *  0.4117% (0.95   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG2   GLU-  29   7.66 +/- 0.26   0.138% *  0.1951% (0.45   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   GLU-  29  16.32 +/- 1.31   0.004% *  0.4352% (1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   GLU-  29  17.17 +/- 1.25   0.003% *  0.2990% (0.69   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLU-  29  15.68 +/- 1.19   0.002% *  0.4314% (0.99   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLU-  29  24.41 +/- 0.59   0.000% *  0.3160% (0.73   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   GLU-  29  22.68 +/- 0.50   0.000% *  0.2119% (0.49   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   GLU-  29  32.20 +/- 1.07   0.000% *  0.2990% (0.69   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   GLU-  29  28.61 +/- 0.77   0.000% *  0.1210% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.71 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 = 4.22, residual support = 84.6:
    * O T HB2   GLU-  29 - HG2   GLU-  29   2.66 +/- 0.23  99.982% * 97.7290% (1.00   4.22  84.55) = 100.000%  kept
          QG    GLU-  14 - HG2   GLU-  29  14.02 +/- 1.47   0.006% *  0.1431% (0.31   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG2   GLU-  29  14.62 +/- 2.19   0.007% *  0.0917% (0.20   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   GLU-  29  16.98 +/- 1.28   0.002% *  0.1740% (0.38   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  29  18.17 +/- 0.88   0.001% *  0.1740% (0.38   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   GLU-  29  18.97 +/- 0.76   0.001% *  0.2078% (0.45   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   GLU-  29  20.38 +/- 1.69   0.001% *  0.2078% (0.45   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   GLU-  29  19.60 +/- 1.24   0.001% *  0.1289% (0.28   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG2   GLU-  29  24.93 +/- 0.93   0.000% *  0.3184% (0.69   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   GLU-  29  29.42 +/- 1.11   0.000% *  0.4543% (0.98   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   GLU-  29  29.83 +/- 1.35   0.000% *  0.3711% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 5 structures by 0.08 A, kept.
 
    Peak 206 (2.16, 2.43, 36.74 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.23, residual support = 84.5:
    * O T HG3   GLU-  29 - HG2   GLU-  29   1.75 +/- 0.00  94.835% * 98.4299% (1.00   4.23  84.55) =  99.979%  kept
      O T HB3   GLU-  29 - HG2   GLU-  29   2.92 +/- 0.23   5.161% *  0.3730% (0.80   0.02  84.55) =   0.021%
        T QB    GLU-  36 - HG2   GLU-  29   9.52 +/- 0.55   0.004% *  0.2267% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  29  15.89 +/- 0.59   0.000% *  0.1915% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  29  17.53 +/- 0.68   0.000% *  0.3383% (0.73   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  29  24.30 +/- 0.95   0.000% *  0.4406% (0.95   0.02   0.02) =   0.000%
    Distance limit 2.83 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 = 0.974, support = 4.98, residual support = 154.2:
    * O T HB2   GLN   30 - HA    GLN   30   2.78 +/- 0.17  76.529% * 55.2998% (1.00   5.07 154.16) =  80.584%  kept
      O T HG3   GLN   30 - HA    GLN   30   3.44 +/- 0.35  23.430% * 43.5200% (0.87   4.60 154.16) =  19.416%  kept
          QB    GLU-  15 - HA    GLN   30  10.70 +/- 0.90   0.031% *  0.0382% (0.18   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   30  14.86 +/- 0.73   0.004% *  0.2163% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLN   30  14.13 +/- 0.37   0.005% *  0.0382% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLN   30  17.25 +/- 0.39   0.001% *  0.1062% (0.49   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HA    GLN   30  21.05 +/- 0.44   0.000% *  0.1236% (0.57   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLN   30  25.20 +/- 0.76   0.000% *  0.2015% (0.92   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   30  25.95 +/- 0.43   0.000% *  0.2183% (1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLN   30  28.25 +/- 0.61   0.000% *  0.1893% (0.87   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HA    GLN   30  27.45 +/- 0.33   0.000% *  0.0486% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.999, support = 5.22, residual support = 154.0:
    * O T HB3   GLN   30 - HA    GLN   30   2.91 +/- 0.13  44.910% * 97.9638% (1.00   5.23 154.16) =  99.883%  kept
          QB    LYS+  33 - HA    GLN   30   2.83 +/- 0.47  55.081% *  0.0935% (0.25   0.02   0.02) =   0.117%
          HB3   LYS+  38 - HA    GLN   30  13.23 +/- 0.43   0.005% *  0.3547% (0.95   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   30  16.77 +/- 0.68   0.001% *  0.1542% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLN   30  17.77 +/- 0.40   0.001% *  0.1407% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLN   30  19.53 +/- 2.98   0.001% *  0.0657% (0.18   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   30  24.10 +/- 0.36   0.000% *  0.3132% (0.84   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   30  18.57 +/- 0.52   0.001% *  0.0657% (0.18   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   30  24.96 +/- 0.44   0.000% *  0.3619% (0.97   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   30  25.65 +/- 0.39   0.000% *  0.3132% (0.84   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   30  22.55 +/- 1.00   0.000% *  0.1157% (0.31   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   30  26.83 +/- 0.85   0.000% *  0.0579% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 5.53, residual support = 154.2:
    * O T HG2   GLN   30 - HA    GLN   30   2.36 +/- 0.23  99.873% * 99.2994% (1.00   5.53 154.16) = 100.000%  kept
          HB3   ASN   28 - HA    GLN   30   7.40 +/- 0.11   0.127% *  0.3315% (0.92   0.02   6.57) =   0.000%
          QE    LYS+ 121 - HA    GLN   30  20.56 +/- 1.17   0.000% *  0.2466% (0.69   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    GLN   30  21.94 +/- 1.01   0.000% *  0.1225% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 212 (3.84, 2.04, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.07, residual support = 154.2:
    * O T HA    GLN   30 - HB2   GLN   30   2.78 +/- 0.17  99.765% * 98.7017% (1.00   5.07 154.16) = 100.000%  kept
          HB    THR   39 - HB2   GLN   30   8.84 +/- 1.05   0.115% *  0.0971% (0.25   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   GLN   30   9.35 +/- 0.88   0.077% *  0.0601% (0.15   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   GLN   30  14.31 +/- 3.04   0.034% *  0.1083% (0.28   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   GLN   30  14.80 +/- 1.05   0.006% *  0.2206% (0.57   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLN   30  20.39 +/- 0.43   0.001% *  0.2977% (0.76   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   GLN   30  17.71 +/- 0.44   0.002% *  0.0601% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   GLN   30  24.49 +/- 0.31   0.000% *  0.3861% (0.99   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   GLN   30  22.86 +/- 0.52   0.000% *  0.0682% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 213 (2.04, 2.04, 28.09 ppm):
    1 diagonal assignment:
    *     HB2   GLN   30 - HB2   GLN   30  (1.00)  kept
 
    Peak 214 (1.89, 2.04, 28.09 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.32, residual support = 154.2:
    * O T HB3   GLN   30 - HB2   GLN   30   1.75 +/- 0.00  99.754% * 97.5487% (1.00   4.32 154.16) = 100.000%  kept
          QB    LYS+  33 - HB2   GLN   30   4.89 +/- 0.43   0.245% *  0.1126% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   GLN   30  14.00 +/- 0.76   0.000% *  0.4270% (0.95   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HB2   GLN   30  14.86 +/- 0.80   0.000% *  0.1856% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   30  16.03 +/- 0.64   0.000% *  0.1694% (0.38   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   30  16.74 +/- 0.77   0.000% *  0.0791% (0.18   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   30  21.61 +/- 0.42   0.000% *  0.3770% (0.84   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   30  22.36 +/- 0.51   0.000% *  0.4356% (0.97   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   30  23.58 +/- 0.62   0.000% *  0.3770% (0.84   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   GLN   30  20.15 +/- 1.04   0.000% *  0.1393% (0.31   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   GLN   30  20.73 +/- 2.92   0.000% *  0.0791% (0.18   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB2   GLN   30  24.49 +/- 0.84   0.000% *  0.0696% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 5.77, residual support = 154.2:
    * O T HG2   GLN   30 - HB2   GLN   30   2.82 +/- 0.20  99.725% * 99.3287% (1.00   5.77 154.16) =  99.999%  kept
          HB3   ASN   28 - HB2   GLN   30   7.65 +/- 0.68   0.273% *  0.3176% (0.92   0.02   6.57) =   0.001%
          QE    LYS+ 121 - HB2   GLN   30  19.28 +/- 1.17   0.001% *  0.2363% (0.69   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   GLN   30  20.40 +/- 1.27   0.001% *  0.1174% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 5.23, residual support = 154.2:
    * O T HA    GLN   30 - HB3   GLN   30   2.91 +/- 0.13  99.745% * 98.7405% (1.00   5.23 154.16) = 100.000%  kept
          HB    THR   39 - HB3   GLN   30   9.08 +/- 0.89   0.122% *  0.0942% (0.25   0.02   0.02) =   0.000%
          HB3   SER   37 - HB3   GLN   30   9.59 +/- 0.79   0.082% *  0.0583% (0.15   0.02   0.02) =   0.000%
          QB    SER   13 - HB3   GLN   30  14.58 +/- 2.64   0.038% *  0.1051% (0.28   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   GLN   30  14.44 +/- 1.23   0.009% *  0.2140% (0.57   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLN   30  20.38 +/- 0.43   0.001% *  0.2888% (0.76   0.02   0.02) =   0.000%
          HA    ILE   89 - HB3   GLN   30  17.48 +/- 0.42   0.002% *  0.0583% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB3   GLN   30  24.41 +/- 0.37   0.000% *  0.3746% (0.99   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   GLN   30  22.94 +/- 0.41   0.000% *  0.0662% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 0.984, support = 4.39, residual support = 154.2:
    * O T HB2   GLN   30 - HB3   GLN   30   1.75 +/- 0.00  88.049% * 49.7395% (1.00   4.32 154.16) =  88.204%  kept
      O   HG3   GLN   30 - HB3   GLN   30   2.49 +/- 0.20  11.949% * 49.0158% (0.87   4.91 154.16) =  11.796%  kept
          QB    GLU-  15 - HB3   GLN   30  11.31 +/- 1.18   0.002% *  0.0403% (0.18   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   30  15.02 +/- 0.95   0.000% *  0.2281% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   GLN   30  13.45 +/- 0.40   0.000% *  0.0403% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   GLN   30  17.01 +/- 0.59   0.000% *  0.1120% (0.49   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLN   30  18.43 +/- 0.43   0.000% *  0.1303% (0.57   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLN   30  22.68 +/- 0.77   0.000% *  0.2125% (0.92   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   30  24.11 +/- 0.56   0.000% *  0.2302% (1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLN   30  25.91 +/- 0.57   0.000% *  0.1997% (0.87   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   30  24.97 +/- 0.34   0.000% *  0.0512% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.65 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 = 5.74, residual support = 154.2:
    * O T HG2   GLN   30 - HB3   GLN   30   2.87 +/- 0.16  99.625% * 99.3245% (1.00   5.74 154.16) =  99.999%  kept
          HB3   ASN   28 - HB3   GLN   30   7.34 +/- 0.56   0.373% *  0.3196% (0.92   0.02   6.57) =   0.001%
          QE    LYS+ 121 - HB3   GLN   30  19.37 +/- 1.28   0.001% *  0.2378% (0.69   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB3   GLN   30  20.58 +/- 1.04   0.001% *  0.1181% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 5.53, residual support = 154.2:
    * O T HA    GLN   30 - HG2   GLN   30   2.36 +/- 0.23  99.896% * 98.8093% (1.00   5.53 154.16) = 100.000%  kept
          QB    SER   13 - HG2   GLN   30  13.01 +/- 2.91   0.063% *  0.0993% (0.28   0.02   0.02) =   0.000%
          HB    THR   39 - HG2   GLN   30  10.06 +/- 0.66   0.020% *  0.0891% (0.25   0.02   0.02) =   0.000%
          HB3   SER   37 - HG2   GLN   30  10.08 +/- 0.60   0.018% *  0.0551% (0.15   0.02   0.02) =   0.000%
          HB3   SER   82 - HG2   GLN   30  15.60 +/- 1.00   0.002% *  0.2023% (0.57   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLN   30  21.33 +/- 0.39   0.000% *  0.2731% (0.76   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG2   GLN   30  25.65 +/- 0.34   0.000% *  0.3541% (0.99   0.02   0.02) =   0.000%
          HA    ILE   89 - HG2   GLN   30  19.61 +/- 0.45   0.000% *  0.0551% (0.15   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLN   30  23.90 +/- 0.37   0.000% *  0.0626% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 221 (2.04, 2.73, 33.78 ppm):
    11 chemical-shift based assignments, quality = 0.876, support = 6.04, residual support = 154.2:
      O T HG3   GLN   30 - HG2   GLN   30   1.75 +/- 0.00  93.913% * 47.1723% (0.87   6.06 154.16) =  93.352%  kept
    * O T HB2   GLN   30 - HG2   GLN   30   2.82 +/- 0.20   6.084% * 51.8564% (1.00   5.77 154.16) =   6.648%  kept
          QB    GLU-  15 - HG2   GLN   30  10.51 +/- 0.90   0.002% *  0.0315% (0.18   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   GLN   30  16.91 +/- 0.78   0.000% *  0.1780% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLN   30  12.74 +/- 0.27   0.001% *  0.0315% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLN   30  17.00 +/- 0.35   0.000% *  0.0874% (0.49   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HG2   GLN   30  19.96 +/- 0.46   0.000% *  0.1017% (0.57   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLN   30  25.06 +/- 0.79   0.000% *  0.1658% (0.92   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLN   30  25.83 +/- 0.42   0.000% *  0.1796% (1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLN   30  26.78 +/- 0.59   0.000% *  0.1558% (0.87   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   GLN   30  27.14 +/- 0.38   0.000% *  0.0400% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 5.74, residual support = 154.1:
    * O T HB3   GLN   30 - HG2   GLN   30   2.87 +/- 0.16  94.374% * 98.1422% (1.00   5.74 154.16) =  99.995%  kept
          QB    LYS+  33 - HG2   GLN   30   4.75 +/- 0.43   5.612% *  0.0853% (0.25   0.02   0.02) =   0.005%
          HB3   LYS+  38 - HG2   GLN   30  15.22 +/- 0.56   0.004% *  0.3236% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   GLN   30  16.78 +/- 0.54   0.002% *  0.1284% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   GLN   30  17.10 +/- 0.73   0.002% *  0.1406% (0.41   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   GLN   30  19.19 +/- 3.02   0.002% *  0.0599% (0.18   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   GLN   30  23.11 +/- 0.36   0.000% *  0.2857% (0.84   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   GLN   30  24.10 +/- 0.50   0.000% *  0.3302% (0.97   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   GLN   30  24.68 +/- 0.33   0.000% *  0.2857% (0.84   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   GLN   30  19.11 +/- 0.61   0.001% *  0.0599% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   GLN   30  21.69 +/- 1.09   0.001% *  0.1056% (0.31   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   GLN   30  25.26 +/- 0.90   0.000% *  0.0528% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 223 (2.73, 2.73, 33.78 ppm):
    1 diagonal assignment:
    *     HG2   GLN   30 - HG2   GLN   30  (1.00)  kept
 
    Peak 224 (3.61, 3.61, 58.19 ppm):
    1 diagonal assignment:
    *     HA    LEU   31 - HA    LEU   31  (1.00)  kept
 
    Peak 225 (1.33, 3.61, 58.19 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.9:
    * O T HB2   LEU   31 - HA    LEU   31   3.02 +/- 0.00  99.443% * 97.5451% (1.00   6.00 231.90) =  99.999%  kept
          HG    LEU   98 - HA    LEU   31   8.53 +/- 1.35   0.347% *  0.1711% (0.53   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HA    LEU   31  10.00 +/- 0.49   0.079% *  0.2716% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   31   9.91 +/- 0.49   0.084% *  0.2361% (0.73   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   31  13.52 +/- 0.54   0.013% *  0.3138% (0.97   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LEU   31  14.57 +/- 0.52   0.008% *  0.2604% (0.80   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   31  13.20 +/- 0.31   0.014% *  0.1337% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LEU   31  16.88 +/- 0.65   0.003% *  0.2916% (0.90   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   31  15.24 +/- 0.21   0.006% *  0.1220% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   31  19.51 +/- 0.50   0.001% *  0.1220% (0.38   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   31  21.68 +/- 0.73   0.001% *  0.2103% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   31  24.56 +/- 0.35   0.000% *  0.3223% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 226 (1.12, 3.61, 58.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.9:
    * O T HB3   LEU   31 - HA    LEU   31   2.43 +/- 0.02  99.975% * 98.9290% (1.00   6.00 231.90) = 100.000%  kept
          QG1   VAL   24 - HA    LEU   31  10.52 +/- 0.43   0.016% *  0.1478% (0.45   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LEU   31  12.25 +/- 0.40   0.006% *  0.2133% (0.65   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LEU   31  21.56 +/- 0.43   0.000% *  0.3290% (1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    LEU   31  16.25 +/- 0.30   0.001% *  0.0578% (0.18   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LEU   31  16.28 +/- 0.29   0.001% *  0.0446% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    LEU   31  20.78 +/- 0.52   0.000% *  0.0917% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    LEU   31  26.82 +/- 0.47   0.000% *  0.1867% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 227 (0.79, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.8, support = 5.96, residual support = 231.6:
    * O T HG    LEU   31 - HA    LEU   31   3.46 +/- 0.31  52.913% * 98.8665% (0.80   5.96 231.90) =  99.892%  kept
          QG1   VAL   41 - HA    LEU   31   3.59 +/- 0.21  44.172% *  0.1033% (0.25   0.02   0.02) =   0.087%
          QD2   LEU   73 - HA    LEU   31   5.76 +/- 0.60   2.911% *  0.3824% (0.92   0.02   1.38) =   0.021%
          QD1   ILE   56 - HA    LEU   31  19.49 +/- 0.30   0.002% *  0.4133% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    LEU   31  19.46 +/- 0.64   0.002% *  0.2345% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 228 (0.00, 3.61, 58.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.83, residual support = 231.9:
    *   T QD1   LEU   31 - HA    LEU   31   3.50 +/- 0.04 100.000% *100.0000% (1.00   4.83 231.90) = 100.000%  kept
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 229 (0.07, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.72, residual support = 231.9:
    *   T QD2   LEU   31 - HA    LEU   31   2.10 +/- 0.48  99.826% * 99.5045% (1.00   5.72 231.90) = 100.000%  kept
          QG2   VAL   83 - HA    LEU   31   8.81 +/- 0.46   0.043% *  0.2527% (0.73   0.02   0.02) =   0.000%
        T QG2   VAL   43 - HA    LEU   31   7.84 +/- 0.57   0.125% *  0.0868% (0.25   0.02   0.02) =   0.000%
          QD1   ILE   89 - HA    LEU   31  12.59 +/- 0.24   0.006% *  0.1560% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 2 structures by 0.03 A, kept.
 
    Peak 230 (3.61, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 231.9:
    * O T HA    LEU   31 - HB2   LEU   31   3.02 +/- 0.00 100.000% *100.0000% (1.00   6.00 231.90) = 100.000%  kept
    Distance limit 3.93 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 = 231.9:
    * O T HB3   LEU   31 - HB2   LEU   31   1.75 +/- 0.00  99.992% * 98.9290% (1.00   6.00 231.90) = 100.000%  kept
          QG1   VAL   24 - HB2   LEU   31   8.75 +/- 0.39   0.007% *  0.1478% (0.45   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LEU   31  12.98 +/- 0.36   0.001% *  0.2133% (0.65   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   LEU   31  17.47 +/- 0.47   0.000% *  0.0578% (0.18   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LEU   31  23.75 +/- 0.59   0.000% *  0.3290% (1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HB2   LEU   31  17.29 +/- 0.42   0.000% *  0.0446% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB2   LEU   31  22.94 +/- 0.64   0.000% *  0.0917% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   LEU   31  28.55 +/- 0.59   0.000% *  0.1867% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 233 (0.79, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 6.01, residual support = 231.9:
    * O T HG    LEU   31 - HB2   LEU   31   2.34 +/- 0.21  99.103% * 98.8749% (0.80   6.01 231.90) =  99.999%  kept
          QG1   VAL   41 - HB2   LEU   31   5.68 +/- 0.29   0.748% *  0.1025% (0.25   0.02   0.02) =   0.001%
          QD2   LEU   73 - HB2   LEU   31   7.57 +/- 0.53   0.149% *  0.3795% (0.92   0.02   1.38) =   0.001%
          QD1   ILE   56 - HB2   LEU   31  20.68 +/- 0.41   0.000% *  0.4102% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB2   LEU   31  21.62 +/- 0.79   0.000% *  0.2328% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 234 (0.00, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.87, residual support = 231.9:
    * O T QD1   LEU   31 - HB2   LEU   31   2.73 +/- 0.03 100.000% *100.0000% (1.00   4.87 231.90) = 100.000%  kept
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 235 (0.07, 1.33, 40.94 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.9:
    * O T QD2   LEU   31 - HB2   LEU   31   3.03 +/- 0.30  99.308% * 99.5083% (1.00   5.76 231.90) =  99.999%  kept
          QG2   VAL   83 - HB2   LEU   31   7.69 +/- 0.41   0.434% *  0.2508% (0.73   0.02   0.02) =   0.001%
        T QG2   VAL   43 - HB2   LEU   31   8.53 +/- 0.65   0.237% *  0.0861% (0.25   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB2   LEU   31  12.59 +/- 0.34   0.021% *  0.1548% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 231.9:
    * O T HA    LEU   31 - HB3   LEU   31   2.43 +/- 0.02 100.000% *100.0000% (1.00   6.00 231.90) = 100.000%  kept
    Distance limit 3.60 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 = 231.9:
    * O T HB2   LEU   31 - HB3   LEU   31   1.75 +/- 0.00  99.978% * 97.5451% (1.00   6.00 231.90) = 100.000%  kept
          HG    LEU   98 - HB3   LEU   31   8.07 +/- 1.07   0.015% *  0.1711% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   31  10.58 +/- 0.49   0.002% *  0.2716% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   31  10.48 +/- 0.55   0.002% *  0.2361% (0.73   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   31  13.22 +/- 0.69   0.001% *  0.3138% (0.97   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   31  12.64 +/- 0.38   0.001% *  0.1337% (0.41   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LEU   31  15.49 +/- 0.72   0.000% *  0.2604% (0.80   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   31  14.16 +/- 0.25   0.000% *  0.1220% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LEU   31  18.23 +/- 0.80   0.000% *  0.2916% (0.90   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   31  19.93 +/- 0.63   0.000% *  0.1220% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   31  24.38 +/- 0.50   0.000% *  0.3223% (0.99   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   31  22.81 +/- 0.78   0.000% *  0.2103% (0.65   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 238 (1.12, 1.12, 40.94 ppm):
    1 diagonal assignment:
    *     HB3   LEU   31 - HB3   LEU   31  (1.00)  kept
 
    Peak 239 (0.79, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 6.0, residual support = 231.9:
    * O T HG    LEU   31 - HB3   LEU   31   2.93 +/- 0.07  90.654% * 98.8745% (0.80   6.00 231.90) =  99.988%  kept
          QG1   VAL   41 - HB3   LEU   31   4.39 +/- 0.39   8.955% *  0.1026% (0.25   0.02   0.02) =   0.010%
        T QD2   LEU   73 - HB3   LEU   31   7.41 +/- 0.64   0.389% *  0.3797% (0.92   0.02   1.38) =   0.002%
          QD1   ILE   56 - HB3   LEU   31  19.97 +/- 0.46   0.001% *  0.4104% (1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB3   LEU   31  20.04 +/- 0.81   0.001% *  0.2329% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 240 (0.00, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.87, residual support = 231.9:
    * O T QD1   LEU   31 - HB3   LEU   31   2.07 +/- 0.04 100.000% *100.0000% (1.00   4.87 231.90) = 100.000%  kept
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 241 (0.07, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.9:
    * O T QD2   LEU   31 - HB3   LEU   31   2.79 +/- 0.11  99.601% * 99.5081% (1.00   5.76 231.90) =  99.999%  kept
          QG2   VAL   83 - HB3   LEU   31   8.00 +/- 0.45   0.192% *  0.2509% (0.73   0.02   0.02) =   0.000%
        T QG2   VAL   43 - HB3   LEU   31   8.25 +/- 0.70   0.191% *  0.0861% (0.25   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB3   LEU   31  12.11 +/- 0.33   0.016% *  0.1549% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 5.96, residual support = 231.9:
    * O T HA    LEU   31 - HG    LEU   31   3.46 +/- 0.31 100.000% *100.0000% (0.80   5.96 231.90) = 100.000%  kept
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 243 (1.33, 0.79, 27.16 ppm):
    12 chemical-shift based assignments, quality = 0.801, support = 6.01, residual support = 231.9:
    * O T HB2   LEU   31 - HG    LEU   31   2.34 +/- 0.21  99.916% * 97.5477% (0.80   6.01 231.90) = 100.000%  kept
          HG    LEU   98 - HG    LEU   31   9.22 +/- 0.97   0.040% *  0.1709% (0.42   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   31  10.53 +/- 0.59   0.014% *  0.3135% (0.77   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   31  12.77 +/- 0.68   0.006% *  0.2713% (0.67   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   31  10.82 +/- 0.34   0.011% *  0.1335% (0.33   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   31  13.06 +/- 0.50   0.004% *  0.2359% (0.58   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG    LEU   31  14.26 +/- 0.83   0.003% *  0.2601% (0.64   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   31  13.43 +/- 0.19   0.003% *  0.1219% (0.30   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG    LEU   31  17.66 +/- 0.98   0.001% *  0.2913% (0.72   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   31  18.51 +/- 0.65   0.001% *  0.1219% (0.30   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   31  23.76 +/- 0.52   0.000% *  0.3219% (0.79   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   31  23.57 +/- 0.88   0.000% *  0.2101% (0.52   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (1.12, 0.79, 27.16 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 6.0, residual support = 231.9:
    * O T HB3   LEU   31 - HG    LEU   31   2.93 +/- 0.07  99.619% * 98.9298% (0.80   6.00 231.90) =  99.999%  kept
          QG1   VAL   24 - HG    LEU   31   7.81 +/- 0.76   0.344% *  0.1477% (0.36   0.02   0.02) =   0.001%
          QB    ALA   20 - HG    LEU   31  11.52 +/- 0.50   0.028% *  0.2132% (0.52   0.02   0.02) =   0.000%
          QG1   VAL  107 - HG    LEU   31  16.30 +/- 0.61   0.003% *  0.0577% (0.14   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG    LEU   31  15.91 +/- 0.51   0.004% *  0.0446% (0.11   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG    LEU   31  22.36 +/- 0.89   0.001% *  0.3288% (0.80   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HG    LEU   31  22.31 +/- 0.92   0.001% *  0.0916% (0.22   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG    LEU   31  26.84 +/- 0.77   0.000% *  0.1866% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 4.98, residual support = 231.9:
    * O T QD1   LEU   31 - HG    LEU   31   2.11 +/- 0.01 100.000% *100.0000% (0.80   4.98 231.90) = 100.000%  kept
    Distance limit 3.57 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 = 231.9:
    * O T QD2   LEU   31 - HG    LEU   31   2.12 +/- 0.01  99.690% * 99.5176% (0.80   5.88 231.90) =  99.999%  kept
          QG2   VAL   83 - HG    LEU   31   6.18 +/- 0.54   0.186% *  0.2460% (0.58   0.02   0.02) =   0.000%
        T QG2   VAL   43 - HG    LEU   31   6.76 +/- 0.68   0.119% *  0.0845% (0.20   0.02   0.02) =   0.000%
          QD1   ILE   89 - HG    LEU   31  11.07 +/- 0.27   0.005% *  0.1519% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 4.83, residual support = 231.9:
    *   T HA    LEU   31 - QD1   LEU   31   3.50 +/- 0.04 100.000% *100.0000% (1.00   4.83 231.90) = 100.000%  kept
    Distance limit 4.16 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 = 4.87, residual support = 231.9:
    * O T HB2   LEU   31 - QD1   LEU   31   2.73 +/- 0.03  98.445% * 96.9947% (1.00   4.87 231.90) =  99.996%  kept
          HG    LEU   98 - QD1   LEU   31   5.98 +/- 0.72   1.224% *  0.2094% (0.53   0.02   0.02) =   0.003%
          HB3   LEU   80 - QD1   LEU   31   9.15 +/- 0.72   0.077% *  0.3842% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   31   9.68 +/- 0.45   0.052% *  0.3325% (0.84   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   31   8.66 +/- 0.34   0.099% *  0.1636% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   31  10.55 +/- 0.53   0.031% *  0.2891% (0.73   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU   31  11.51 +/- 0.73   0.019% *  0.3187% (0.80   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   31   9.99 +/- 0.18   0.041% *  0.1494% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD1   LEU   31  14.38 +/- 0.76   0.005% *  0.3570% (0.90   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   31  14.80 +/- 0.59   0.004% *  0.1494% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   31  18.51 +/- 0.46   0.001% *  0.3945% (0.99   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   31  19.11 +/- 0.68   0.001% *  0.2575% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 250 (1.12, 0.00, 23.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 231.9:
    * O T HB3   LEU   31 - QD1   LEU   31   2.07 +/- 0.04  99.916% * 98.6842% (1.00   4.87 231.90) = 100.000%  kept
          QG1   VAL   24 - QD1   LEU   31   7.09 +/- 0.60   0.074% *  0.1816% (0.45   0.02   0.02) =   0.000%
          QB    ALA   20 - QD1   LEU   31  10.70 +/- 0.46   0.005% *  0.2621% (0.65   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD1   LEU   31  12.53 +/- 0.48   0.002% *  0.0710% (0.18   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   LEU   31  12.31 +/- 0.43   0.002% *  0.0548% (0.14   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD1   LEU   31  17.89 +/- 0.70   0.000% *  0.4043% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   LEU   31  17.35 +/- 0.63   0.000% *  0.1126% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   LEU   31  21.57 +/- 0.63   0.000% *  0.2294% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 4.98, residual support = 231.9:
    * O T HG    LEU   31 - QD1   LEU   31   2.11 +/- 0.01  97.787% * 98.6464% (0.80   4.98 231.90) =  99.996%  kept
          QG1   VAL   41 - QD1   LEU   31   4.16 +/- 0.33   1.972% *  0.1233% (0.25   0.02   0.02) =   0.003%
          QD2   LEU   73 - QD1   LEU   31   6.04 +/- 0.63   0.239% *  0.4566% (0.92   0.02   1.38) =   0.001%
          QD1   ILE   56 - QD1   LEU   31  15.31 +/- 0.45   0.001% *  0.4936% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD1   LEU   31  16.28 +/- 0.75   0.000% *  0.2801% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 252 (0.00, 0.00, 23.44 ppm):
    1 diagonal assignment:
    *     QD1   LEU   31 - QD1   LEU   31  (1.00)  kept
 
    Peak 253 (0.07, 0.00, 23.44 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 231.9:
    * O T QD2   LEU   31 - QD1   LEU   31   2.06 +/- 0.02  98.815% * 99.3876% (1.00   4.62 231.90) =  99.997%  kept
          QG2   VAL   83 - QD1   LEU   31   4.82 +/- 0.42   0.688% *  0.3123% (0.73   0.02   0.02) =   0.002%
        T QG2   VAL   43 - QD1   LEU   31   5.36 +/- 0.69   0.472% *  0.1072% (0.25   0.02   0.02) =   0.001%
          QD1   ILE   89 - QD1   LEU   31   8.26 +/- 0.28   0.024% *  0.1928% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 254 (3.61, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.72, residual support = 231.9:
    *   T HA    LEU   31 - QD2   LEU   31   2.10 +/- 0.48  99.875% * 99.9763% (1.00   5.72 231.90) = 100.000%  kept
        T HA    LEU   31 - QG2   VAL   43   7.84 +/- 0.57   0.125% *  0.0237% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 2 structures by 0.02 A, kept.
 
    Peak 255 (1.33, 0.07, 21.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.9:
    * O T HB2   LEU   31 - QD2   LEU   31   3.03 +/- 0.30  90.719% * 97.2562% (1.00   5.76 231.90) =  99.994%  kept
          HG    LEU   98 - QD2   LEU   31   6.65 +/- 1.09   1.670% *  0.1776% (0.53   0.02   0.02) =   0.003%
          HB3   ASP-  44 - QG2   VAL   43   5.33 +/- 0.26   3.535% *  0.0183% (0.05   0.02  15.63) =   0.001%
          HB3   LEU   80 - QD2   LEU   31   9.10 +/- 0.67   0.133% *  0.3258% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD2   LEU   31   9.43 +/- 0.66   0.126% *  0.2819% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD2   LEU   31  10.22 +/- 0.71   0.078% *  0.2451% (0.73   0.02   0.02) =   0.000%
        T QB    ALA   84 - QD2   LEU   31   9.08 +/- 0.33   0.134% *  0.1388% (0.41   0.02   0.02) =   0.000%
          HB3   LEU   80 - QG2   VAL   43   6.99 +/- 0.79   0.750% *  0.0220% (0.07   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD2   LEU   31  10.61 +/- 0.46   0.058% *  0.2703% (0.80   0.02   0.02) =   0.000%
          QB    ALA   84 - QG2   VAL   43   6.14 +/- 0.40   1.528% *  0.0094% (0.03   0.02   0.02) =   0.000%
          HG    LEU   98 - QG2   VAL   43   7.84 +/- 0.96   0.464% *  0.0120% (0.04   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   31  11.17 +/- 0.15   0.039% *  0.1267% (0.38   0.02   0.02) =   0.000%
        T HB2   LEU   31 - QG2   VAL   43   8.53 +/- 0.65   0.216% *  0.0228% (0.07   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD2   LEU   31  13.19 +/- 0.64   0.016% *  0.3027% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   63 - QG2   VAL   43   9.39 +/- 0.56   0.122% *  0.0205% (0.06   0.02   0.02) =   0.000%
          HB3   PRO   93 - QG2   VAL   43   8.58 +/- 0.37   0.199% *  0.0086% (0.03   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   43   8.89 +/- 0.42   0.159% *  0.0086% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   31  14.41 +/- 0.45   0.009% *  0.1267% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   31  18.87 +/- 0.32   0.002% *  0.3346% (0.99   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   31  18.29 +/- 0.78   0.002% *  0.2184% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   VAL   43  12.33 +/- 0.43   0.022% *  0.0191% (0.06   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QG2   VAL   43  14.14 +/- 0.39   0.010% *  0.0226% (0.07   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   VAL   43  15.00 +/- 0.48   0.007% *  0.0166% (0.05   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   VAL   43  17.24 +/- 0.46   0.003% *  0.0148% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 256 (1.12, 0.07, 21.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.9:
    * O T HB3   LEU   31 - QD2   LEU   31   2.79 +/- 0.11  98.616% * 98.7875% (1.00   5.76 231.90) =  99.999%  kept
          QG1   VAL   24 - QD2   LEU   31   7.46 +/- 0.55   0.349% *  0.1538% (0.45   0.02   0.02) =   0.001%
          QB    ALA   20 - QD2   LEU   31   9.11 +/- 0.33   0.088% *  0.2219% (0.65   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   43   7.38 +/- 0.35   0.308% *  0.0150% (0.04   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QG2   VAL   43   8.25 +/- 0.70   0.188% *  0.0232% (0.07   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   VAL   43   8.36 +/- 0.82   0.179% *  0.0104% (0.03   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD2   LEU   31  12.56 +/- 0.27   0.012% *  0.0601% (0.18   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   31  17.13 +/- 0.48   0.002% *  0.3422% (1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   31  12.31 +/- 0.29   0.014% *  0.0464% (0.14   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   43   8.34 +/- 0.32   0.149% *  0.0031% (0.01   0.02   0.02) =   0.000%
          QG1   VAL  107 - QG2   VAL   43   9.29 +/- 0.26   0.078% *  0.0041% (0.01   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   43  13.26 +/- 0.31   0.009% *  0.0232% (0.07   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD2   LEU   31  17.15 +/- 0.45   0.002% *  0.0954% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD2   LEU   31  21.04 +/- 0.49   0.001% *  0.1942% (0.57   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   VAL   43  16.02 +/- 0.42   0.003% *  0.0131% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   43  15.55 +/- 0.33   0.004% *  0.0065% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 257 (0.79, 0.07, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.87, residual support = 231.9:
    * O T HG    LEU   31 - QD2   LEU   31   2.12 +/- 0.01  87.501% * 98.7507% (0.80   5.88 231.90) =  99.983%  kept
          QG1   VAL   41 - QD2   LEU   31   3.47 +/- 0.64   6.752% *  0.1047% (0.25   0.02   0.02) =   0.008%
          QD2   LEU   73 - QD2   LEU   31   4.24 +/- 0.40   1.662% *  0.3875% (0.92   0.02   1.38) =   0.007%
          QD2   LEU   73 - QG2   VAL   43   4.23 +/- 0.63   3.869% *  0.0262% (0.06   0.02   9.57) =   0.001%
        T HG    LEU   31 - QG2   VAL   43   6.76 +/- 0.68   0.105% *  0.0228% (0.05   0.02   0.02) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   6.63 +/- 0.37   0.103% *  0.0071% (0.02   0.02   2.98) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  14.94 +/- 0.35   0.001% *  0.4189% (1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.41 +/- 0.32   0.006% *  0.0283% (0.07   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD2   LEU   31  16.05 +/- 0.55   0.000% *  0.2377% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   VAL   43  14.58 +/- 0.59   0.001% *  0.0161% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 231.9:
    * O T QD1   LEU   31 - QD2   LEU   31   2.06 +/- 0.02  99.525% * 99.9707% (1.00   4.62 231.90) = 100.000%  kept
        T QD1   LEU   31 - QG2   VAL   43   5.36 +/- 0.69   0.475% *  0.0293% (0.07   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 259 (0.07, 0.07, 21.81 ppm):
    2 diagonal assignments:
    *     QD2   LEU   31 - QD2   LEU   31  (1.00)  kept
          QG2   VAL   43 - QG2   VAL   43  (0.02)  kept
 
    Peak 260 (4.00, 4.00, 59.42 ppm):
    3 diagonal assignments:
          HA    LYS+  33 - HA    LYS+  33  (0.54)  kept
    *     HA    GLN   32 - HA    GLN   32  (0.47)  kept
          HA    GLU-  29 - HA    GLU-  29  (0.40)  kept
 
    Peak 261 (2.11, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.687, support = 3.06, residual support = 41.6:
    * O T QB    GLN   32 - HA    GLN   32   2.37 +/- 0.11  72.357% * 37.1419% (0.69   2.96  43.42) =  93.919%  kept
        T QB    GLN   32 - HA    LYS+  33   4.21 +/- 0.27   2.809% * 60.4966% (0.71   4.68  13.37) =   5.939%  kept
        T QB    GLN   32 - HA    GLU-  29   2.85 +/- 0.22  24.801% *  0.1635% (0.45   0.02   0.02) =   0.142%
          HB    VAL   24 - HA    GLU-  29  10.15 +/- 0.34   0.012% *  0.1620% (0.44   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLN   32  11.50 +/- 0.71   0.006% *  0.2011% (0.55   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    LYS+  33  12.04 +/- 0.77   0.005% *  0.2070% (0.57   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    GLN   32  13.39 +/- 0.31   0.002% *  0.2490% (0.68   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    LYS+  33  16.03 +/- 0.30   0.001% *  0.2562% (0.70   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    LYS+  33  13.32 +/- 1.67   0.003% *  0.0399% (0.11   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    LYS+  33  17.33 +/- 0.43   0.000% *  0.2386% (0.65   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  29  16.45 +/- 0.73   0.001% *  0.1309% (0.36   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLN   32  20.56 +/- 0.46   0.000% *  0.2319% (0.63   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLU-  29  15.64 +/- 1.56   0.001% *  0.0252% (0.07   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLN   32  17.28 +/- 1.65   0.001% *  0.0388% (0.11   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  29  21.42 +/- 0.40   0.000% *  0.1509% (0.41   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLN   32  28.39 +/- 0.41   0.000% *  0.0497% (0.14   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    LYS+  33  29.42 +/- 0.28   0.000% *  0.0512% (0.14   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    LYS+  33  29.47 +/- 0.35   0.000% *  0.0512% (0.14   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLU-  29  27.38 +/- 0.34   0.000% *  0.0324% (0.09   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLN   32  30.01 +/- 0.43   0.000% *  0.0497% (0.14   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLU-  29  29.92 +/- 0.33   0.000% *  0.0324% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 0.69, support = 3.27, residual support = 38.8:
    * O T QG    GLN   32 - HA    GLN   32   2.48 +/- 0.20  82.204% * 39.9799% (0.69   3.07  43.42) =  84.587%  kept
        T QG    GLN   32 - HA    LYS+  33   4.41 +/- 1.13  10.271% * 58.1804% (0.71   4.35  13.37) =  15.380%  kept
        T QG    GLN   32 - HA    GLU-  29   4.06 +/- 0.70   7.505% *  0.1694% (0.45   0.02   0.02) =   0.033%
        T HB2   GLU- 100 - HA    GLN   32  11.49 +/- 0.69   0.010% *  0.0724% (0.19   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    LYS+  33  12.89 +/- 0.68   0.005% *  0.0745% (0.20   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU-  29  14.73 +/- 0.88   0.002% *  0.1469% (0.39   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN   32  18.19 +/- 0.90   0.001% *  0.2257% (0.60   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  33  19.26 +/- 0.81   0.000% *  0.2323% (0.61   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLU-  29  16.70 +/- 0.71   0.001% *  0.0471% (0.12   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  22.00 +/- 0.47   0.000% *  0.1578% (0.42   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.07 +/- 0.22   0.000% *  0.1624% (0.43   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  20.16 +/- 0.48   0.000% *  0.0579% (0.15   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  19.16 +/- 0.34   0.000% *  0.0377% (0.10   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.42 +/- 0.46   0.000% *  0.1027% (0.27   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  21.69 +/- 0.32   0.000% *  0.0596% (0.16   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  26.99 +/- 0.41   0.000% *  0.0596% (0.16   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  26.96 +/- 0.51   0.000% *  0.0579% (0.15   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  27.33 +/- 0.41   0.000% *  0.0377% (0.10   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLN   32  30.75 +/- 0.46   0.000% *  0.0515% (0.14   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    LYS+  33  31.12 +/- 0.24   0.000% *  0.0530% (0.14   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    GLU-  29  32.41 +/- 0.40   0.000% *  0.0335% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 263 (4.00, 2.11, 27.95 ppm):
    10 chemical-shift based assignments, quality = 0.69, support = 3.06, residual support = 41.4:
    * O T HA    GLN   32 - QB    GLN   32   2.37 +/- 0.11  72.377% * 35.4832% (0.69   2.96  43.42) =  93.336%  kept
        T HA    LYS+  33 - QB    GLN   32   4.21 +/- 0.27   2.810% * 62.4842% (0.76   4.68  13.37) =   6.381%  kept
        T HA    GLU-  29 - QB    GLN   32   2.85 +/- 0.22  24.807% *  0.3133% (0.90   0.02   0.02) =   0.282%
          HA    VAL   18 - QB    GLN   32  14.69 +/- 0.43   0.001% *  0.3225% (0.92   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    GLN   32  15.19 +/- 0.92   0.001% *  0.3372% (0.97   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    GLN   32  13.25 +/- 0.26   0.002% *  0.1566% (0.45   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    GLN   32  19.67 +/- 0.49   0.000% *  0.2537% (0.73   0.02   0.02) =   0.000%
          HA    SER   48 - QB    GLN   32  23.35 +/- 0.49   0.000% *  0.3225% (0.92   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    GLN   32  26.17 +/- 0.37   0.000% *  0.1701% (0.49   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    GLN   32  27.13 +/- 0.35   0.000% *  0.1566% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 43.4:
    * O T QG    GLN   32 - QB    GLN   32   2.10 +/- 0.03  99.997% * 98.5162% (1.00   3.18  43.42) = 100.000%  kept
          HB2   GLU- 100 - QB    GLN   32  12.51 +/- 0.62   0.002% *  0.1722% (0.28   0.02   0.02) =   0.000%
          QG    GLU-  79 - QB    GLN   32  15.36 +/- 0.68   0.001% *  0.5374% (0.87   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLN   32  20.87 +/- 0.39   0.000% *  0.3758% (0.61   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLN   32  18.29 +/- 0.41   0.000% *  0.1379% (0.22   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLN   32  24.81 +/- 0.38   0.000% *  0.1379% (0.22   0.02   0.02) =   0.000%
          HB2   GLN  116 - QB    GLN   32  28.75 +/- 0.36   0.000% *  0.1226% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 0.699, support = 3.28, residual support = 38.5:
    * O T HA    GLN   32 - QG    GLN   32   2.48 +/- 0.20  82.214% * 38.0454% (0.69   3.07  43.42) =  83.517%  kept
        T HA    LYS+  33 - QG    GLN   32   4.41 +/- 1.13  10.273% * 59.8573% (0.76   4.35  13.37) =  16.418%  kept
        T HA    GLU-  29 - QG    GLN   32   4.06 +/- 0.70   7.506% *  0.3233% (0.90   0.02   0.02) =   0.065%
          HA    VAL   70 - QG    GLN   32  13.64 +/- 0.62   0.003% *  0.1616% (0.45   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    GLN   32  15.54 +/- 0.61   0.002% *  0.3328% (0.92   0.02   0.02) =   0.000%
          HB2   SER   82 - QG    GLN   32  15.87 +/- 1.73   0.001% *  0.3479% (0.97   0.02   0.02) =   0.000%
          HA    ALA   88 - QG    GLN   32  20.21 +/- 1.39   0.000% *  0.2618% (0.73   0.02   0.02) =   0.000%
          HA    SER   48 - QG    GLN   32  24.27 +/- 1.20   0.000% *  0.3328% (0.92   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG    GLN   32  27.00 +/- 1.07   0.000% *  0.1755% (0.49   0.02   0.02) =   0.000%
        T HA    GLN  116 - QG    GLN   32  27.62 +/- 0.59   0.000% *  0.1616% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 43.4:
    * O T QB    GLN   32 - QG    GLN   32   2.10 +/- 0.03  99.992% * 97.9881% (1.00   3.18  43.42) = 100.000%  kept
          HB    VAL   24 - QG    GLN   32  11.90 +/- 1.47   0.004% *  0.6107% (0.99   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QG    GLN   32  12.20 +/- 0.72   0.003% *  0.4934% (0.80   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLN   32  19.29 +/- 0.84   0.000% *  0.5688% (0.92   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG    GLN   32  15.24 +/- 1.63   0.001% *  0.0951% (0.15   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLN   32  26.46 +/- 1.07   0.000% *  0.1219% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLN   32  28.10 +/- 0.65   0.000% *  0.1219% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 268 (2.39, 2.39, 33.78 ppm):
    1 diagonal assignment:
    *     QG    GLN   32 - QG    GLN   32  (1.00)  kept
 
    Peak 269 (4.01, 4.01, 59.34 ppm):
    3 diagonal assignments:
    *     HA    LYS+  33 - HA    LYS+  33  (1.00)  kept
          HA    GLU-  29 - HA    GLU-  29  (0.27)  kept
          HA    GLN   32 - HA    GLN   32  (0.07)  kept
 
    Peak 270 (1.86, 4.01, 59.34 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 6.48, residual support = 156.5:
    * O T QB    LYS+  33 - HA    LYS+  33   2.20 +/- 0.03  98.597% * 95.9289% (1.00   6.48 156.51) =  99.999%  kept
        T QB    LYS+  33 - HA    GLU-  29   5.52 +/- 0.70   0.510% *  0.0827% (0.28   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HA    GLN   32   5.32 +/- 0.20   0.499% *  0.0762% (0.26   0.02  13.37) =   0.000%
          HB3   GLN   30 - HA    GLU-  29   6.05 +/- 0.41   0.249% *  0.0206% (0.07   0.02  23.85) =   0.000%
          HB3   GLN   30 - HA    LYS+  33   7.68 +/- 0.44   0.059% *  0.0739% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+  33   9.41 +/- 0.34   0.017% *  0.1218% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   32   7.63 +/- 0.11   0.057% *  0.0190% (0.06   0.02   1.50) =   0.000%
          HB3   LYS+  38 - HA    GLN   32  10.93 +/- 0.31   0.007% *  0.0313% (0.11   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  33  18.28 +/- 0.53   0.000% *  0.2802% (0.95   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  33  18.46 +/- 0.61   0.000% *  0.2802% (0.95   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+  33  18.49 +/- 0.40   0.000% *  0.2735% (0.92   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   32  15.64 +/- 0.61   0.001% *  0.0721% (0.24   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  33  19.67 +/- 0.28   0.000% *  0.2904% (0.98   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   32  16.66 +/- 0.55   0.001% *  0.0721% (0.24   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    GLU-  29  17.15 +/- 0.46   0.000% *  0.0798% (0.27   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LYS+  33  21.84 +/- 0.38   0.000% *  0.2859% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLU-  29  15.51 +/- 0.28   0.001% *  0.0340% (0.11   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU-  29  18.61 +/- 0.64   0.000% *  0.0782% (0.26   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   32  18.82 +/- 0.46   0.000% *  0.0747% (0.25   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU-  29  19.13 +/- 0.74   0.000% *  0.0782% (0.26   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    GLN   32  19.48 +/- 0.46   0.000% *  0.0735% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  33  26.75 +/- 0.93   0.000% *  0.2936% (0.99   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU-  29  21.55 +/- 0.60   0.000% *  0.0811% (0.27   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   32  21.50 +/- 0.45   0.000% *  0.0703% (0.24   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU-  29  23.00 +/- 1.14   0.000% *  0.0820% (0.28   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU-  29  22.84 +/- 0.37   0.000% *  0.0763% (0.26   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   32  24.14 +/- 1.02   0.000% *  0.0755% (0.25   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  33  27.85 +/- 0.31   0.000% *  0.1677% (0.57   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+  33  31.32 +/- 0.74   0.000% *  0.2859% (0.97   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  33  28.31 +/- 0.88   0.000% *  0.0739% (0.25   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU-  29  27.21 +/- 0.32   0.000% *  0.0468% (0.16   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU-  29  29.85 +/- 0.94   0.000% *  0.0798% (0.27   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   32  27.44 +/- 0.41   0.000% *  0.0431% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  33  28.94 +/- 0.43   0.000% *  0.0457% (0.15   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   32  31.41 +/- 0.82   0.000% *  0.0735% (0.25   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  33  31.78 +/- 0.27   0.000% *  0.0739% (0.25   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  29  26.75 +/- 0.50   0.000% *  0.0128% (0.04   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLN   32  29.25 +/- 0.84   0.000% *  0.0190% (0.06   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   32  27.15 +/- 0.53   0.000% *  0.0118% (0.04   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLU-  29  30.07 +/- 0.34   0.000% *  0.0206% (0.07   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLN   32  30.83 +/- 0.39   0.000% *  0.0190% (0.06   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLU-  29  31.45 +/- 0.79   0.000% *  0.0206% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 1.0, support = 6.28, residual support = 156.5:
    * O T HG3   LYS+  33 - HA    LYS+  33   3.08 +/- 0.25  93.488% * 95.9713% (1.00   6.28 156.51) =  99.994%  kept
        T HG3   LYS+  33 - HA    GLU-  29   7.24 +/- 1.66   3.579% *  0.0854% (0.28   0.02   0.02) =   0.003%
        T HG3   LYS+  33 - HA    GLN   32   6.39 +/- 0.81   2.439% *  0.0786% (0.26   0.02  13.37) =   0.002%
          QB    LEU   98 - HA    LYS+  33  11.14 +/- 0.32   0.045% *  0.1609% (0.53   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  33  12.38 +/- 0.36   0.024% *  0.2951% (0.97   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLN   32   9.35 +/- 0.44   0.130% *  0.0414% (0.14   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLU-  29  10.86 +/- 0.47   0.051% *  0.0824% (0.27   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  33  14.72 +/- 2.62   0.014% *  0.2449% (0.80   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  33  14.21 +/- 0.27   0.010% *  0.3031% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLN   32  12.25 +/- 0.55   0.027% *  0.0759% (0.25   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+  33  16.88 +/- 1.30   0.004% *  0.2893% (0.95   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLU-  29  12.31 +/- 0.50   0.024% *  0.0449% (0.15   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLN   32  14.39 +/- 1.52   0.013% *  0.0744% (0.24   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  33  13.78 +/- 1.59   0.016% *  0.0472% (0.15   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLN   32  14.74 +/- 0.46   0.008% *  0.0779% (0.25   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLN   32  11.72 +/- 1.34   0.041% *  0.0121% (0.04   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  29  16.05 +/- 0.32   0.005% *  0.0846% (0.28   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLU-  29  16.95 +/- 2.25   0.005% *  0.0684% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  33  20.50 +/- 0.76   0.001% *  0.2449% (0.80   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  33  17.34 +/- 0.45   0.003% *  0.0850% (0.28   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+  33  21.89 +/- 0.90   0.001% *  0.3031% (0.99   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLU-  29  13.18 +/- 0.57   0.016% *  0.0132% (0.04   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLN   32  18.26 +/- 2.50   0.003% *  0.0630% (0.21   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLU-  29  15.13 +/- 0.43   0.007% *  0.0237% (0.08   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  33  18.00 +/- 0.29   0.002% *  0.0681% (0.22   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLU-  29  14.60 +/- 0.26   0.009% *  0.0190% (0.06   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLU-  29  19.16 +/- 1.59   0.002% *  0.0808% (0.26   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLN   32  18.54 +/- 0.75   0.002% *  0.0630% (0.21   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU-  29  14.83 +/- 1.20   0.009% *  0.0132% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  33  18.07 +/- 0.57   0.002% *  0.0472% (0.15   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLN   32  15.95 +/- 0.39   0.005% *  0.0175% (0.06   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLN   32  15.89 +/- 0.75   0.005% *  0.0121% (0.04   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLU-  29  21.24 +/- 0.90   0.001% *  0.0684% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLN   32  17.68 +/- 0.56   0.003% *  0.0219% (0.07   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LYS+  33  22.15 +/- 0.85   0.001% *  0.0763% (0.25   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLU-  29  23.88 +/- 1.08   0.000% *  0.0846% (0.28   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLN   32  24.13 +/- 0.95   0.000% *  0.0779% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  33  24.99 +/- 0.46   0.000% *  0.0763% (0.25   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  33  32.84 +/- 0.27   0.000% *  0.2743% (0.90   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLN   32  21.89 +/- 0.80   0.001% *  0.0196% (0.06   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  29  23.87 +/- 0.44   0.000% *  0.0213% (0.07   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLN   32  24.15 +/- 0.55   0.000% *  0.0196% (0.06   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLU-  29  25.07 +/- 0.79   0.000% *  0.0213% (0.07   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLN   32  32.25 +/- 0.43   0.000% *  0.0705% (0.23   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  29  33.05 +/- 0.34   0.000% *  0.0766% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 273 (1.63, 4.01, 59.34 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.04, residual support = 156.5:
    *   T QD    LYS+  33 - HA    LYS+  33   3.53 +/- 0.62  95.510% * 97.6896% (1.00   5.04 156.51) =  99.995%  kept
        T QD    LYS+  33 - HA    GLU-  29   6.77 +/- 1.18   2.729% *  0.1083% (0.28   0.02   0.02) =   0.003%
        T QD    LYS+  33 - HA    GLN   32   7.05 +/- 0.95   1.735% *  0.0997% (0.26   0.02  13.37) =   0.002%
          HD2   LYS+  74 - HA    LYS+  33  19.08 +/- 0.58   0.005% *  0.2196% (0.57   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLU-  29  17.23 +/- 0.47   0.010% *  0.0613% (0.16   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  33  22.86 +/- 0.44   0.002% *  0.3364% (0.87   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLN   32  19.26 +/- 0.51   0.005% *  0.0565% (0.15   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLU-  29  22.36 +/- 0.43   0.002% *  0.0939% (0.24   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  33  28.39 +/- 0.59   0.000% *  0.3878% (1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLN   32  23.28 +/- 0.46   0.002% *  0.0865% (0.22   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  33  32.20 +/- 0.37   0.000% *  0.3478% (0.90   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLN   32  29.52 +/- 0.65   0.000% *  0.0997% (0.26   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLN   32  30.60 +/- 0.53   0.000% *  0.0895% (0.23   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLU-  29  32.03 +/- 0.60   0.000% *  0.1083% (0.28   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLU-  29  31.89 +/- 0.50   0.000% *  0.0971% (0.25   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LYS+  33  32.65 +/- 0.53   0.000% *  0.0768% (0.20   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLU-  29  31.11 +/- 0.53   0.000% *  0.0214% (0.06   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   32  32.68 +/- 0.55   0.000% *  0.0197% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 274 (2.92, 4.01, 59.34 ppm):
    24 chemical-shift based assignments, quality = 0.869, support = 5.32, residual support = 134.7:
    *   T QE    LYS+  33 - HA    LYS+  33   3.82 +/- 0.68  20.364% * 77.3415% (1.00   5.71 156.51) =  84.551%  kept
        T HB2   ASN   35 - HA    GLN   32   2.87 +/- 0.42  69.855% *  2.6486% (0.09   2.23   6.98) =   9.932%  kept
        T HB2   ASN   28 - HA    GLU-  29   4.46 +/- 0.18   5.589% * 18.3265% (0.27   4.94  31.16) =   5.498%  kept
        T HB2   ASN   35 - HA    LYS+  33   5.55 +/- 0.33   1.371% *  0.0924% (0.34   0.02   0.69) =   0.007%
        T QE    LYS+  33 - HA    GLU-  29   6.16 +/- 1.69   1.596% *  0.0757% (0.28   0.02   0.02) =   0.006%
        T QE    LYS+  33 - HA    GLN   32   6.70 +/- 1.37   0.875% *  0.0697% (0.26   0.02  13.37) =   0.003%
        T HB2   ASN   28 - HA    GLN   32   7.92 +/- 0.25   0.180% *  0.0683% (0.25   0.02   0.02) =   0.001%
        T HB2   ASN   28 - HA    LYS+  33  10.62 +/- 0.39   0.032% *  0.2657% (0.98   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    GLU-  29   8.23 +/- 0.53   0.118% *  0.0258% (0.10   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  29  15.02 +/- 0.58   0.004% *  0.0520% (0.19   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    LYS+  33  14.48 +/- 0.72   0.005% *  0.0418% (0.15   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  33  18.96 +/- 0.46   0.001% *  0.1862% (0.69   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLN   32  15.34 +/- 0.50   0.004% *  0.0479% (0.18   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    LYS+  33  20.88 +/- 1.16   0.001% *  0.2431% (0.90   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  33  25.26 +/- 0.58   0.000% *  0.1753% (0.65   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  33  21.51 +/- 0.56   0.000% *  0.0603% (0.22   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  29  20.79 +/- 0.55   0.001% *  0.0489% (0.18   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLU-  29  17.52 +/- 0.53   0.002% *  0.0168% (0.06   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLU-  29  22.66 +/- 1.34   0.000% *  0.0679% (0.25   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLN   32  23.07 +/- 1.15   0.000% *  0.0625% (0.23   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLN   32  17.42 +/- 0.76   0.002% *  0.0108% (0.04   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLN   32  23.99 +/- 0.65   0.000% *  0.0451% (0.17   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  29  19.60 +/- 0.61   0.001% *  0.0117% (0.04   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLN   32  20.57 +/- 0.65   0.001% *  0.0155% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 275 (4.01, 1.86, 32.27 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.48, residual support = 156.5:
    * O T HA    LYS+  33 - QB    LYS+  33   2.20 +/- 0.03  97.964% * 98.1713% (1.00   6.48 156.51) =  99.997%  kept
        T HA    GLU-  29 - QB    LYS+  33   5.52 +/- 0.70   0.508% *  0.2926% (0.97   0.02   0.02) =   0.002%
          HB2   SER   37 - QB    LYS+  33   5.18 +/- 0.78   1.008% *  0.0675% (0.22   0.02   0.02) =   0.001%
        T HA    GLN   32 - QB    LYS+  33   5.32 +/- 0.20   0.496% *  0.0843% (0.28   0.02  13.37) =   0.000%
          HA    VAL   70 - QB    LYS+  33   9.57 +/- 0.64   0.017% *  0.2630% (0.87   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  33  11.23 +/- 0.57   0.006% *  0.2868% (0.95   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    LYS+  33  17.69 +/- 0.83   0.000% *  0.2719% (0.90   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  33  22.85 +/- 0.42   0.000% *  0.1595% (0.53   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    LYS+  33  24.92 +/- 0.53   0.000% *  0.2630% (0.87   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  33  21.21 +/- 0.25   0.000% *  0.0936% (0.31   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  33  25.06 +/- 0.37   0.000% *  0.0468% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 276 (1.86, 1.86, 32.27 ppm):
    1 diagonal assignment:
    *     QB    LYS+  33 - QB    LYS+  33  (1.00)  kept
 
    Peak 278 (1.38, 1.86, 32.27 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 156.5:
    * O T HG3   LYS+  33 - QB    LYS+  33   2.48 +/- 0.09  99.888% * 97.4143% (1.00   6.20 156.51) = 100.000%  kept
          HB3   LEU   73 - QB    LYS+  33   9.23 +/- 0.34   0.039% *  0.3034% (0.97   0.02   0.02) =   0.000%
        T QB    LEU   98 - QB    LYS+  33   9.89 +/- 0.38   0.026% *  0.1654% (0.53   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+  33  12.06 +/- 2.16   0.015% *  0.2517% (0.80   0.02   0.02) =   0.000%
          HB    VAL   42 - QB    LYS+  33  11.54 +/- 0.45   0.010% *  0.3116% (0.99   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+  33  12.18 +/- 1.38   0.010% *  0.0485% (0.15   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QB    LYS+  33  15.95 +/- 1.16   0.002% *  0.2974% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+  33  13.45 +/- 0.43   0.004% *  0.0874% (0.28   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+  33  17.91 +/- 1.00   0.001% *  0.3116% (0.99   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QB    LYS+  33  17.98 +/- 0.87   0.001% *  0.2517% (0.80   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+  33  15.03 +/- 0.29   0.002% *  0.0700% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  33  14.77 +/- 0.59   0.002% *  0.0485% (0.15   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+  33  19.50 +/- 0.84   0.000% *  0.0784% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+  33  20.86 +/- 0.52   0.000% *  0.0784% (0.25   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+  33  28.13 +/- 0.41   0.000% *  0.2819% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (1.63, 1.86, 32.27 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.07, residual support = 156.5:
    * O T QD    LYS+  33 - QB    LYS+  33   2.25 +/- 0.20  99.998% * 98.6263% (1.00   5.07 156.51) = 100.000%  kept
        T HD2   LYS+  74 - QB    LYS+  33  15.08 +/- 0.56   0.001% *  0.2204% (0.57   0.02   0.02) =   0.000%
          QB    ALA   57 - QB    LYS+  33  18.89 +/- 0.48   0.000% *  0.3377% (0.87   0.02   0.02) =   0.000%
        T HB3   LEU  123 - QB    LYS+  33  24.74 +/- 0.71   0.000% *  0.3893% (1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  33  27.86 +/- 0.42   0.000% *  0.3492% (0.90   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - QB    LYS+  33  27.29 +/- 0.58   0.000% *  0.0770% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 280 (2.92, 1.86, 32.27 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.64, residual support = 156.5:
    *   T QE    LYS+  33 - QB    LYS+  33   2.65 +/- 0.70  98.633% * 98.6251% (1.00   5.64 156.51) =  99.998%  kept
          HB2   ASN   35 - QB    LYS+  33   6.25 +/- 0.37   1.195% *  0.1194% (0.34   0.02   0.69) =   0.001%
          HB2   ASN   28 - QB    LYS+  33   8.84 +/- 0.62   0.139% *  0.3430% (0.98   0.02   0.02) =   0.000%
          HB2   ASN   69 - QB    LYS+  33  12.42 +/- 0.86   0.024% *  0.0540% (0.15   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QB    LYS+  33  17.14 +/- 1.08   0.003% *  0.3138% (0.90   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  33  16.34 +/- 0.49   0.004% *  0.2404% (0.69   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  33  20.80 +/- 0.56   0.001% *  0.2264% (0.65   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  33  17.39 +/- 0.52   0.002% *  0.0779% (0.22   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 = 1.0, support = 6.27, residual support = 156.4:
    * O T HA    LYS+  33 - HG3   LYS+  33   3.08 +/- 0.25  68.637% * 93.9899% (1.00   6.28 156.51) =  99.954%  kept
          HB2   SER   37 - HG3   LYS+  33   4.71 +/- 2.06  25.184% *  0.0667% (0.22   0.02   0.02) =   0.026%
        T HA    GLU-  29 - HG3   LYS+  33   7.24 +/- 1.66   3.502% *  0.2890% (0.97   0.02   0.02) =   0.016%
        T HA    GLN   32 - HG3   LYS+  33   6.39 +/- 0.81   2.283% *  0.0833% (0.28   0.02  13.37) =   0.003%
          HA    VAL   18 - HG3   LYS+  65   8.66 +/- 1.08   0.212% *  0.2447% (0.82   0.02   0.02) =   0.001%
          HA    VAL   70 - HG3   LYS+  33   9.89 +/- 1.16   0.066% *  0.2598% (0.87   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+  33  12.50 +/- 0.53   0.019% *  0.2833% (0.95   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+  65  12.25 +/- 0.68   0.023% *  0.2243% (0.75   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 106  14.26 +/- 0.40   0.008% *  0.1651% (0.55   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  65  15.96 +/- 0.82   0.004% *  0.2243% (0.75   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 106  15.28 +/- 0.66   0.006% *  0.1651% (0.55   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  13.53 +/- 0.65   0.012% *  0.0587% (0.20   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 102  16.88 +/- 1.30   0.004% *  0.1488% (0.50   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 102  16.07 +/- 0.80   0.004% *  0.1291% (0.43   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  33  20.63 +/- 2.01   0.002% *  0.2686% (0.90   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 106  17.74 +/- 0.92   0.002% *  0.1800% (0.60   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 102  14.39 +/- 1.52   0.010% *  0.0414% (0.14   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 102  19.16 +/- 1.59   0.002% *  0.1436% (0.48   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 106  20.50 +/- 0.76   0.001% *  0.1903% (0.64   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 106  20.51 +/- 1.13   0.001% *  0.1707% (0.57   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+  65  21.89 +/- 0.90   0.001% *  0.2586% (0.86   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 106  21.24 +/- 0.90   0.001% *  0.1837% (0.61   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 102  16.14 +/- 1.11   0.004% *  0.0331% (0.11   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+  65  23.88 +/- 1.08   0.000% *  0.2496% (0.83   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  18.54 +/- 0.75   0.002% *  0.0529% (0.18   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  21.69 +/- 1.34   0.001% *  0.1361% (0.45   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 102  21.77 +/- 0.68   0.001% *  0.1407% (0.47   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+  65  19.43 +/- 0.99   0.001% *  0.0576% (0.19   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 102  23.04 +/- 1.80   0.001% *  0.1334% (0.45   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  22.02 +/- 1.08   0.001% *  0.1001% (0.33   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  19.56 +/- 0.96   0.001% *  0.0459% (0.15   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 102  23.01 +/- 1.13   0.000% *  0.1291% (0.43   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 106  19.64 +/- 0.51   0.001% *  0.0424% (0.14   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  19.64 +/- 1.10   0.001% *  0.0399% (0.13   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  26.07 +/- 1.10   0.000% *  0.1576% (0.53   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  33  27.39 +/- 0.60   0.000% *  0.2598% (0.87   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  24.11 +/- 1.01   0.000% *  0.0924% (0.31   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  19.75 +/- 0.81   0.001% *  0.0294% (0.10   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  65  28.78 +/- 1.51   0.000% *  0.2319% (0.77   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  24.13 +/- 0.95   0.000% *  0.0719% (0.24   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  27.27 +/- 0.98   0.000% *  0.0798% (0.27   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  29.79 +/- 0.70   0.000% *  0.0783% (0.26   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  28.26 +/- 0.70   0.000% *  0.0462% (0.15   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  29.16 +/- 0.51   0.000% *  0.0230% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 0.846, support = 6.02, residual support = 146.9:
    * O T QB    LYS+  33 - HG3   LYS+  33   2.48 +/- 0.09  45.957% * 60.8351% (1.00   6.20 156.51) =  61.370%  kept
      O T QB    LYS+ 106 - HG3   LYS+ 106   2.43 +/- 0.08  52.006% * 33.8358% (0.60   5.73 131.61) =  38.626%  kept
          HB3   ASP- 105 - HG3   LYS+ 106   5.01 +/- 0.28   0.744% *  0.1223% (0.62   0.02  20.85) =   0.002%
          HB    ILE  103 - HG3   LYS+ 106   5.09 +/- 0.54   0.726% *  0.1180% (0.60   0.02   0.02) =   0.002%
          HB    ILE  103 - HG3   LYS+ 102   6.34 +/- 0.46   0.180% *  0.0922% (0.47   0.02  22.53) =   0.000%
          HB3   GLN   30 - HG3   LYS+  33   6.51 +/- 1.29   0.314% *  0.0489% (0.25   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  65   8.88 +/- 0.82   0.027% *  0.1565% (0.80   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  33   9.74 +/- 1.48   0.019% *  0.0807% (0.41   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+ 102  10.77 +/- 0.70   0.008% *  0.0922% (0.47   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+ 102  11.89 +/- 1.01   0.005% *  0.0956% (0.49   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 102  12.70 +/- 1.28   0.003% *  0.0401% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  33  16.60 +/- 1.35   0.001% *  0.1812% (0.92   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  65  16.68 +/- 0.97   0.001% *  0.1636% (0.83   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  65  15.36 +/- 0.88   0.001% *  0.0960% (0.49   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  65  17.21 +/- 0.66   0.000% *  0.1662% (0.85   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 102  15.95 +/- 1.16   0.001% *  0.0975% (0.50   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 106  16.74 +/- 0.98   0.001% *  0.1236% (0.63   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  33  17.76 +/- 0.69   0.000% *  0.1857% (0.95   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+  65  17.91 +/- 1.00   0.000% *  0.1695% (0.86   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  33  18.18 +/- 0.59   0.000% *  0.1857% (0.95   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 106  15.65 +/- 0.62   0.001% *  0.0706% (0.36   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  33  18.68 +/- 0.69   0.000% *  0.1924% (0.98   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  14.79 +/- 1.25   0.001% *  0.0423% (0.22   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  65  18.29 +/- 0.93   0.000% *  0.1604% (0.82   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 106  17.98 +/- 0.87   0.000% *  0.1247% (0.64   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 106  18.67 +/- 0.78   0.000% *  0.1204% (0.61   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  33  21.27 +/- 1.34   0.000% *  0.1894% (0.97   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 106  15.02 +/- 0.84   0.001% *  0.0192% (0.10   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 106  18.21 +/- 0.67   0.000% *  0.0513% (0.26   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 106  17.11 +/- 1.06   0.000% *  0.0311% (0.16   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 106  21.06 +/- 0.60   0.000% *  0.1152% (0.59   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  65  18.31 +/- 0.80   0.000% *  0.0423% (0.22   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  17.48 +/- 0.50   0.000% *  0.0311% (0.16   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 102  17.44 +/- 1.14   0.000% *  0.0243% (0.12   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  65  23.78 +/- 0.72   0.000% *  0.1604% (0.82   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 106  22.99 +/- 0.76   0.000% *  0.1204% (0.61   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  65  24.84 +/- 1.13   0.000% *  0.1636% (0.83   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  18.96 +/- 0.63   0.000% *  0.0311% (0.16   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  33  25.87 +/- 1.33   0.000% *  0.1946% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  65  21.84 +/- 0.92   0.000% *  0.0697% (0.36   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 102  23.09 +/- 1.00   0.000% *  0.0941% (0.48   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 102  23.07 +/- 0.95   0.000% *  0.0900% (0.46   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  20.64 +/- 1.07   0.000% *  0.0423% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  65  26.25 +/- 1.19   0.000% *  0.1680% (0.86   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 102  24.03 +/- 1.03   0.000% *  0.0967% (0.49   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  33  26.07 +/- 0.42   0.000% *  0.1111% (0.57   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  33  29.33 +/- 0.84   0.000% *  0.1894% (0.97   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 102  25.41 +/- 0.72   0.000% *  0.0552% (0.28   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  65  22.64 +/- 0.93   0.000% *  0.0262% (0.13   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  23.45 +/- 1.43   0.000% *  0.0243% (0.12   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  26.67 +/- 1.40   0.000% *  0.0489% (0.25   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 102  32.19 +/- 0.74   0.000% *  0.0941% (0.48   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 102  24.61 +/- 0.78   0.000% *  0.0150% (0.08   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  33  27.64 +/- 0.77   0.000% *  0.0303% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  30.13 +/- 0.56   0.000% *  0.0489% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  28.95 +/- 0.66   0.000% *  0.0243% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 290 (1.38, 1.38, 25.23 ppm):
    4 diagonal assignments:
    *     HG3   LYS+  33 - HG3   LYS+  33  (1.00)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.86)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.51)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.47)  kept
 
    Peak 291 (1.63, 1.38, 25.23 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 156.5:
    * O T QD    LYS+  33 - HG3   LYS+  33   2.34 +/- 0.17  99.957% * 94.7641% (1.00   4.55 156.51) = 100.000%  kept
          QB    ALA   57 - HG3   LYS+  65   9.69 +/- 0.89   0.026% *  0.3121% (0.75   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  65  12.97 +/- 2.14   0.006% *  0.2037% (0.49   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 106  13.35 +/- 0.46   0.003% *  0.2375% (0.57   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  65  15.82 +/- 1.19   0.001% *  0.3598% (0.86   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+  65  17.18 +/- 1.32   0.001% *  0.3598% (0.86   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 106  16.72 +/- 0.60   0.001% *  0.2297% (0.55   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  33  17.24 +/- 1.00   0.001% *  0.2359% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 102  17.25 +/- 0.79   0.001% *  0.2070% (0.50   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 106  18.53 +/- 0.46   0.000% *  0.2648% (0.64   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 106  19.10 +/- 0.74   0.000% *  0.2648% (0.64   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 106  17.50 +/- 0.89   0.001% *  0.1499% (0.36   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  33  21.13 +/- 0.47   0.000% *  0.3614% (0.87   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  65  17.91 +/- 1.10   0.001% *  0.0712% (0.17   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  65  24.09 +/- 0.82   0.000% *  0.3227% (0.77   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 102  23.45 +/- 1.67   0.000% *  0.2070% (0.50   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 102  23.36 +/- 1.20   0.000% *  0.1856% (0.45   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  33  26.85 +/- 1.31   0.000% *  0.4167% (1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 102  23.93 +/- 0.61   0.000% *  0.1795% (0.43   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 102  23.74 +/- 0.73   0.000% *  0.1172% (0.28   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  33  30.98 +/- 0.44   0.000% *  0.3737% (0.90   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 106  23.86 +/- 1.04   0.000% *  0.0524% (0.13   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  33  30.69 +/- 0.72   0.000% *  0.0825% (0.20   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 102  33.22 +/- 0.94   0.000% *  0.0410% (0.10   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 7 structures by 0.04 A, kept.
 
    Peak 292 (2.92, 1.38, 25.23 ppm):
    32 chemical-shift based assignments, quality = 0.891, support = 4.81, residual support = 158.8:
    * O T QE    LYS+  33 - HG3   LYS+  33   2.82 +/- 0.56  40.173% * 59.7513% (1.00   5.30 156.51) =  51.888%  kept
      O T QE    LYS+  65 - HG3   LYS+  65   2.56 +/- 0.58  59.635% * 37.3222% (0.77   4.28 161.19) =  48.112%  kept
          HB2   ASN   35 - HG3   LYS+  33   6.95 +/- 0.34   0.148% *  0.0768% (0.34   0.02   0.69) =   0.000%
          HB2   ASN   28 - HG3   LYS+  33  10.87 +/- 1.66   0.018% *  0.2208% (0.98   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  12.00 +/- 1.50   0.007% *  0.0382% (0.17   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  14.33 +/- 0.83   0.002% *  0.0983% (0.44   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  65  12.59 +/- 0.82   0.005% *  0.0300% (0.13   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  17.60 +/- 1.68   0.001% *  0.1945% (0.86   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  33  12.90 +/- 1.58   0.004% *  0.0348% (0.15   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  18.84 +/- 1.26   0.000% *  0.1547% (0.69   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  17.17 +/- 1.27   0.001% *  0.1119% (0.50   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  18.89 +/- 1.39   0.000% *  0.2020% (0.90   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  17.05 +/- 1.23   0.001% *  0.0769% (0.34   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  19.02 +/- 1.08   0.000% *  0.1431% (0.64   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  19.04 +/- 1.59   0.000% *  0.1097% (0.49   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.01 +/- 0.92   0.000% *  0.1403% (0.62   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  16.83 +/- 0.95   0.001% *  0.0488% (0.22   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  20.61 +/- 0.87   0.000% *  0.1284% (0.57   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  23.05 +/- 1.27   0.000% *  0.1258% (0.56   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  33  20.08 +/- 1.25   0.000% *  0.0502% (0.22   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  65  19.72 +/- 1.26   0.000% *  0.0433% (0.19   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  25.04 +/- 1.04   0.000% *  0.1907% (0.85   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  23.95 +/- 1.30   0.000% *  0.1457% (0.65   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  22.46 +/- 0.95   0.000% *  0.0926% (0.41   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 106  20.00 +/- 1.01   0.000% *  0.0319% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  23.54 +/- 1.18   0.000% *  0.0664% (0.29   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 106  19.09 +/- 0.79   0.000% *  0.0221% (0.10   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  26.59 +/- 1.18   0.000% *  0.1336% (0.59   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  25.34 +/- 0.68   0.000% *  0.1004% (0.45   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 102  19.12 +/- 1.18   0.000% *  0.0173% (0.08   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  28.91 +/- 0.77   0.000% *  0.0724% (0.32   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 102  25.99 +/- 0.74   0.000% *  0.0249% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (4.01, 1.63, 29.57 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.04, residual support = 156.5:
    *   T HA    LYS+  33 - QD    LYS+  33   3.53 +/- 0.62  77.730% * 95.3317% (1.00   5.04 156.51) =  99.963%  kept
          HB2   SER   37 - QD    LYS+  33   5.26 +/- 1.05  17.751% *  0.0843% (0.22   0.02   0.02) =   0.020%
        T HA    GLU-  29 - QD    LYS+  33   6.77 +/- 1.18   2.355% *  0.3653% (0.97   0.02   0.02) =   0.012%
        T HA    GLN   32 - QD    LYS+  33   7.05 +/- 0.95   1.427% *  0.1052% (0.28   0.02  13.37) =   0.002%
          HA    VAL   70 - QD    LYS+  33   9.33 +/- 1.20   0.419% *  0.3283% (0.87   0.02   0.02) =   0.002%
          HA    VAL   18 - QD    LYS+  33  10.79 +/- 1.14   0.166% *  0.3580% (0.95   0.02   0.02) =   0.001%
          HA    GLN  116 - HD3   LYS+ 111  10.98 +/- 0.34   0.110% *  0.2942% (0.78   0.02   0.02) =   0.000%
          HB2   SER   82 - QD    LYS+  33  19.01 +/- 1.35   0.005% *  0.3394% (0.90   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  16.65 +/- 0.87   0.009% *  0.1047% (0.28   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  14.88 +/- 0.36   0.017% *  0.0523% (0.14   0.02   0.02) =   0.000%
          HA    SER   48 - HD3   LYS+ 111  20.74 +/- 0.54   0.002% *  0.1784% (0.47   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   LYS+ 111  24.08 +/- 0.38   0.001% *  0.3208% (0.85   0.02   0.02) =   0.000%
          HA    GLN  116 - QD    LYS+  33  25.18 +/- 1.05   0.001% *  0.3283% (0.87   0.02   0.02) =   0.000%
          HA    SER   48 - QD    LYS+  33  23.33 +/- 0.72   0.001% *  0.1991% (0.53   0.02   0.02) =   0.000%
          HA    VAL   70 - HD3   LYS+ 111  24.91 +/- 0.40   0.001% *  0.2942% (0.78   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  33  22.58 +/- 0.75   0.002% *  0.1168% (0.31   0.02   0.02) =   0.000%
          HB2   SER   82 - HD3   LYS+ 111  26.48 +/- 0.68   0.001% *  0.3042% (0.80   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HD3   LYS+ 111  31.89 +/- 0.50   0.000% *  0.3273% (0.86   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HD3   LYS+ 111  32.20 +/- 0.37   0.000% *  0.3392% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  33  25.49 +/- 0.82   0.001% *  0.0584% (0.15   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  30.60 +/- 0.53   0.000% *  0.0943% (0.25   0.02   0.02) =   0.000%
          HB2   SER   37 - HD3   LYS+ 111  31.22 +/- 0.51   0.000% *  0.0755% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 294 (1.86, 1.63, 29.57 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.07, residual support = 156.5:
    * O T QB    LYS+  33 - QD    LYS+  33   2.25 +/- 0.20  99.667% * 93.6436% (1.00   5.07 156.51) = 100.000%  kept
          HB3   GLN   30 - QD    LYS+  33   6.31 +/- 0.82   0.271% *  0.0922% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   LYS+ 111  10.75 +/- 0.45   0.010% *  0.3134% (0.85   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  33  10.05 +/- 0.62   0.016% *  0.1520% (0.41   0.02   0.02) =   0.000%
          HB    ILE   56 - HD3   LYS+ 111  11.13 +/- 0.14   0.008% *  0.1875% (0.51   0.02   2.31) =   0.000%
          HB2   MET   92 - HD3   LYS+ 111  10.13 +/- 0.84   0.014% *  0.0511% (0.14   0.02   0.02) =   0.000%
        T HG3   PRO   68 - QD    LYS+  33  14.67 +/- 1.41   0.002% *  0.3412% (0.92   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   LYS+ 111  14.38 +/- 0.56   0.002% *  0.3247% (0.88   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   LYS+ 111  16.76 +/- 1.68   0.001% *  0.3283% (0.89   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD3   LYS+ 111  11.63 +/- 0.36   0.006% *  0.0826% (0.22   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  33  17.04 +/- 0.78   0.001% *  0.3497% (0.95   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  33  17.89 +/- 0.91   0.000% *  0.3623% (0.98   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  33  17.86 +/- 0.72   0.000% *  0.3497% (0.95   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   LYS+ 111  17.80 +/- 0.54   0.000% *  0.3134% (0.85   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HD3   LYS+ 111  18.15 +/- 0.85   0.000% *  0.3197% (0.86   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  33  19.39 +/- 0.80   0.000% *  0.3567% (0.97   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   LYS+ 111  21.25 +/- 0.66   0.000% *  0.3197% (0.86   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD3   LYS+ 111  18.26 +/- 0.69   0.000% *  0.0826% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  33  23.81 +/- 1.14   0.000% *  0.3664% (0.99   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  33  23.70 +/- 0.95   0.000% *  0.2093% (0.57   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - QD    LYS+  33  26.14 +/- 1.21   0.000% *  0.3567% (0.97   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD3   LYS+ 111  27.86 +/- 0.42   0.000% *  0.3313% (0.90   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   LYS+ 111  27.74 +/- 0.54   0.000% *  0.3058% (0.83   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  33  24.44 +/- 1.53   0.000% *  0.0922% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  33  27.31 +/- 0.83   0.000% *  0.0922% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   LYS+ 111  26.98 +/- 0.39   0.000% *  0.0826% (0.22   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  33  25.38 +/- 0.85   0.000% *  0.0570% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   LYS+ 111  30.56 +/- 0.41   0.000% *  0.1362% (0.37   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 296 (1.38, 1.63, 29.57 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 156.5:
    * O T HG3   LYS+  33 - QD    LYS+  33   2.34 +/- 0.17  99.788% * 93.2383% (1.00   4.55 156.51) =  99.999%  kept
          HB2   LYS+ 112 - HD3   LYS+ 111   7.34 +/- 0.24   0.116% *  0.3295% (0.80   0.02  25.46) =   0.000%
          HB3   LEU   73 - QD    LYS+  33   9.93 +/- 0.72   0.023% *  0.3957% (0.97   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  33  10.83 +/- 2.18   0.027% *  0.3283% (0.80   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  33  11.89 +/- 1.01   0.007% *  0.4063% (0.99   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  33  11.12 +/- 0.54   0.011% *  0.2157% (0.53   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HD3   LYS+ 111  13.35 +/- 0.46   0.003% *  0.2942% (0.72   0.02   0.02) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  11.32 +/- 0.37   0.009% *  0.0916% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  33  13.59 +/- 0.79   0.003% *  0.1140% (0.28   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+  33  17.18 +/- 1.32   0.001% *  0.4063% (0.99   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  33  17.25 +/- 0.79   0.001% *  0.3878% (0.95   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.54 +/- 1.41   0.004% *  0.0633% (0.15   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  33  19.10 +/- 0.74   0.000% *  0.3283% (0.80   0.02   0.02) =   0.000%
          HB    VAL   42 - HD3   LYS+ 111  19.61 +/- 0.40   0.000% *  0.3641% (0.89   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HD3   LYS+ 111  15.94 +/- 1.13   0.001% *  0.0916% (0.22   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  15.97 +/- 0.67   0.001% *  0.0913% (0.22   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  16.11 +/- 0.46   0.001% *  0.0818% (0.20   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   LYS+ 111  18.57 +/- 0.41   0.000% *  0.1933% (0.47   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  33  15.90 +/- 0.93   0.001% *  0.0633% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD3   LYS+ 111  22.90 +/- 0.73   0.000% *  0.3545% (0.86   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD3   LYS+ 111  23.36 +/- 1.20   0.000% *  0.3475% (0.85   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD3   LYS+ 111  24.09 +/- 0.82   0.000% *  0.3641% (0.89   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    LYS+  33  20.03 +/- 1.19   0.000% *  0.1022% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  21.39 +/- 0.90   0.000% *  0.1022% (0.25   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  19.61 +/- 1.59   0.000% *  0.0567% (0.14   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  33  28.53 +/- 0.96   0.000% *  0.3677% (0.90   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   LYS+ 111  23.19 +/- 0.42   0.000% *  0.1021% (0.25   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD3   LYS+ 111  30.98 +/- 0.44   0.000% *  0.3674% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   LYS+ 111  23.80 +/- 0.86   0.000% *  0.0567% (0.14   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   LYS+ 111  32.84 +/- 1.92   0.000% *  0.2942% (0.72   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 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 = 4.34, residual support = 156.5:
    * O T QE    LYS+  33 - QD    LYS+  33   2.12 +/- 0.02  99.941% * 96.2953% (1.00   4.34 156.51) = 100.000%  kept
          HB2   ASN   35 - QD    LYS+  33   7.91 +/- 0.60   0.043% *  0.1514% (0.34   0.02   0.69) =   0.000%
          HB2   ASN   28 - QD    LYS+  33  10.26 +/- 1.10   0.010% *  0.4351% (0.98   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  33  11.73 +/- 1.33   0.004% *  0.0685% (0.15   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  33  16.40 +/- 1.64   0.001% *  0.3981% (0.90   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  33  17.89 +/- 0.83   0.000% *  0.3049% (0.69   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  33  17.91 +/- 0.83   0.000% *  0.0988% (0.22   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  33  21.38 +/- 0.85   0.000% *  0.2872% (0.65   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  21.76 +/- 0.60   0.000% *  0.2732% (0.62   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  22.92 +/- 0.68   0.000% *  0.3567% (0.80   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  23.51 +/- 0.77   0.000% *  0.2573% (0.58   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  28.57 +/- 1.17   0.000% *  0.3978% (0.90   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD3   LYS+ 111  22.76 +/- 0.39   0.000% *  0.0886% (0.20   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  29.91 +/- 0.75   0.000% *  0.3899% (0.88   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  29.33 +/- 0.75   0.000% *  0.1357% (0.31   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD3   LYS+ 111  28.02 +/- 0.77   0.000% *  0.0614% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.999, support = 5.7, residual support = 156.4:
    *   T HA    LYS+  33 - QE    LYS+  33   3.82 +/- 0.68  64.754% * 96.3871% (1.00   5.71 156.51) =  99.922%  kept
        T HA    GLU-  29 - QE    LYS+  33   6.16 +/- 1.69   8.316% *  0.3260% (0.97   0.02   0.02) =   0.043%
          HB2   SER   37 - QE    LYS+  33   5.82 +/- 1.43  19.515% *  0.0752% (0.22   0.02   0.02) =   0.023%
        T HA    GLN   32 - QE    LYS+  33   6.70 +/- 1.37   2.639% *  0.0939% (0.28   0.02  13.37) =   0.004%
          HA    VAL   70 - QE    LYS+  33   9.83 +/- 1.75   0.539% *  0.2930% (0.87   0.02   0.02) =   0.003%
          HA    VAL   18 - QE    LYS+  65   9.15 +/- 1.34   0.639% *  0.1642% (0.49   0.02   0.02) =   0.002%
          HA    SER   48 - HB2   ASP-  76   6.60 +/- 0.46   2.982% *  0.0265% (0.08   0.02   0.02) =   0.001%
          HA    VAL   18 - QE    LYS+  33  11.04 +/- 1.63   0.246% *  0.3195% (0.95   0.02   0.02) =   0.001%
          HA    VAL   70 - QE    LYS+  65  12.55 +/- 0.71   0.066% *  0.1506% (0.45   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASP-  76  11.98 +/- 0.54   0.088% *  0.0452% (0.13   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  65  15.47 +/- 0.90   0.020% *  0.1506% (0.45   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  33  18.38 +/- 1.66   0.007% *  0.3029% (0.90   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASP-  76  13.71 +/- 0.38   0.037% *  0.0477% (0.14   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASP-  76  12.18 +/- 0.39   0.075% *  0.0078% (0.02   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QE    LYS+  65  20.88 +/- 1.16   0.003% *  0.1736% (0.51   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   ASP-  76  17.52 +/- 0.53   0.009% *  0.0486% (0.14   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASP-  76  14.41 +/- 0.42   0.026% *  0.0155% (0.05   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  65  20.29 +/- 1.53   0.004% *  0.0914% (0.27   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  33  23.02 +/- 1.22   0.002% *  0.1777% (0.53   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QE    LYS+  65  22.66 +/- 1.34   0.002% *  0.1676% (0.50   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  33  25.33 +/- 1.47   0.001% *  0.2930% (0.87   0.02   0.02) =   0.000%
          HB2   SER   37 - QE    LYS+  65  18.65 +/- 1.18   0.006% *  0.0387% (0.11   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  22.14 +/- 0.96   0.002% *  0.1042% (0.31   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  18.47 +/- 1.01   0.006% *  0.0268% (0.08   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   ASP-  76  20.42 +/- 0.39   0.003% *  0.0437% (0.13   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   ASP-  76  21.51 +/- 0.56   0.003% *  0.0504% (0.15   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  65  27.17 +/- 1.25   0.001% *  0.1557% (0.46   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  23.07 +/- 1.15   0.002% *  0.0483% (0.14   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   ASP-  76  23.83 +/- 0.43   0.001% *  0.0437% (0.13   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  25.31 +/- 1.20   0.001% *  0.0521% (0.15   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB2   ASP-  76  20.57 +/- 0.65   0.003% *  0.0140% (0.04   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  26.05 +/- 0.93   0.001% *  0.0536% (0.16   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   ASP-  76  23.44 +/- 0.97   0.002% *  0.0112% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 300 (1.86, 2.92, 42.01 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 5.64, residual support = 156.5:
    *   T QB    LYS+  33 - QE    LYS+  33   2.65 +/- 0.70  98.190% * 94.9593% (1.00   5.64 156.51) =  99.998%  kept
          HB3   GLN   30 - QE    LYS+  33   6.02 +/- 1.01   1.085% *  0.0840% (0.25   0.02   0.02) =   0.001%
          HG3   PRO   68 - QE    LYS+  65   8.69 +/- 0.81   0.220% *  0.1599% (0.47   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  33  10.45 +/- 1.35   0.127% *  0.1385% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP-  76   8.28 +/- 0.31   0.240% *  0.0485% (0.14   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+  33  15.32 +/- 1.93   0.008% *  0.3110% (0.92   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP-  76  11.39 +/- 1.36   0.040% *  0.0498% (0.15   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  33  16.92 +/- 0.94   0.003% *  0.3187% (0.95   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  65  15.32 +/- 1.11   0.006% *  0.1672% (0.50   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  33  17.95 +/- 1.40   0.003% *  0.3303% (0.98   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  33  17.70 +/- 1.10   0.003% *  0.3187% (0.95   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  65  14.88 +/- 0.72   0.007% *  0.0981% (0.29   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QE    LYS+  65  17.14 +/- 1.08   0.003% *  0.1732% (0.51   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  65  17.23 +/- 0.46   0.003% *  0.1698% (0.50   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  33  18.92 +/- 1.13   0.001% *  0.3252% (0.97   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  65  14.15 +/- 1.21   0.009% *  0.0432% (0.13   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  65  18.03 +/- 0.57   0.002% *  0.1638% (0.49   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP-  76  15.00 +/- 1.06   0.006% *  0.0485% (0.14   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   ASP-  76  16.23 +/- 0.62   0.004% *  0.0475% (0.14   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP-  76  15.37 +/- 0.38   0.005% *  0.0285% (0.08   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  33  23.41 +/- 1.37   0.000% *  0.3340% (0.99   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP-  76  13.91 +/- 0.82   0.009% *  0.0125% (0.04   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB2   ASP-  76  17.39 +/- 0.52   0.002% *  0.0503% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+  65  17.83 +/- 1.15   0.002% *  0.0432% (0.13   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  65  23.16 +/- 0.58   0.000% *  0.1638% (0.49   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  65  23.38 +/- 1.11   0.000% *  0.1672% (0.50   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  33  23.66 +/- 1.31   0.000% *  0.1908% (0.57   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ASP-  76  14.00 +/- 0.75   0.009% *  0.0078% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  65  20.96 +/- 0.99   0.001% *  0.0712% (0.21   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  33  26.10 +/- 1.59   0.000% *  0.3252% (0.97   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  65  19.41 +/- 0.83   0.001% *  0.0432% (0.13   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  15.66 +/- 0.42   0.005% *  0.0125% (0.04   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  65  24.91 +/- 1.17   0.000% *  0.1717% (0.51   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   ASP-  76  20.68 +/- 0.72   0.001% *  0.0493% (0.15   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   ASP-  76  21.58 +/- 0.37   0.001% *  0.0475% (0.14   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  33  24.79 +/- 1.81   0.000% *  0.0840% (0.25   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  65  21.58 +/- 1.04   0.001% *  0.0267% (0.08   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  33  27.17 +/- 1.17   0.000% *  0.0840% (0.25   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  33  25.13 +/- 1.02   0.000% *  0.0520% (0.15   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP-  76  25.00 +/- 0.42   0.000% *  0.0464% (0.14   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP-  76  26.89 +/- 0.37   0.000% *  0.0207% (0.06   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  28.18 +/- 0.59   0.000% *  0.0125% (0.04   0.02   0.02) =   0.000%
    Distance limit 5.32 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 = 0.814, support = 4.91, residual support = 158.3:
    * O T HG3   LYS+  33 - QE    LYS+  33   2.82 +/- 0.56  39.749% * 68.3480% (1.00   5.30 156.51) =  62.004%  kept
      O T HG3   LYS+  65 - QE    LYS+  65   2.56 +/- 0.58  59.274% * 28.0870% (0.51   4.28 161.19) =  37.996%  kept
          HB3   LEU   73 - QE    LYS+  33   9.80 +/- 1.23   0.029% *  0.2487% (0.97   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  33  11.25 +/- 2.24   0.019% *  0.2063% (0.80   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   ASP-  76   6.74 +/- 0.49   0.244% *  0.0107% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   6.97 +/- 0.96   0.378% *  0.0059% (0.02   0.02   0.48) =   0.000%
          QB    ALA   84 - HB2   ASP-  76   6.49 +/- 0.27   0.237% *  0.0086% (0.03   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  33  12.07 +/- 1.47   0.006% *  0.2554% (0.99   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  33  11.03 +/- 0.96   0.009% *  0.1356% (0.53   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  65  12.27 +/- 0.79   0.005% *  0.1313% (0.51   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB2   ASP-  76  10.15 +/- 0.55   0.016% *  0.0371% (0.14   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  65  13.69 +/- 2.48   0.005% *  0.1061% (0.41   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  33  13.46 +/- 1.33   0.004% *  0.0716% (0.28   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  33  17.60 +/- 1.68   0.001% *  0.2554% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  65  15.02 +/- 1.18   0.001% *  0.1278% (0.50   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  33  17.17 +/- 1.27   0.001% *  0.2438% (0.95   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  33  13.40 +/- 1.46   0.004% *  0.0398% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  65  13.52 +/- 1.40   0.002% *  0.0368% (0.14   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  33  15.61 +/- 0.89   0.001% *  0.0574% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  33  19.02 +/- 1.08   0.000% *  0.2063% (0.80   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  65  18.67 +/- 0.71   0.001% *  0.1188% (0.46   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  33  15.41 +/- 1.22   0.001% *  0.0398% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  76  12.47 +/- 0.46   0.005% *  0.0096% (0.04   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  65  18.89 +/- 1.39   0.000% *  0.1325% (0.51   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  65  15.74 +/- 0.84   0.001% *  0.0330% (0.13   0.02   0.02) =   0.000%
          HB    VAL   42 - HB2   ASP-  76  16.13 +/- 0.43   0.001% *  0.0381% (0.15   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  65  17.73 +/- 0.62   0.001% *  0.0697% (0.27   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  65  20.61 +/- 0.87   0.000% *  0.1061% (0.41   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  65  17.52 +/- 0.61   0.001% *  0.0330% (0.13   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   ASP-  76  16.69 +/- 0.38   0.001% *  0.0202% (0.08   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  33  20.21 +/- 1.69   0.000% *  0.0643% (0.25   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB2   ASP-  76  19.72 +/- 1.26   0.000% *  0.0381% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  33  21.29 +/- 1.17   0.000% *  0.0643% (0.25   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB2   ASP-  76  20.08 +/- 1.25   0.000% *  0.0384% (0.15   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  65  18.78 +/- 0.97   0.000% *  0.0295% (0.11   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  65  25.34 +/- 0.68   0.000% *  0.1253% (0.49   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   ASP-  76  20.00 +/- 1.01   0.000% *  0.0308% (0.12   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  33  28.56 +/- 1.32   0.000% *  0.2311% (0.90   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   ASP-  76  21.93 +/- 2.40   0.000% *  0.0308% (0.12   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  65  19.99 +/- 0.98   0.000% *  0.0204% (0.08   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  76  22.71 +/- 0.32   0.000% *  0.0345% (0.13   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  65  21.99 +/- 1.56   0.000% *  0.0204% (0.08   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  76  18.45 +/- 1.20   0.000% *  0.0059% (0.02   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   ASP-  76  25.99 +/- 0.74   0.000% *  0.0364% (0.14   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   ASP-  76  24.88 +/- 0.58   0.000% *  0.0096% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.63 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 = 4.34, residual support = 156.5:
    * O T QD    LYS+  33 - QE    LYS+  33   2.12 +/- 0.02  99.638% * 97.0771% (1.00   4.34 156.51) = 100.000%  kept
          HD2   LYS+  74 - HB2   ASP-  76   6.88 +/- 1.89   0.334% *  0.0378% (0.08   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  65   9.16 +/- 0.84   0.018% *  0.1996% (0.45   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  65  12.83 +/- 2.07   0.003% *  0.1302% (0.29   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  15.20 +/- 1.46   0.001% *  0.2534% (0.57   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  65  15.01 +/- 1.31   0.001% *  0.2300% (0.51   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   ASP-  76  12.06 +/- 0.48   0.003% *  0.0579% (0.13   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+  65  16.40 +/- 1.64   0.001% *  0.2300% (0.51   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  18.87 +/- 1.25   0.000% *  0.3882% (0.87   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  65  16.36 +/- 1.08   0.001% *  0.0455% (0.10   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   ASP-  76  17.91 +/- 0.83   0.000% *  0.0668% (0.15   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  33  25.01 +/- 1.70   0.000% *  0.4475% (1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  22.92 +/- 0.68   0.000% *  0.2063% (0.46   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   ASP-  76  15.96 +/- 0.65   0.001% *  0.0132% (0.03   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  28.57 +/- 1.17   0.000% *  0.4013% (0.90   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   ASP-  76  22.76 +/- 0.39   0.000% *  0.0599% (0.13   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  33  27.31 +/- 1.27   0.000% *  0.0886% (0.20   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   ASP-  76  30.00 +/- 0.53   0.000% *  0.0668% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 304 (2.92, 2.92, 42.01 ppm):
    3 diagonal assignments:
    *     QE    LYS+  33 - QE    LYS+  33  (1.00)  kept
          QE    LYS+  65 - QE    LYS+  65  (0.46)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.03)  kept
 
    Peak 305 (4.13, 4.13, 54.46 ppm):
    2 diagonal assignments:
    *     HA    ALA   34 - HA    ALA   34  (0.80)  kept
          HA    ALA  124 - HA    ALA  124  (0.12)  kept
 
    Peak 306 (1.28, 4.13, 54.46 ppm):
    14 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 26.2:
    * O T QB    ALA   34 - HA    ALA   34   2.13 +/- 0.01  95.273% * 95.6714% (0.80   1.93  26.17) =  99.984%  kept
          QG2   THR   39 - HA    ALA   34   4.18 +/- 0.59   4.665% *  0.3069% (0.25   0.02   7.75) =   0.016%
          HG3   LYS+  38 - HA    ALA   34   7.45 +/- 0.61   0.059% *  0.5807% (0.47   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA   34  16.08 +/- 0.41   0.001% *  1.0940% (0.89   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA   34  18.44 +/- 0.29   0.000% *  0.8015% (0.65   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ALA  124  14.54 +/- 0.87   0.001% *  0.0704% (0.06   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA   34  18.22 +/- 0.36   0.000% *  0.2457% (0.20   0.02   0.02) =   0.000%
        T QB    ALA   34 - HA    ALA  124  18.22 +/- 0.83   0.000% *  0.2272% (0.18   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA  124  18.13 +/- 0.43   0.000% *  0.1840% (0.15   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA   34  22.50 +/- 0.58   0.000% *  0.3069% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA  124  22.41 +/- 1.27   0.000% *  0.1333% (0.11   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA  124  29.96 +/- 0.70   0.000% *  0.2511% (0.20   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA  124  24.53 +/- 0.51   0.000% *  0.0564% (0.05   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA  124  26.34 +/- 1.08   0.000% *  0.0704% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 26.2:
    * O T HA    ALA   34 - QB    ALA   34   2.13 +/- 0.01  99.659% * 94.3172% (0.80   1.93  26.17) =  99.998%  kept
          HA1   GLY  101 - QB    ALA   34   6.72 +/- 1.12   0.143% *  0.7901% (0.65   0.02   0.02) =   0.001%
          HA    ASN   28 - QB    ALA   34   7.06 +/- 0.19   0.078% *  1.0785% (0.89   0.02   0.02) =   0.001%
          HA    GLU-  36 - QB    ALA   34   6.70 +/- 0.08   0.105% *  0.1679% (0.14   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   34   9.39 +/- 0.32   0.014% *  0.2713% (0.22   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   34  16.59 +/- 0.17   0.000% *  1.0666% (0.88   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   34  18.22 +/- 0.83   0.000% *  0.6600% (0.54   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   34  19.29 +/- 0.21   0.000% *  0.6160% (0.51   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA   34  16.54 +/- 0.30   0.000% *  0.2423% (0.20   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   34  21.15 +/- 0.40   0.000% *  0.7901% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 4.01, residual support = 54.0:
    * O T HB2   ASN   35 - HA    ASN   35   2.71 +/- 0.06  99.556% * 97.7383% (1.00   4.01  54.03) =  99.999%  kept
          QE    LYS+  33 - HA    ASN   35   8.33 +/- 0.88   0.155% *  0.1662% (0.34   0.02   0.69) =   0.000%
        T HB2   ASN   35 - HA    LEU   40   9.48 +/- 0.46   0.056% *  0.1827% (0.37   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    GLU-  15   9.16 +/- 1.49   0.108% *  0.0308% (0.06   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    LEU   40  10.88 +/- 1.48   0.041% *  0.0623% (0.13   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  15  10.59 +/- 1.53   0.045% *  0.0548% (0.11   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    ASN   35  12.32 +/- 0.16   0.011% *  0.2184% (0.45   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   35  16.92 +/- 0.47   0.002% *  0.4070% (0.84   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    LEU   40  12.81 +/- 0.78   0.010% *  0.0247% (0.05   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    LEU   40  16.80 +/- 0.65   0.002% *  0.1108% (0.23   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    GLU-  15  16.56 +/- 1.13   0.002% *  0.0903% (0.19   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LEU   40  18.01 +/- 0.43   0.001% *  0.1526% (0.31   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LEU   40  16.37 +/- 0.27   0.002% *  0.0819% (0.17   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    ASN   35  16.18 +/- 0.83   0.002% *  0.0659% (0.14   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    LEU   40  15.39 +/- 0.48   0.003% *  0.0455% (0.09   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   35  21.67 +/- 0.98   0.000% *  0.2955% (0.61   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    ASN   35  20.89 +/- 0.51   0.000% *  0.1215% (0.25   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    GLU-  15  16.08 +/- 0.49   0.002% *  0.0225% (0.05   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    GLU-  15  18.27 +/- 0.89   0.001% *  0.0405% (0.08   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  15  24.21 +/- 1.02   0.000% *  0.0754% (0.15   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    GLU-  15  22.12 +/- 1.15   0.000% *  0.0122% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 4.86, residual support = 82.9:
    * O T QB    GLU-  36 - HA    GLU-  36   2.33 +/- 0.19  99.961% * 98.6976% (1.00   4.86  82.91) = 100.000%  kept
          HG3   GLU- 100 - HA    GLU-  36   9.18 +/- 0.75   0.033% *  0.0711% (0.18   0.02   0.02) =   0.000%
        T HB3   GLU-  29 - HA    GLU-  36  13.29 +/- 0.57   0.004% *  0.3522% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  36  13.74 +/- 0.41   0.003% *  0.1977% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  36  24.85 +/- 0.62   0.000% *  0.4025% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  36  29.93 +/- 0.40   0.000% *  0.2789% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 3.31, residual support = 82.9:
    * O T HG2   GLU-  36 - HA    GLU-  36   3.10 +/- 0.84  99.992% * 99.0288% (1.00   3.31  82.91) = 100.000%  kept
          HG3   MET   96 - HA    GLU-  36  17.71 +/- 0.69   0.006% *  0.5519% (0.92   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  36  21.55 +/- 0.78   0.002% *  0.1047% (0.18   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  36  26.89 +/- 0.64   0.000% *  0.3146% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.64 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 = 3.31, residual support = 82.9:
    * O T HG3   GLU-  36 - HA    GLU-  36   3.43 +/- 0.29  99.990% * 97.3968% (1.00   3.31  82.91) = 100.000%  kept
        T QB    MET   11 - HA    GLU-  36  19.82 +/- 3.78   0.005% *  0.2207% (0.38   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  36  19.06 +/- 0.61   0.004% *  0.2636% (0.45   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  36  25.49 +/- 0.77   0.001% *  0.5675% (0.97   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  36  27.29 +/- 0.47   0.000% *  0.5829% (0.99   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  36  32.33 +/- 0.77   0.000% *  0.5881% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  36  33.93 +/- 0.29   0.000% *  0.3804% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 328 (4.10, 2.46, 36.40 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 82.9:
    * O T HA    GLU-  36 - HG2   GLU-  36   3.10 +/- 0.84  99.997% * 98.5858% (1.00   3.31  82.91) = 100.000%  kept
          HA    LYS+  81 - HG2   GLU-  36  25.39 +/- 0.85   0.001% *  0.5835% (0.98   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   GLU-  36  26.75 +/- 1.34   0.001% *  0.3851% (0.65   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   GLU-  36  23.23 +/- 1.46   0.002% *  0.1325% (0.22   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   GLU-  36  32.76 +/- 1.53   0.000% *  0.3132% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 82.9:
    * O T QB    GLU-  36 - HG2   GLU-  36   2.46 +/- 0.07  99.969% * 98.5220% (1.00   4.28  82.91) = 100.000%  kept
        T HB3   GLU-  29 - HG2   GLU-  36  11.58 +/- 1.15   0.010% *  0.3997% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   GLU-  36  12.23 +/- 0.74   0.007% *  0.2243% (0.49   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG2   GLU-  36  11.01 +/- 0.77   0.014% *  0.0807% (0.18   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  36  23.71 +/- 1.18   0.000% *  0.4567% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  36  29.66 +/- 0.96   0.000% *  0.3165% (0.69   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 82.9:
    * O T HG3   GLU-  36 - HG2   GLU-  36   1.75 +/- 0.00 100.000% * 97.1334% (1.00   3.00  82.91) = 100.000%  kept
        T QB    MET   11 - HG2   GLU-  36  18.27 +/- 3.49   0.000% *  0.2430% (0.38   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   GLU-  36  17.52 +/- 0.90   0.000% *  0.2903% (0.45   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   GLU-  36  24.38 +/- 1.21   0.000% *  0.6249% (0.97   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  36  27.91 +/- 0.70   0.000% *  0.6418% (0.99   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  36  32.19 +/- 1.29   0.000% *  0.6476% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  36  33.62 +/- 1.10   0.000% *  0.4189% (0.65   0.02   0.02) =   0.000%
    Distance limit 2.64 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 = 3.31, residual support = 82.9:
    * O T HA    GLU-  36 - HG3   GLU-  36   3.43 +/- 0.29  99.988% * 98.3396% (1.00   3.31  82.91) = 100.000%  kept
        T HA    GLU-  36 - QB    MET   11  19.82 +/- 3.78   0.005% *  0.0740% (0.12   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   GLU-  36  26.33 +/- 0.62   0.001% *  0.5820% (0.98   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   GLU-  36  27.15 +/- 1.74   0.000% *  0.3841% (0.65   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG3   GLU-  36  23.67 +/- 1.46   0.001% *  0.1322% (0.22   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    MET   11  19.81 +/- 1.77   0.003% *  0.0165% (0.03   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG3   GLU-  36  33.57 +/- 0.99   0.000% *  0.3124% (0.53   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    MET   11  26.13 +/- 2.03   0.001% *  0.0479% (0.08   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    MET   11  30.53 +/- 3.80   0.000% *  0.0725% (0.12   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    MET   11  28.93 +/- 3.29   0.001% *  0.0389% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 82.9:
    * O   QB    GLU-  36 - HG3   GLU-  36   2.31 +/- 0.10  99.979% * 98.2846% (1.00   4.28  82.91) = 100.000%  kept
          HB3   GLU-  29 - HG3   GLU-  36  12.15 +/- 0.74   0.005% *  0.3987% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   GLU-  36  12.78 +/- 0.75   0.004% *  0.2238% (0.49   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG3   GLU-  36  11.66 +/- 0.98   0.008% *  0.0805% (0.18   0.02   0.02) =   0.000%
          QB    GLU-  36 - QB    MET   11  16.55 +/- 3.67   0.003% *  0.0573% (0.12   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QB    MET   11  18.84 +/- 3.89   0.001% *  0.0497% (0.11   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG3   GLU-  36  24.55 +/- 0.70   0.000% *  0.4556% (0.99   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QB    MET   11  20.34 +/- 3.81   0.000% *  0.0279% (0.06   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - QB    MET   11  26.14 +/- 4.04   0.000% *  0.0568% (0.12   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   GLU-  36  30.65 +/- 0.57   0.000% *  0.3158% (0.69   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QB    MET   11  23.49 +/- 2.78   0.000% *  0.0100% (0.02   0.02   0.02) =   0.000%
        T HB2   GLN   90 - QB    MET   11  34.08 +/- 3.41   0.000% *  0.0393% (0.09   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 336 (2.46, 2.31, 36.40 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 82.9:
    * O T HG2   GLU-  36 - HG3   GLU-  36   1.75 +/- 0.00 100.000% * 98.7158% (1.00   3.00  82.91) = 100.000%  kept
          HG3   MET   96 - HG3   GLU-  36  19.28 +/- 0.78   0.000% *  0.6075% (0.92   0.02   0.02) =   0.000%
        T HG2   GLU-  36 - QB    MET   11  18.27 +/- 3.49   0.000% *  0.0820% (0.12   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   GLU-  36  22.56 +/- 1.06   0.000% *  0.1153% (0.18   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  36  27.38 +/- 1.25   0.000% *  0.3462% (0.53   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    MET   11  23.96 +/- 2.12   0.000% *  0.0431% (0.07   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    MET   11  26.97 +/- 2.49   0.000% *  0.0757% (0.12   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    MET   11  31.28 +/- 3.62   0.000% *  0.0144% (0.02   0.02   0.02) =   0.000%
    Distance limit 2.51 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 = 2.31, residual support = 25.6:
    * O T HB2   SER   37 - HA    SER   37   2.60 +/- 0.17  99.093% * 94.5539% (1.00   2.31  25.62) =  99.998%  kept
          HA    LYS+  33 - HA    SER   37   5.86 +/- 0.19   0.791% *  0.1822% (0.22   0.02   0.02) =   0.002%
          HA1   GLY   16 - HA    SER   13   9.80 +/- 1.11   0.059% *  0.3653% (0.45   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   37   9.95 +/- 0.61   0.037% *  0.3983% (0.49   0.02   0.02) =   0.000%
        T HB2   SER   37 - HA    SER   13  14.19 +/- 1.95   0.005% *  0.4373% (0.53   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    SER   37  15.21 +/- 0.92   0.003% *  0.6836% (0.84   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   13  14.44 +/- 1.33   0.004% *  0.2129% (0.26   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    THR   46  16.54 +/- 0.38   0.002% *  0.3947% (0.48   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   13  15.51 +/- 2.32   0.004% *  0.0974% (0.12   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    THR   46  19.99 +/- 0.58   0.001% *  0.6773% (0.83   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    THR   46  19.19 +/- 0.24   0.001% *  0.3947% (0.48   0.02   0.02) =   0.000%
        T HB2   SER   37 - HA    THR   46  24.55 +/- 0.64   0.000% *  0.8109% (0.99   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    THR   46  24.10 +/- 0.31   0.000% *  0.1805% (0.22   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   37  28.04 +/- 0.40   0.000% *  0.3983% (0.49   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   13  29.95 +/- 1.52   0.000% *  0.2129% (0.26   0.02   0.02) =   0.000%
    Distance limit 5.28 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 = 0.577, support = 2.11, residual support = 15.9:
      O T QB    SER   13 - HA    SER   13   2.41 +/- 0.15  75.898% * 23.9149% (0.35   1.93   7.29) =  52.745%  kept
    * O T HB3   SER   37 - HA    SER   37   2.95 +/- 0.16  23.537% * 69.0799% (0.84   2.31  25.62) =  47.247%  kept
          HB    THR   39 - HA    SER   37   5.64 +/- 0.31   0.525% *  0.4917% (0.69   0.02   2.73) =   0.007%
          HA    ILE   89 - HA    THR   46   8.99 +/- 0.44   0.030% *  0.5924% (0.83   0.02   0.02) =   0.001%
        T QB    SER   13 - HA    SER   37  14.32 +/- 1.93   0.004% *  0.4631% (0.65   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  14.87 +/- 0.29   0.001% *  0.7077% (0.99   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    SER   13  14.65 +/- 1.76   0.002% *  0.3195% (0.45   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  14.83 +/- 1.61   0.002% *  0.2627% (0.37   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  16.33 +/- 0.45   0.001% *  0.2419% (0.34   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.37 +/- 0.37   0.000% *  0.4872% (0.68   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  23.90 +/- 0.30   0.000% *  0.7142% (1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  23.79 +/- 0.54   0.000% *  0.5924% (0.83   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  23.32 +/- 2.29   0.000% *  0.4588% (0.64   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  26.68 +/- 0.28   0.000% *  0.5979% (0.84   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  25.24 +/- 0.80   0.000% *  0.2442% (0.34   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  27.75 +/- 1.50   0.000% *  0.3816% (0.53   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  30.71 +/- 2.39   0.000% *  0.3195% (0.45   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  29.05 +/- 3.03   0.000% *  0.1305% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 341 (4.42, 4.03, 64.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 25.6:
    * O T HA    SER   37 - HB2   SER   37   2.60 +/- 0.17  99.881% * 96.1460% (1.00   2.31  25.62) = 100.000%  kept
          HA    LEU   40 - HB2   SER   37   8.65 +/- 0.39   0.086% *  0.3123% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   SER   37  11.27 +/- 1.07   0.018% *  0.4711% (0.57   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   SER   37  13.31 +/- 0.45   0.007% *  0.5047% (0.61   0.02   0.02) =   0.000%
        T HA    SER   13 - HB2   SER   37  14.19 +/- 1.95   0.005% *  0.4711% (0.57   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   SER   37  15.41 +/- 0.76   0.003% *  0.8321% (1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB2   SER   37  24.55 +/- 0.64   0.000% *  0.8248% (0.99   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   SER   37  25.19 +/- 0.70   0.000% *  0.4378% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 342 (4.03, 4.03, 64.19 ppm):
    1 diagonal assignment:
    *     HB2   SER   37 - HB2   SER   37  (1.00)  kept
 
    Peak 343 (3.88, 4.03, 64.19 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 25.6:
    * O T HB3   SER   37 - HB2   SER   37   1.75 +/- 0.00  99.038% * 95.9695% (0.84   2.00  25.62) =  99.992%  kept
          HB    THR   39 - HB2   SER   37   4.00 +/- 0.45   0.961% *  0.7892% (0.69   0.02   2.73) =   0.008%
        T QB    SER   13 - HB2   SER   37  12.82 +/- 1.97   0.001% *  0.7433% (0.65   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   37  22.54 +/- 0.50   0.000% *  1.1464% (1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   37  25.16 +/- 0.67   0.000% *  0.9597% (0.84   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   SER   37  23.90 +/- 1.05   0.000% *  0.3919% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 0.58, support = 2.11, residual support = 15.7:
      O T HA    SER   13 - QB    SER   13   2.41 +/- 0.15  76.070% * 25.2368% (0.36   1.93   7.29) =  53.878%  kept
    * O T HA    SER   37 - HB3   SER   37   2.95 +/- 0.16  23.599% * 69.6357% (0.84   2.31  25.62) =  46.120%  kept
          HA    GLU-  15 - QB    SER   13   6.81 +/- 0.87   0.219% *  0.2611% (0.36   0.02   0.02) =   0.002%
          HA    LEU   40 - HB3   SER   37   7.80 +/- 0.53   0.073% *  0.2262% (0.31   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    SER   13  10.27 +/- 1.27   0.017% *  0.4612% (0.64   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   SER   37  11.24 +/- 1.02   0.009% *  0.3412% (0.47   0.02   0.02) =   0.000%
        T HA    SER   37 - QB    SER   13  14.32 +/- 1.93   0.004% *  0.4612% (0.64   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   SER   37  12.43 +/- 0.53   0.004% *  0.3656% (0.51   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  15.15 +/- 0.78   0.001% *  0.6027% (0.84   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  14.65 +/- 1.76   0.002% *  0.3412% (0.47   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    SER   13  18.10 +/- 1.74   0.000% *  0.2797% (0.39   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  17.14 +/- 1.52   0.001% *  0.1731% (0.24   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  23.79 +/- 0.54   0.000% *  0.5974% (0.83   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  23.32 +/- 2.29   0.000% *  0.4571% (0.63   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  20.77 +/- 1.39   0.000% *  0.2427% (0.34   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  24.64 +/- 0.87   0.000% *  0.3171% (0.44   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 25.6:
    * O T HB2   SER   37 - HB3   SER   37   1.75 +/- 0.00  99.710% * 95.8303% (0.84   2.00  25.62) =  99.999%  kept
          HA    LYS+  33 - HB3   SER   37   5.05 +/- 0.67   0.249% *  0.2134% (0.19   0.02   0.02) =   0.001%
          HA1   GLY   16 - QB    SER   13   8.68 +/- 1.35   0.020% *  0.6125% (0.53   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   37   7.67 +/- 0.83   0.017% *  0.4665% (0.41   0.02   0.02) =   0.000%
        T HB2   SER   37 - QB    SER   13  12.82 +/- 1.97   0.001% *  0.7333% (0.64   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB3   SER   37  13.14 +/- 0.87   0.001% *  0.8004% (0.70   0.02   0.02) =   0.000%
        T HA    VAL   70 - QB    SER   13  12.91 +/- 1.20   0.001% *  0.3569% (0.31   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    SER   13  14.16 +/- 2.44   0.001% *  0.1633% (0.14   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   37  25.87 +/- 0.82   0.000% *  0.4665% (0.41   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    SER   13  26.57 +/- 1.12   0.000% *  0.3569% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 5.62, residual support = 209.8:
    * O T HB2   LYS+  38 - HA    LYS+  38   2.45 +/- 0.14  94.358% * 99.0885% (1.00   5.62 209.82) =  99.999%  kept
        T HB2   LYS+  38 - HA    GLU- 100   4.71 +/- 1.04   5.619% *  0.0213% (0.06   0.02   0.02) =   0.001%
          HB    VAL   70 - HA    LYS+  38  11.70 +/- 0.70   0.010% *  0.0698% (0.20   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    LYS+  38  16.01 +/- 0.60   0.001% *  0.2560% (0.73   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  38  15.17 +/- 0.49   0.002% *  0.1202% (0.34   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  17.27 +/- 1.02   0.001% *  0.0879% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  20.32 +/- 0.69   0.000% *  0.1202% (0.34   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU- 100  16.57 +/- 0.65   0.001% *  0.0155% (0.04   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  13.28 +/- 0.74   0.004% *  0.0042% (0.01   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU- 100  16.03 +/- 0.68   0.002% *  0.0073% (0.02   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  38  28.03 +/- 0.54   0.000% *  0.1854% (0.53   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  19.30 +/- 1.01   0.000% *  0.0053% (0.02   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  20.61 +/- 0.66   0.000% *  0.0073% (0.02   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU- 100  26.59 +/- 0.63   0.000% *  0.0112% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 5.62, residual support = 209.8:
    * O T HB3   LYS+  38 - HA    LYS+  38   3.00 +/- 0.14  97.055% * 97.5782% (1.00   5.62 209.82) =  99.999%  kept
        T HB3   LYS+  38 - HA    GLU- 100   6.04 +/- 0.91   2.514% *  0.0210% (0.06   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    LYS+  38   8.41 +/- 0.44   0.219% *  0.1427% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  38  11.99 +/- 0.90   0.028% *  0.3284% (0.95   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  38  15.22 +/- 0.60   0.006% *  0.2105% (0.61   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  38  13.61 +/- 0.63   0.012% *  0.0866% (0.25   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  38  14.84 +/- 0.35   0.007% *  0.1071% (0.31   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLU- 100  10.17 +/- 0.66   0.068% *  0.0086% (0.02   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU- 100  12.79 +/- 0.87   0.018% *  0.0198% (0.06   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  38  16.50 +/- 0.53   0.004% *  0.0773% (0.22   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU- 100  10.86 +/- 0.24   0.045% *  0.0052% (0.02   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU- 100  13.54 +/- 0.39   0.012% *  0.0127% (0.04   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+  38  24.25 +/- 0.48   0.000% *  0.1965% (0.57   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU- 100  13.75 +/- 0.27   0.011% *  0.0065% (0.02   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  38  26.56 +/- 0.30   0.000% *  0.3350% (0.97   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  38  28.04 +/- 0.36   0.000% *  0.2899% (0.84   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    LYS+  38  27.24 +/- 0.31   0.000% *  0.2245% (0.65   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  38  27.30 +/- 0.85   0.000% *  0.1690% (0.49   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU- 100  18.96 +/- 0.42   0.002% *  0.0047% (0.01   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  38  31.74 +/- 0.45   0.000% *  0.0965% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLU- 100  23.20 +/- 0.62   0.000% *  0.0119% (0.03   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU- 100  26.24 +/- 0.25   0.000% *  0.0202% (0.06   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU- 100  26.78 +/- 0.57   0.000% *  0.0175% (0.05   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU- 100  25.76 +/- 0.84   0.000% *  0.0102% (0.03   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    GLU- 100  27.84 +/- 0.38   0.000% *  0.0136% (0.04   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU- 100  31.92 +/- 0.34   0.000% *  0.0058% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 350 (1.32, 3.78, 58.04 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.63, residual support = 209.8:
    * O T HG2   LYS+  38 - HA    LYS+  38   2.52 +/- 0.18  89.136% * 98.2459% (1.00   6.63 209.82) =  99.988%  kept
        T HG2   LYS+  99 - HA    LYS+  38   4.52 +/- 0.46   3.171% *  0.2906% (0.98   0.02   0.02) =   0.011%
        T HG2   LYS+  38 - HA    GLU- 100   4.77 +/- 0.91   4.053% *  0.0179% (0.06   0.02   0.02) =   0.001%
        T HG2   LYS+  99 - HA    GLU- 100   4.40 +/- 0.22   3.397% *  0.0176% (0.06   0.02  40.23) =   0.001%
          HB2   LEU   31 - HA    LYS+  38  10.48 +/- 0.40   0.019% *  0.2153% (0.73   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  38  10.26 +/- 1.85   0.049% *  0.0457% (0.15   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU- 100   8.40 +/- 1.39   0.141% *  0.0028% (0.01   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    GLU- 100  10.07 +/- 0.70   0.027% *  0.0130% (0.04   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  38  19.45 +/- 0.37   0.000% *  0.2476% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  38  18.65 +/- 0.54   0.001% *  0.1329% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  38  18.77 +/- 0.51   0.001% *  0.1011% (0.34   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  38  18.46 +/- 0.84   0.001% *  0.0660% (0.22   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  38  20.58 +/- 0.39   0.000% *  0.1329% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  38  21.64 +/- 0.55   0.000% *  0.1678% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  38  27.30 +/- 0.44   0.000% *  0.2374% (0.80   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    GLU- 100  17.57 +/- 0.59   0.001% *  0.0150% (0.05   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU- 100  19.26 +/- 0.60   0.001% *  0.0080% (0.03   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    GLU- 100  18.78 +/- 0.48   0.001% *  0.0061% (0.02   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    GLU- 100  19.85 +/- 0.41   0.000% *  0.0080% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    GLU- 100  21.06 +/- 0.95   0.000% *  0.0101% (0.03   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU- 100  19.31 +/- 0.69   0.001% *  0.0040% (0.01   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU- 100  25.81 +/- 0.36   0.000% *  0.0143% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 351 (1.26, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.32, residual support = 209.7:
    * O T HG3   LYS+  38 - HA    LYS+  38   3.30 +/- 0.34  69.626% * 98.1434% (1.00   6.32 209.82) =  99.952%  kept
          QB    ALA   34 - HA    LYS+  38   4.98 +/- 0.33   6.680% *  0.2487% (0.80   0.02   0.02) =   0.024%
          QG2   THR   39 - HA    LYS+  38   5.79 +/- 0.27   2.848% *  0.2786% (0.90   0.02  15.15) =   0.012%
        T HG3   LYS+  99 - HA    LYS+  38   5.35 +/- 0.62   5.469% *  0.1166% (0.38   0.02   0.02) =   0.009%
        T HG3   LYS+  38 - HA    GLU- 100   5.42 +/- 1.16   6.261% *  0.0188% (0.06   0.02   0.02) =   0.002%
        T HG3   LYS+  99 - HA    GLU- 100   5.08 +/- 0.39   6.139% *  0.0070% (0.02   0.02  40.23) =   0.001%
          QB    ALA   34 - HA    GLU- 100   5.97 +/- 0.50   2.514% *  0.0150% (0.05   0.02   0.02) =   0.001%
          QG2   THR   39 - HA    GLU- 100   8.02 +/- 0.50   0.394% *  0.0168% (0.05   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+  38  11.97 +/- 0.48   0.035% *  0.0959% (0.31   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  38  15.47 +/- 0.93   0.008% *  0.1758% (0.57   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  38  20.43 +/- 0.25   0.001% *  0.2938% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    LYS+  38  19.67 +/- 0.57   0.002% *  0.1392% (0.45   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  38  24.10 +/- 0.89   0.001% *  0.2786% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  38  20.80 +/- 0.42   0.001% *  0.1059% (0.34   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    GLU- 100  14.01 +/- 0.73   0.014% *  0.0058% (0.02   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    GLU- 100  17.39 +/- 0.95   0.004% *  0.0106% (0.03   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    GLU- 100  20.25 +/- 0.21   0.001% *  0.0178% (0.06   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    GLU- 100  19.83 +/- 0.62   0.002% *  0.0084% (0.03   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    GLU- 100  22.86 +/- 0.88   0.001% *  0.0168% (0.05   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    GLU- 100  21.23 +/- 0.64   0.001% *  0.0064% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 352 (1.67, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 209.8:
    *   T QD    LYS+  38 - HA    LYS+  38   3.74 +/- 0.07  80.938% * 97.9439% (1.00   5.75 209.82) =  99.995%  kept
        T QD    LYS+  38 - HA    GLU- 100   5.47 +/- 1.22  17.408% *  0.0206% (0.06   0.02   0.02) =   0.005%
          QD    LYS+ 102 - HA    LYS+  38  10.72 +/- 0.81   0.165% *  0.2730% (0.80   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HA    GLU- 100   7.80 +/- 0.75   1.447% *  0.0165% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  38  17.86 +/- 0.75   0.007% *  0.3057% (0.90   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    LYS+  38  19.97 +/- 0.71   0.004% *  0.3290% (0.97   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+  38  20.10 +/- 0.40   0.003% *  0.3147% (0.92   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+  38  22.34 +/- 0.55   0.002% *  0.1930% (0.57   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    LYS+  38  21.09 +/- 0.56   0.003% *  0.1163% (0.34   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    GLU- 100  17.53 +/- 0.68   0.008% *  0.0185% (0.05   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  38  26.75 +/- 0.35   0.001% *  0.2068% (0.61   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    GLU- 100  18.91 +/- 1.08   0.005% *  0.0199% (0.06   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  38  27.17 +/- 0.40   0.001% *  0.0759% (0.22   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  38  28.83 +/- 0.38   0.000% *  0.1052% (0.31   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    GLU- 100  21.79 +/- 0.55   0.002% *  0.0190% (0.06   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    GLU- 100  22.70 +/- 0.49   0.002% *  0.0117% (0.03   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    GLU- 100  21.62 +/- 0.80   0.002% *  0.0070% (0.02   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    GLU- 100  26.22 +/- 0.31   0.001% *  0.0125% (0.04   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    GLU- 100  27.47 +/- 0.42   0.001% *  0.0064% (0.02   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    GLU- 100  26.04 +/- 0.40   0.001% *  0.0046% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 353 (3.78, 2.18, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 209.8:
    * O T HA    LYS+  38 - HB2   LYS+  38   2.45 +/- 0.14  94.379% * 99.5673% (1.00   5.62 209.82) =  99.995%  kept
        T HA    GLU- 100 - HB2   LYS+  38   4.71 +/- 1.04   5.620% *  0.0789% (0.22   0.02   0.02) =   0.005%
          HA    VAL   24 - HB2   LYS+  38  20.73 +/- 0.45   0.000% *  0.2291% (0.65   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   LYS+  38  22.57 +/- 0.75   0.000% *  0.0701% (0.20   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   LYS+  38  29.15 +/- 0.31   0.000% *  0.0546% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 5.0, residual support = 209.8:
    * O T HB3   LYS+  38 - HB2   LYS+  38   1.75 +/- 0.00  99.996% * 97.4574% (1.00   5.00 209.82) = 100.000%  kept
          QB    LYS+  33 - HB2   LYS+  38  10.19 +/- 0.40   0.003% *  0.1603% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   LYS+  38  14.29 +/- 0.88   0.000% *  0.3688% (0.95   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   LYS+  38  16.26 +/- 0.75   0.000% *  0.2364% (0.61   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LYS+  38  14.61 +/- 0.88   0.000% *  0.0972% (0.25   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LYS+  38  15.45 +/- 0.61   0.000% *  0.1203% (0.31   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LYS+  38  16.41 +/- 0.73   0.000% *  0.0868% (0.22   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LYS+  38  27.79 +/- 0.37   0.000% *  0.3762% (0.97   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LYS+  38  26.26 +/- 0.54   0.000% *  0.2207% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   LYS+  38  28.02 +/- 0.37   0.000% *  0.2522% (0.65   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   LYS+  38  29.62 +/- 0.50   0.000% *  0.3256% (0.84   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB2   LYS+  38  29.26 +/- 0.94   0.000% *  0.1898% (0.49   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LYS+  38  33.17 +/- 0.42   0.000% *  0.1084% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (1.32, 2.18, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 209.8:
    * O T HG2   LYS+  38 - HB2   LYS+  38   2.80 +/- 0.12  95.111% * 98.0735% (1.00   5.62 209.82) =  99.982%  kept
        T HG2   LYS+  99 - HB2   LYS+  38   4.75 +/- 0.56   4.837% *  0.3419% (0.98   0.02   0.02) =   0.018%
          HB2   LEU   31 - HB2   LYS+  38  12.89 +/- 0.43   0.010% *  0.2533% (0.73   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+  38  11.81 +/- 1.92   0.037% *  0.0538% (0.15   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  38  20.90 +/- 0.55   0.001% *  0.2913% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  38  19.53 +/- 0.52   0.001% *  0.1564% (0.45   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  38  17.69 +/- 0.89   0.002% *  0.0777% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  38  20.24 +/- 0.60   0.001% *  0.1190% (0.34   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  38  22.21 +/- 0.46   0.000% *  0.1564% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  38  23.94 +/- 0.59   0.000% *  0.1975% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  38  28.31 +/- 0.64   0.000% *  0.2793% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 357 (1.26, 2.18, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 209.8:
    * O T HG3   LYS+  38 - HB2   LYS+  38   2.60 +/- 0.35  97.089% * 97.9757% (1.00   5.40 209.82) =  99.994%  kept
        T HG3   LYS+  99 - HB2   LYS+  38   5.40 +/- 0.56   1.914% *  0.1362% (0.38   0.02   0.02) =   0.003%
          QG2   THR   39 - HB2   LYS+  38   6.38 +/- 0.22   0.571% *  0.3253% (0.90   0.02  15.15) =   0.002%
          QB    ALA   34 - HB2   LYS+  38   6.85 +/- 0.32   0.417% *  0.2905% (0.80   0.02   0.02) =   0.001%
          HG    LEU   71 - HB2   LYS+  38  13.59 +/- 0.50   0.006% *  0.1120% (0.31   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  38  17.18 +/- 0.93   0.002% *  0.2054% (0.57   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  38  21.53 +/- 0.30   0.000% *  0.3432% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HB2   LYS+  38  21.64 +/- 0.54   0.000% *  0.1626% (0.45   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  38  25.55 +/- 1.01   0.000% *  0.3253% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  38  22.65 +/- 0.48   0.000% *  0.1237% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 5.62, residual support = 209.8:
    * O T HA    LYS+  38 - HB3   LYS+  38   3.00 +/- 0.14  97.473% * 99.5673% (1.00   5.62 209.82) =  99.998%  kept
        T HA    GLU- 100 - HB3   LYS+  38   6.04 +/- 0.91   2.526% *  0.0789% (0.22   0.02   0.02) =   0.002%
          HA    VAL   24 - HB3   LYS+  38  20.96 +/- 0.29   0.001% *  0.2291% (0.65   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   LYS+  38  23.22 +/- 0.61   0.000% *  0.0701% (0.20   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   LYS+  38  29.31 +/- 0.37   0.000% *  0.0546% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 5.0, residual support = 209.8:
    * O T HB2   LYS+  38 - HB3   LYS+  38   1.75 +/- 0.00  99.999% * 99.0563% (1.00   5.00 209.82) = 100.000%  kept
          HB    VAL   70 - HB3   LYS+  38  12.29 +/- 0.80   0.001% *  0.0784% (0.20   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   LYS+  38  18.09 +/- 0.65   0.000% *  0.2877% (0.73   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   LYS+  38  17.16 +/- 0.55   0.000% *  0.1352% (0.34   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   LYS+  38  17.68 +/- 1.01   0.000% *  0.0988% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   LYS+  38  22.57 +/- 0.63   0.000% *  0.1352% (0.34   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB3   LYS+  38  30.72 +/- 0.52   0.000% *  0.2085% (0.53   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 5.62, residual support = 209.8:
    * O T HG2   LYS+  38 - HB3   LYS+  38   2.91 +/- 0.18  97.940% * 98.0735% (1.00   5.62 209.82) =  99.993%  kept
        T HG2   LYS+  99 - HB3   LYS+  38   5.83 +/- 0.60   2.014% *  0.3419% (0.98   0.02   0.02) =   0.007%
          HB2   LEU   31 - HB3   LYS+  38  13.19 +/- 0.32   0.012% *  0.2533% (0.73   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+  38  12.82 +/- 1.78   0.028% *  0.0538% (0.15   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  38  21.75 +/- 0.38   0.001% *  0.2913% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  38  19.69 +/- 0.59   0.001% *  0.1564% (0.45   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  38  17.76 +/- 0.94   0.002% *  0.0777% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  38  20.56 +/- 0.56   0.001% *  0.1190% (0.34   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  38  22.65 +/- 0.31   0.000% *  0.1564% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  38  24.25 +/- 0.50   0.000% *  0.1975% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  38  29.22 +/- 0.44   0.000% *  0.2793% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 363 (1.26, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 209.8:
    * O T HG3   LYS+  38 - HB3   LYS+  38   2.66 +/- 0.27  97.895% * 97.9757% (1.00   5.40 209.82) =  99.995%  kept
          QG2   THR   39 - HB3   LYS+  38   5.87 +/- 0.16   0.959% *  0.3253% (0.90   0.02  15.15) =   0.003%
          QB    ALA   34 - HB3   LYS+  38   6.90 +/- 0.23   0.364% *  0.2905% (0.80   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HB3   LYS+  38   6.46 +/- 0.74   0.772% *  0.1362% (0.38   0.02   0.02) =   0.001%
          HG    LEU   71 - HB3   LYS+  38  13.06 +/- 0.56   0.008% *  0.1120% (0.31   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB3   LYS+  38  16.61 +/- 0.99   0.002% *  0.2054% (0.57   0.02   0.02) =   0.000%
        T QG2   ILE   56 - HB3   LYS+  38  21.86 +/- 0.24   0.000% *  0.3432% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HB3   LYS+  38  21.59 +/- 0.49   0.000% *  0.1626% (0.45   0.02   0.02) =   0.000%
          QB    ALA   91 - HB3   LYS+  38  26.20 +/- 0.91   0.000% *  0.3253% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB3   LYS+  38  22.69 +/- 0.46   0.000% *  0.1237% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 209.8:
    * O T QD    LYS+  38 - HB3   LYS+  38   2.41 +/- 0.25  99.992% * 97.6267% (1.00   4.63 209.82) = 100.000%  kept
          QD    LYS+ 102 - HB3   LYS+  38  12.45 +/- 1.08   0.007% *  0.3375% (0.80   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB3   LYS+  38  18.51 +/- 0.89   0.001% *  0.3780% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LYS+  38  20.26 +/- 0.54   0.000% *  0.3891% (0.92   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+  38  22.76 +/- 0.70   0.000% *  0.4068% (0.97   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LYS+  38  22.28 +/- 0.62   0.000% *  0.2386% (0.57   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB3   LYS+  38  22.95 +/- 0.75   0.000% *  0.1438% (0.34   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+  38  28.70 +/- 0.32   0.000% *  0.2556% (0.61   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LYS+  38  30.56 +/- 0.43   0.000% *  0.1301% (0.31   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LYS+  38  29.39 +/- 0.38   0.000% *  0.0938% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 365 (3.78, 1.32, 25.69 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.63, residual support = 209.8:
    * O T HA    LYS+  38 - HG2   LYS+  38   2.52 +/- 0.18  89.343% * 99.4517% (1.00   6.63 209.82) =  99.993%  kept
        T HA    GLU- 100 - HG2   LYS+  38   4.77 +/- 0.91   4.070% *  0.0668% (0.22   0.02   0.02) =   0.003%
        T HA    LYS+  38 - HG2   LYS+  99   4.52 +/- 0.46   3.180% *  0.0818% (0.27   0.02   0.02) =   0.003%
        T HA    GLU- 100 - HG2   LYS+  99   4.40 +/- 0.22   3.406% *  0.0182% (0.06   0.02  40.23) =   0.001%
          HA    VAL   24 - HG2   LYS+  38  19.62 +/- 0.47   0.000% *  0.1941% (0.65   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   LYS+  99  19.25 +/- 0.42   0.000% *  0.0529% (0.18   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  38  21.79 +/- 0.75   0.000% *  0.0594% (0.20   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  99  20.15 +/- 0.48   0.000% *  0.0162% (0.05   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  38  30.47 +/- 0.33   0.000% *  0.0463% (0.15   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  99  25.48 +/- 0.42   0.000% *  0.0126% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 5.62, residual support = 209.8:
    * O T HB2   LYS+  38 - HG2   LYS+  38   2.80 +/- 0.12  95.082% * 98.8388% (1.00   5.62 209.82) =  99.995%  kept
        T HB2   LYS+  38 - HG2   LYS+  99   4.75 +/- 0.56   4.838% *  0.0958% (0.27   0.02   0.02) =   0.005%
          HB    VAL   70 - HG2   LYS+  99   9.89 +/- 0.77   0.061% *  0.0190% (0.05   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  38  16.50 +/- 0.47   0.002% *  0.2553% (0.73   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  38  13.94 +/- 0.73   0.007% *  0.0696% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  38  15.83 +/- 0.47   0.003% *  0.1199% (0.34   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  38  18.76 +/- 1.09   0.001% *  0.0877% (0.25   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  99  18.55 +/- 0.75   0.001% *  0.0696% (0.20   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  38  21.12 +/- 0.67   0.001% *  0.1199% (0.34   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  99  17.61 +/- 0.59   0.002% *  0.0327% (0.09   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  99  17.35 +/- 0.92   0.002% *  0.0239% (0.07   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  99  22.25 +/- 0.49   0.000% *  0.0327% (0.09   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  38  30.03 +/- 0.66   0.000% *  0.1849% (0.53   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  99  26.49 +/- 0.52   0.000% *  0.0504% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 5.62, residual support = 209.8:
    * O T HB3   LYS+  38 - HG2   LYS+  38   2.91 +/- 0.18  97.683% * 97.0414% (1.00   5.62 209.82) =  99.998%  kept
        T HB3   LYS+  38 - HG2   LYS+  99   5.83 +/- 0.60   2.008% *  0.0941% (0.27   0.02   0.02) =   0.002%
          QB    LYS+  33 - HG2   LYS+  38   8.91 +/- 0.31   0.129% *  0.1419% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  38  13.41 +/- 0.80   0.012% *  0.3265% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   LYS+  99  11.09 +/- 0.46   0.035% *  0.0387% (0.11   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  99  10.82 +/- 0.35   0.039% *  0.0290% (0.08   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  99  13.37 +/- 0.94   0.012% *  0.0890% (0.26   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  99  12.24 +/- 0.36   0.019% *  0.0570% (0.17   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  99  10.61 +/- 0.20   0.044% *  0.0235% (0.07   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  38  17.22 +/- 0.73   0.003% *  0.2093% (0.61   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  38  15.43 +/- 0.89   0.005% *  0.0861% (0.25   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  38  17.19 +/- 0.53   0.003% *  0.1065% (0.31   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  38  18.13 +/- 0.66   0.002% *  0.0768% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  99  15.36 +/- 0.48   0.005% *  0.0209% (0.06   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  38  25.69 +/- 0.56   0.000% *  0.1954% (0.57   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  38  29.02 +/- 0.40   0.000% *  0.3331% (0.97   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  99  23.70 +/- 0.38   0.000% *  0.0908% (0.26   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  38  30.35 +/- 0.44   0.000% *  0.2883% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  38  29.63 +/- 0.32   0.000% *  0.2233% (0.65   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  99  25.43 +/- 0.41   0.000% *  0.0786% (0.23   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  99  23.89 +/- 0.33   0.000% *  0.0533% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  99  24.45 +/- 0.38   0.000% *  0.0608% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  38  29.29 +/- 1.01   0.000% *  0.1680% (0.49   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  99  25.70 +/- 0.58   0.000% *  0.0458% (0.13   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  38  34.10 +/- 0.53   0.000% *  0.0960% (0.28   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  99  29.58 +/- 0.56   0.000% *  0.0262% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.914, support = 6.44, residual support = 206.4:
    * O T HG3   LYS+  38 - HG2   LYS+  38   1.75 +/- 0.00  49.940% * 88.6357% (1.00   6.42 209.82) =  90.452%  kept
      O T HG3   LYS+  99 - HG2   LYS+  99   1.75 +/- 0.00  49.940% *  9.3559% (0.10   6.62 173.87) =   9.548%  kept
          QB    ALA   34 - HG2   LYS+  38   6.57 +/- 0.28   0.019% *  0.2212% (0.80   0.02   0.02) =   0.000%
          QG2   THR   39 - HG2   LYS+  38   7.28 +/- 0.26   0.010% *  0.2477% (0.90   0.02  15.15) =   0.000%
          QG2   THR   39 - HG2   LYS+  99   6.03 +/- 0.44   0.033% *  0.0675% (0.24   0.02   0.02) =   0.000%
          QB    ALA   34 - HG2   LYS+  99   6.07 +/- 0.44   0.032% *  0.0603% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HG2   LYS+  99   6.91 +/- 0.57   0.015% *  0.0753% (0.27   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+  38   7.37 +/- 0.60   0.010% *  0.1037% (0.38   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  38  13.65 +/- 0.58   0.000% *  0.0853% (0.31   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  38  17.04 +/- 0.93   0.000% *  0.1564% (0.57   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  99  12.70 +/- 0.59   0.000% *  0.0232% (0.08   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  99  16.29 +/- 1.00   0.000% *  0.0426% (0.15   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  38  22.47 +/- 0.32   0.000% *  0.2613% (0.95   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  99  18.22 +/- 0.34   0.000% *  0.0712% (0.26   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  38  20.67 +/- 0.55   0.000% *  0.1238% (0.45   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  38  25.91 +/- 1.01   0.000% *  0.2477% (0.90   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  38  22.94 +/- 0.46   0.000% *  0.0942% (0.34   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  99  22.23 +/- 0.88   0.000% *  0.0675% (0.24   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  99  20.65 +/- 0.56   0.000% *  0.0338% (0.12   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  99  19.83 +/- 0.73   0.000% *  0.0257% (0.09   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 = 209.8:
    * O T QD    LYS+  38 - HG2   LYS+  38   2.34 +/- 0.11  99.619% * 97.4780% (1.00   5.75 209.82) = 100.000%  kept
        T QD    LYS+  38 - HG2   LYS+  99   6.51 +/- 0.81   0.323% *  0.0924% (0.27   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  99   8.59 +/- 0.54   0.046% *  0.0740% (0.22   0.02   1.99) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  38  11.72 +/- 1.17   0.008% *  0.2715% (0.80   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  99  13.70 +/- 0.77   0.003% *  0.0829% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  38  20.11 +/- 0.81   0.000% *  0.3041% (0.90   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  38  21.56 +/- 0.74   0.000% *  0.3272% (0.97   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  38  21.89 +/- 0.46   0.000% *  0.3130% (0.92   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  99  18.82 +/- 0.57   0.000% *  0.0853% (0.25   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  99  19.86 +/- 0.74   0.000% *  0.0892% (0.26   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  99  18.51 +/- 0.52   0.000% *  0.0523% (0.15   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  38  24.42 +/- 0.53   0.000% *  0.1920% (0.57   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  38  23.20 +/- 0.54   0.000% *  0.1157% (0.34   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  99  20.20 +/- 0.66   0.000% *  0.0315% (0.09   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  38  29.17 +/- 0.43   0.000% *  0.2057% (0.61   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  99  24.18 +/- 0.35   0.000% *  0.0560% (0.17   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  99  25.06 +/- 0.47   0.000% *  0.0285% (0.08   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  38  29.52 +/- 0.53   0.000% *  0.0755% (0.22   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  38  31.21 +/- 0.55   0.000% *  0.1047% (0.31   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  99  24.47 +/- 0.34   0.000% *  0.0206% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (3.78, 1.26, 25.69 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.32, residual support = 209.8:
    * O T HA    LYS+  38 - HG3   LYS+  38   3.30 +/- 0.34  79.430% * 99.5421% (1.00   6.32 209.82) =  99.990%  kept
        T HA    GLU- 100 - HG3   LYS+  38   5.42 +/- 1.16   7.130% *  0.0701% (0.22   0.02   0.02) =   0.006%
        T HA    LYS+  38 - HG3   LYS+  99   5.35 +/- 0.62   6.340% *  0.0329% (0.10   0.02   0.02) =   0.003%
        T HA    GLU- 100 - HG3   LYS+  99   5.08 +/- 0.39   7.094% *  0.0073% (0.02   0.02  40.23) =   0.001%
          HA    VAL   24 - HG3   LYS+  38  20.75 +/- 0.54   0.001% *  0.2038% (0.65   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  38  22.89 +/- 0.79   0.001% *  0.0623% (0.20   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   LYS+  99  19.82 +/- 0.92   0.002% *  0.0213% (0.07   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  99  20.54 +/- 0.77   0.002% *  0.0065% (0.02   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  38  30.99 +/- 0.43   0.000% *  0.0486% (0.15   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  99  25.44 +/- 0.90   0.000% *  0.0051% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 372 (2.18, 1.26, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 209.8:
    * O T HB2   LYS+  38 - HG3   LYS+  38   2.60 +/- 0.35  97.982% * 98.9976% (1.00   5.40 209.82) =  99.999%  kept
        T HB2   LYS+  38 - HG3   LYS+  99   5.40 +/- 0.56   1.942% *  0.0383% (0.10   0.02   0.02) =   0.001%
          HB    VAL   70 - HG3   LYS+  99  10.05 +/- 1.12   0.062% *  0.0076% (0.02   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  38  14.26 +/- 0.85   0.006% *  0.0725% (0.20   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  38  17.58 +/- 0.71   0.002% *  0.2662% (0.73   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  38  16.89 +/- 0.78   0.002% *  0.1250% (0.34   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  38  19.15 +/- 1.27   0.001% *  0.0914% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  38  22.22 +/- 0.79   0.000% *  0.1250% (0.34   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  99  19.27 +/- 1.17   0.001% *  0.0278% (0.08   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  99  17.70 +/- 1.44   0.002% *  0.0095% (0.03   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  99  18.35 +/- 1.10   0.001% *  0.0130% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  38  30.99 +/- 0.67   0.000% *  0.1929% (0.53   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  99  22.92 +/- 1.16   0.000% *  0.0130% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  99  26.64 +/- 0.65   0.000% *  0.0201% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 373 (1.88, 1.26, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 209.8:
    * O T HB3   LYS+  38 - HG3   LYS+  38   2.66 +/- 0.27  99.056% * 97.3656% (1.00   5.40 209.82) = 100.000%  kept
        T HB3   LYS+  38 - HG3   LYS+  99   6.46 +/- 0.74   0.782% *  0.0376% (0.10   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  38   9.70 +/- 0.68   0.047% *  0.1482% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  38  14.45 +/- 0.93   0.005% *  0.3410% (0.95   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  99  10.51 +/- 0.48   0.030% *  0.0116% (0.03   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  38  17.79 +/- 0.85   0.001% *  0.2187% (0.61   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  99  10.45 +/- 0.47   0.033% *  0.0094% (0.03   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  99  12.10 +/- 0.43   0.013% *  0.0228% (0.06   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  99  11.79 +/- 1.13   0.017% *  0.0155% (0.04   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  38  16.03 +/- 1.01   0.003% *  0.0899% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  99  14.04 +/- 1.47   0.006% *  0.0356% (0.10   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  38  17.58 +/- 0.63   0.001% *  0.1113% (0.31   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  38  18.05 +/- 0.84   0.001% *  0.0803% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  99  15.46 +/- 1.03   0.003% *  0.0084% (0.02   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  38  26.66 +/- 0.60   0.000% *  0.2041% (0.57   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  38  29.63 +/- 0.38   0.000% *  0.3479% (0.97   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  38  31.15 +/- 0.66   0.000% *  0.3011% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  38  30.00 +/- 0.50   0.000% *  0.2332% (0.65   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  38  30.25 +/- 0.85   0.000% *  0.1755% (0.49   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  99  23.62 +/- 0.75   0.000% *  0.0363% (0.10   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  99  25.40 +/- 0.59   0.000% *  0.0314% (0.09   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  99  24.34 +/- 0.88   0.000% *  0.0243% (0.07   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  99  24.21 +/- 0.70   0.000% *  0.0213% (0.06   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  99  25.83 +/- 0.87   0.000% *  0.0183% (0.05   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  38  34.77 +/- 0.46   0.000% *  0.1002% (0.28   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  99  29.62 +/- 1.01   0.000% *  0.0105% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 0.914, support = 6.44, residual support = 206.4:
    * O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  49.981% * 88.9229% (1.00   6.42 209.82) =  90.452%  kept
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  49.981% *  9.3862% (0.10   6.62 173.87) =   9.548%  kept
        T HG2   LYS+  99 - HG3   LYS+  38   6.91 +/- 0.57   0.015% *  0.2716% (0.98   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG3   LYS+  99   7.37 +/- 0.60   0.010% *  0.0289% (0.10   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.69 +/- 0.60   0.000% *  0.2012% (0.73   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   8.18 +/- 1.25   0.010% *  0.0045% (0.02   0.02  18.01) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  13.15 +/- 1.95   0.001% *  0.0428% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  12.87 +/- 0.80   0.000% *  0.0210% (0.08   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  21.77 +/- 0.69   0.000% *  0.2315% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  21.48 +/- 0.68   0.000% *  0.1242% (0.45   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  19.59 +/- 0.95   0.000% *  0.0617% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  21.87 +/- 0.61   0.000% *  0.0945% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  15.89 +/- 0.97   0.000% *  0.0130% (0.05   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  23.15 +/- 0.49   0.000% *  0.1242% (0.45   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  17.80 +/- 0.45   0.000% *  0.0242% (0.09   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  24.37 +/- 0.67   0.000% *  0.1569% (0.57   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  15.34 +/- 0.75   0.000% *  0.0064% (0.02   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  16.62 +/- 1.14   0.000% *  0.0099% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  30.22 +/- 0.75   0.000% *  0.2219% (0.80   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  19.44 +/- 0.72   0.000% *  0.0130% (0.05   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  22.04 +/- 0.94   0.000% *  0.0164% (0.06   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  23.45 +/- 0.48   0.000% *  0.0232% (0.08   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 375 (1.26, 1.26, 25.69 ppm):
    2 diagonal assignments:
    *     HG3   LYS+  38 - HG3   LYS+  38  (1.00)  kept
          HG3   LYS+  99 - HG3   LYS+  99  (0.04)  kept
 
    Peak 376 (1.67, 1.26, 25.69 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.41, residual support = 209.8:
    * O T QD    LYS+  38 - HG3   LYS+  38   2.42 +/- 0.09  99.692% * 97.7161% (1.00   5.41 209.82) = 100.000%  kept
        T QD    LYS+  38 - HG3   LYS+  99   7.02 +/- 0.78   0.215% *  0.0377% (0.10   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+  38  12.08 +/- 1.29   0.009% *  0.2892% (0.80   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  99   8.35 +/- 0.96   0.077% *  0.0302% (0.08   0.02   1.99) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  99  13.24 +/- 0.69   0.004% *  0.0338% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  38  20.21 +/- 0.84   0.000% *  0.3239% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  38  22.10 +/- 0.61   0.000% *  0.3334% (0.92   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  38  22.66 +/- 0.79   0.000% *  0.3486% (0.97   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  38  24.31 +/- 0.63   0.000% *  0.2045% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  99  18.91 +/- 0.95   0.000% *  0.0348% (0.10   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  38  24.04 +/- 0.76   0.000% *  0.1232% (0.34   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  99  18.03 +/- 0.53   0.001% *  0.0213% (0.06   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  99  20.28 +/- 1.13   0.000% *  0.0364% (0.10   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  38  29.88 +/- 0.47   0.000% *  0.2191% (0.61   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  99  20.53 +/- 1.16   0.000% *  0.0129% (0.04   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  99  24.16 +/- 0.82   0.000% *  0.0229% (0.06   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  38  31.69 +/- 0.63   0.000% *  0.1115% (0.31   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  38  30.29 +/- 0.58   0.000% *  0.0804% (0.22   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  99  24.73 +/- 0.36   0.000% *  0.0116% (0.03   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  99  24.43 +/- 0.62   0.000% *  0.0084% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 377 (3.78, 1.67, 29.90 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 209.8:
    *   T HA    LYS+  38 - QD    LYS+  38   3.74 +/- 0.07  82.133% * 99.2120% (1.00   5.75 209.82) =  99.983%  kept
        T HA    GLU- 100 - QD    LYS+  38   5.47 +/- 1.22  17.523% *  0.0769% (0.22   0.02   0.02) =   0.017%
          HA    VAL   24 - HD2   LYS+  74  12.68 +/- 1.25   0.066% *  0.0490% (0.14   0.02   0.02) =   0.000%
        T HD2   PRO   58 - QD    LYS+  65  11.23 +/- 0.89   0.143% *  0.0097% (0.03   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  38  19.27 +/- 0.57   0.005% *  0.2234% (0.65   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   LYS+  74  12.67 +/- 0.96   0.065% *  0.0117% (0.03   0.02   0.02) =   0.000%
        T HA    VAL   83 - HD2   LYS+  74  14.88 +/- 1.41   0.024% *  0.0150% (0.04   0.02   0.02) =   0.000%
        T HA    LYS+  38 - QD    LYS+  65  20.10 +/- 0.40   0.004% *  0.0631% (0.18   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+  74  21.09 +/- 0.56   0.003% *  0.0757% (0.22   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  38  21.20 +/- 0.65   0.002% *  0.0683% (0.20   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  65  21.89 +/- 0.94   0.002% *  0.0408% (0.12   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD2   LYS+ 111  14.87 +/- 0.38   0.021% *  0.0040% (0.01   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+  74  21.62 +/- 0.80   0.002% *  0.0169% (0.05   0.02   0.02) =   0.000%
        T HA    GLU- 100 - QD    LYS+  65  21.79 +/- 0.55   0.002% *  0.0140% (0.04   0.02   0.02) =   0.000%
        T HD2   PRO   58 - QD    LYS+  38  27.98 +/- 0.30   0.000% *  0.0533% (0.15   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  65  24.37 +/- 1.13   0.001% *  0.0125% (0.04   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+ 111  28.83 +/- 0.38   0.000% *  0.0260% (0.08   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+ 111  27.08 +/- 0.54   0.001% *  0.0168% (0.05   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   LYS+ 111  23.72 +/- 0.45   0.001% *  0.0051% (0.01   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+ 111  27.47 +/- 0.42   0.001% *  0.0058% (0.02   0.02   0.02) =   0.000%
    Distance limit 5.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 378 (2.18, 1.67, 29.90 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 209.8:
    * O   HB2   LYS+  38 - QD    LYS+  38   2.72 +/- 0.50  97.196% * 98.3042% (1.00   4.63 209.82) =  99.999%  kept
          QG    GLN   17 - QD    LYS+  65   6.54 +/- 1.45   2.614% *  0.0193% (0.05   0.02   0.02) =   0.001%
          QG    GLN   17 - HD2   LYS+  74  10.25 +/- 1.23   0.062% *  0.0232% (0.05   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  38  16.37 +/- 0.82   0.004% *  0.3082% (0.73   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  38  12.98 +/- 0.70   0.014% *  0.0840% (0.20   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  65  10.07 +/- 0.74   0.063% *  0.0153% (0.04   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  38  15.74 +/- 0.85   0.005% *  0.1448% (0.34   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+  74  14.94 +/- 1.78   0.007% *  0.0490% (0.12   0.02   0.02) =   0.000%
          QG    GLN   17 - QD    LYS+  38  17.34 +/- 1.18   0.003% *  0.1058% (0.25   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+  74  13.62 +/- 1.43   0.011% *  0.0184% (0.04   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+  74  16.97 +/- 1.15   0.003% *  0.0676% (0.16   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+  74  15.69 +/- 1.16   0.005% *  0.0317% (0.07   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+  74  15.55 +/- 0.73   0.005% *  0.0317% (0.07   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  38  20.53 +/- 0.87   0.001% *  0.1448% (0.34   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QD    LYS+  65  20.67 +/- 0.46   0.001% *  0.0775% (0.18   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+ 111  17.93 +/- 1.43   0.003% *  0.0168% (0.04   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+  74  22.94 +/- 0.65   0.000% *  0.0931% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  38  28.36 +/- 0.54   0.000% *  0.2233% (0.53   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  65  22.87 +/- 1.49   0.000% *  0.0563% (0.13   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  65  21.14 +/- 0.83   0.001% *  0.0264% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  65  24.54 +/- 1.15   0.000% *  0.0408% (0.10   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  65  23.61 +/- 1.08   0.000% *  0.0264% (0.06   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+ 111  22.10 +/- 0.43   0.001% *  0.0063% (0.01   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+ 111  29.68 +/- 0.55   0.000% *  0.0319% (0.08   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+ 111  24.76 +/- 0.54   0.000% *  0.0080% (0.02   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+ 111  32.75 +/- 0.83   0.000% *  0.0232% (0.05   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+ 111  31.84 +/- 0.64   0.000% *  0.0109% (0.03   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+ 111  32.47 +/- 0.50   0.000% *  0.0109% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.61 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 = 209.8:
    * O T HB3   LYS+  38 - QD    LYS+  38   2.41 +/- 0.25  99.706% * 95.8167% (1.00   4.63 209.82) = 100.000%  kept
          QB    LYS+  33 - QD    LYS+  38   9.15 +/- 0.95   0.036% *  0.1701% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  65   8.01 +/- 0.68   0.104% *  0.0168% (0.04   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  65   9.44 +/- 0.87   0.034% *  0.0489% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  38  13.56 +/- 0.94   0.004% *  0.3913% (0.95   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+  74  12.21 +/- 0.59   0.008% *  0.0875% (0.21   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+ 111  10.17 +/- 0.25   0.021% *  0.0300% (0.07   0.02   2.31) =   0.000%
          HB3   GLN   30 - HD2   LYS+  74  12.05 +/- 0.47   0.007% *  0.0858% (0.21   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+ 111  10.37 +/- 0.81   0.020% *  0.0260% (0.06   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  38  16.31 +/- 0.79   0.001% *  0.2509% (0.61   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  38  14.78 +/- 1.17   0.003% *  0.1032% (0.25   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+  74  13.54 +/- 1.63   0.005% *  0.0514% (0.12   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HD2   LYS+ 111  11.21 +/- 0.35   0.012% *  0.0189% (0.05   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  38  16.00 +/- 0.84   0.002% *  0.1277% (0.31   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+  74  14.63 +/- 1.07   0.002% *  0.0758% (0.18   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  65  14.53 +/- 0.96   0.002% *  0.0729% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+  74  14.77 +/- 1.27   0.003% *  0.0587% (0.14   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   LYS+  74  14.30 +/- 0.70   0.003% *  0.0550% (0.13   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+  74  12.97 +/- 0.96   0.005% *  0.0252% (0.06   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  38  16.03 +/- 0.80   0.001% *  0.0921% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+  74  15.15 +/- 1.53   0.002% *  0.0442% (0.11   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   LYS+  74  15.08 +/- 0.56   0.002% *  0.0373% (0.09   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  65  17.38 +/- 0.77   0.001% *  0.0715% (0.17   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  65  15.32 +/- 1.07   0.002% *  0.0210% (0.05   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  65  17.39 +/- 0.69   0.001% *  0.0458% (0.11   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  65  16.73 +/- 0.70   0.001% *  0.0311% (0.08   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+ 111  15.62 +/- 0.49   0.002% *  0.0201% (0.05   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+  74  16.64 +/- 0.99   0.001% *  0.0280% (0.07   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  65  16.46 +/- 0.69   0.001% *  0.0233% (0.06   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QD    LYS+  65  20.26 +/- 0.54   0.000% *  0.0756% (0.18   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  38  24.46 +/- 0.47   0.000% *  0.2342% (0.57   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+ 111  14.36 +/- 0.59   0.003% *  0.0096% (0.02   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  38  26.85 +/- 0.35   0.000% *  0.3992% (0.97   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  38  27.01 +/- 0.29   0.000% *  0.2676% (0.65   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  38  28.33 +/- 0.46   0.000% *  0.3455% (0.84   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  65  21.21 +/- 1.28   0.000% *  0.0631% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+ 111  17.39 +/- 1.52   0.001% *  0.0152% (0.04   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+  74  22.95 +/- 0.75   0.000% *  0.0907% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+  74  18.46 +/- 1.65   0.001% *  0.0202% (0.05   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  38  27.69 +/- 0.89   0.000% *  0.2014% (0.49   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+  74  19.71 +/- 0.53   0.000% *  0.0226% (0.05   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+ 111  17.19 +/- 0.95   0.001% *  0.0087% (0.02   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  65  23.11 +/- 0.99   0.000% *  0.0428% (0.10   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+ 111  18.43 +/- 0.53   0.001% *  0.0078% (0.02   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  65  24.53 +/- 1.14   0.000% *  0.0368% (0.09   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+ 111  21.71 +/- 0.58   0.000% *  0.0176% (0.04   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  65  22.41 +/- 0.73   0.000% *  0.0188% (0.05   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  38  31.45 +/- 0.53   0.000% *  0.1150% (0.28   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+ 111  26.99 +/- 0.34   0.000% *  0.0295% (0.07   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+ 111  30.56 +/- 0.43   0.000% *  0.0311% (0.08   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   LYS+ 111  27.84 +/- 0.43   0.000% *  0.0128% (0.03   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+ 111  26.95 +/- 0.52   0.000% *  0.0069% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 380 (1.32, 1.67, 29.90 ppm):
    44 chemical-shift based assignments, quality = 0.982, support = 5.64, residual support = 206.0:
    * O T HG2   LYS+  38 - QD    LYS+  38   2.34 +/- 0.11  77.299% * 91.3340% (1.00   5.75 209.82) =  98.172%  kept
      O T HG2   LYS+ 111 - HD2   LYS+ 111   2.90 +/- 0.09  22.109% *  5.9414% (0.06   6.21 312.62) =   1.827%
        T HG2   LYS+  99 - QD    LYS+  38   6.51 +/- 0.81   0.246% *  0.3114% (0.98   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HD2   LYS+  74   7.05 +/- 0.79   0.138% *  0.0238% (0.07   0.02   0.23) =   0.000%
          QG2   THR   77 - HD2   LYS+  74   7.78 +/- 1.28   0.092% *  0.0312% (0.10   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.38 +/- 0.73   0.046% *  0.0260% (0.08   0.02   1.35) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  12.10 +/- 0.47   0.004% *  0.2307% (0.73   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+  74  10.15 +/- 1.78   0.023% *  0.0394% (0.12   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  12.36 +/- 1.82   0.008% *  0.0490% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+  74  11.11 +/- 1.61   0.011% *  0.0312% (0.10   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  11.76 +/- 1.11   0.006% *  0.0198% (0.06   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+  74  14.71 +/- 0.80   0.001% *  0.0582% (0.18   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  19.97 +/- 0.51   0.000% *  0.2654% (0.84   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  12.56 +/- 1.15   0.004% *  0.0129% (0.04   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  13.34 +/- 0.63   0.002% *  0.0200% (0.06   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+  74  15.96 +/- 0.59   0.001% *  0.0506% (0.16   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  17.25 +/- 0.89   0.001% *  0.0707% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  19.47 +/- 0.43   0.000% *  0.1424% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  19.99 +/- 0.45   0.000% *  0.1084% (0.34   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  13.74 +/- 0.40   0.002% *  0.0107% (0.03   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  21.19 +/- 0.42   0.000% *  0.1424% (0.45   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  16.29 +/- 1.00   0.001% *  0.0260% (0.08   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  22.50 +/- 0.43   0.000% *  0.1799% (0.57   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  18.82 +/- 0.57   0.000% *  0.0569% (0.18   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HD2   LYS+  74  18.91 +/- 0.46   0.000% *  0.0558% (0.18   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+  74  20.20 +/- 0.66   0.000% *  0.0683% (0.21   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  15.04 +/- 0.41   0.001% *  0.0082% (0.03   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+  74  16.05 +/- 1.14   0.001% *  0.0107% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  15.96 +/- 0.58   0.001% *  0.0107% (0.03   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  27.37 +/- 0.72   0.000% *  0.2544% (0.80   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  21.02 +/- 0.73   0.000% *  0.0485% (0.15   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.89 +/- 0.46   0.000% *  0.0580% (0.18   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  21.26 +/- 0.87   0.000% *  0.0465% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  21.18 +/- 0.65   0.000% *  0.0421% (0.13   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+  74  23.20 +/- 0.54   0.000% *  0.0697% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  21.07 +/- 1.29   0.000% *  0.0329% (0.10   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  19.25 +/- 0.73   0.000% *  0.0090% (0.03   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+  74  21.70 +/- 1.31   0.000% *  0.0155% (0.05   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  25.06 +/- 0.47   0.000% *  0.0234% (0.07   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.84 +/- 0.75   0.000% *  0.0053% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  23.96 +/- 1.27   0.000% *  0.0135% (0.04   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  19.94 +/- 1.54   0.000% *  0.0037% (0.01   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  27.63 +/- 0.50   0.000% *  0.0174% (0.05   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  31.21 +/- 0.55   0.000% *  0.0239% (0.08   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 0.954, support = 5.42, residual support = 208.1:
    * O T HG3   LYS+  38 - QD    LYS+  38   2.42 +/- 0.09  58.911% * 90.2044% (1.00   5.41 209.82) =  94.981%  kept
      O T HG2   LYS+  74 - HD2   LYS+  74   2.58 +/- 0.07  40.611% *  6.9129% (0.07   5.54 176.04) =   5.018%  kept
          QG2   THR   39 - QD    LYS+  38   6.91 +/- 0.51   0.126% *  0.2990% (0.90   0.02  15.15) =   0.001%
          QB    ALA   34 - QD    LYS+  38   7.15 +/- 0.37   0.096% *  0.2670% (0.80   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  38   7.02 +/- 0.78   0.125% *  0.1251% (0.38   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74   8.28 +/- 0.53   0.039% *  0.0692% (0.21   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74   9.98 +/- 0.95   0.015% *  0.0414% (0.12   0.02   8.34) =   0.000%
          QG2   ILE   56 - QD    LYS+  65  11.06 +/- 0.84   0.008% *  0.0576% (0.17   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+ 111   9.64 +/- 0.18   0.015% *  0.0237% (0.07   0.02   2.31) =   0.000%
          QG2   THR   23 - HD2   LYS+  74  10.96 +/- 1.18   0.009% *  0.0328% (0.10   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  13.24 +/- 0.89   0.003% *  0.1029% (0.31   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  65  11.87 +/- 0.53   0.004% *  0.0546% (0.16   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+ 111  11.13 +/- 1.04   0.009% *  0.0225% (0.07   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+  74  12.84 +/- 0.55   0.003% *  0.0586% (0.18   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  13.29 +/- 0.88   0.002% *  0.0656% (0.20   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.99 +/- 0.75   0.004% *  0.0345% (0.10   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  16.29 +/- 1.11   0.001% *  0.1888% (0.57   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  11.59 +/- 0.93   0.006% *  0.0226% (0.07   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  14.11 +/- 0.86   0.002% *  0.0656% (0.20   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  12.63 +/- 1.36   0.004% *  0.0208% (0.06   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  12.25 +/- 0.74   0.004% *  0.0188% (0.06   0.02   0.02) =   0.000%
          QB    ALA   34 - QD    LYS+  65  14.28 +/- 0.48   0.001% *  0.0488% (0.15   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.89 +/- 0.27   0.000% *  0.3154% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  38  19.83 +/- 0.68   0.000% *  0.1495% (0.45   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  24.27 +/- 0.87   0.000% *  0.2990% (0.90   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.77 +/- 0.58   0.000% *  0.1137% (0.34   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  65  19.78 +/- 1.24   0.000% *  0.0546% (0.16   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  65  18.91 +/- 0.85   0.000% *  0.0273% (0.08   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+  65  22.10 +/- 0.61   0.000% *  0.0609% (0.18   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  18.91 +/- 0.95   0.000% *  0.0229% (0.07   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  20.53 +/- 1.16   0.000% *  0.0274% (0.08   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  24.04 +/- 0.76   0.000% *  0.0731% (0.22   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+ 111  21.96 +/- 0.31   0.000% *  0.0201% (0.06   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+ 111  22.44 +/- 0.40   0.000% *  0.0225% (0.07   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  20.16 +/- 0.48   0.000% *  0.0086% (0.03   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+ 111  25.49 +/- 0.42   0.000% *  0.0113% (0.03   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  24.73 +/- 0.36   0.000% *  0.0094% (0.03   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  27.52 +/- 0.39   0.000% *  0.0142% (0.04   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+ 111  31.69 +/- 0.63   0.000% *  0.0251% (0.08   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.58 +/- 0.53   0.000% *  0.0077% (0.02   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 34.3:
    * O T HB    THR   39 - HA    THR   39   3.03 +/- 0.11  93.342% * 95.5780% (1.00   3.00  34.36) =  99.955%  kept
          HB3   SER   37 - HA    THR   39   4.84 +/- 0.54   6.553% *  0.6149% (0.97   0.02   2.73) =   0.045%
          QB    SER   13 - HA    THR   39  14.95 +/- 1.50   0.008% *  0.6358% (1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   39  11.47 +/- 0.50   0.033% *  0.1589% (0.25   0.02   0.02) =   0.000%
        T HB    THR   39 - HA    ILE  103  12.38 +/- 0.43   0.021% *  0.2105% (0.33   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ILE  103  12.85 +/- 0.20   0.016% *  0.1362% (0.21   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ILE  103  14.39 +/- 0.52   0.008% *  0.2032% (0.32   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ILE  103  14.72 +/- 0.48   0.007% *  0.2032% (0.32   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   39  17.99 +/- 0.33   0.002% *  0.4122% (0.65   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   39  23.20 +/- 0.30   0.000% *  0.6149% (0.97   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ILE  103  15.64 +/- 0.57   0.005% *  0.0525% (0.08   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ILE  103  19.58 +/- 0.69   0.001% *  0.1758% (0.28   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   39  24.62 +/- 0.77   0.000% *  0.5322% (0.84   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ILE  103  23.27 +/- 1.84   0.001% *  0.2100% (0.33   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    ILE  103  24.21 +/- 0.27   0.000% *  0.0650% (0.10   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    THR   39  29.72 +/- 0.23   0.000% *  0.1967% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 385 (1.26, 4.27, 62.55 ppm):
    20 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 34.4:
    * O T QG2   THR   39 - HA    THR   39   2.33 +/- 0.22  96.748% * 94.3820% (0.87   3.00  34.36) =  99.985%  kept
          QB    ALA   34 - HA    THR   39   4.90 +/- 0.26   1.331% *  0.6059% (0.84   0.02   7.75) =   0.009%
          HG3   LYS+  99 - HA    THR   39   5.39 +/- 1.06   1.553% *  0.2474% (0.34   0.02   0.02) =   0.004%
          HG3   LYS+  38 - HA    THR   39   6.76 +/- 0.25   0.206% *  0.7238% (1.00   0.02  15.15) =   0.002%
          QB    ALA   34 - HA    ILE  103   8.85 +/- 0.44   0.037% *  0.2002% (0.28   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    THR   39   9.38 +/- 0.43   0.029% *  0.2017% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE  103   8.05 +/- 0.40   0.069% *  0.0817% (0.11   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    ILE  103  10.88 +/- 0.32   0.012% *  0.2079% (0.29   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    THR   39  13.04 +/- 0.94   0.005% *  0.3816% (0.53   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE  103  13.95 +/- 0.93   0.002% *  0.2391% (0.33   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ILE  103  14.75 +/- 0.23   0.002% *  0.2313% (0.32   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   39  18.25 +/- 0.30   0.001% *  0.7000% (0.97   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    ILE  103  16.45 +/- 0.99   0.001% *  0.2079% (0.29   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    THR   39  19.66 +/- 0.48   0.000% *  0.3531% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    THR   39  18.60 +/- 0.56   0.000% *  0.2239% (0.31   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE  103  15.46 +/- 0.63   0.001% *  0.0666% (0.09   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE  103  18.23 +/- 0.86   0.001% *  0.1261% (0.17   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   39  23.46 +/- 0.76   0.000% *  0.6292% (0.87   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE  103  17.50 +/- 0.48   0.001% *  0.0740% (0.10   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ILE  103  19.13 +/- 0.50   0.000% *  0.1167% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 34.4:
    * O T HA    THR   39 - HB    THR   39   3.03 +/- 0.11  99.967% * 96.3467% (1.00   3.00  34.36) = 100.000%  kept
        T HA    ILE  103 - HB    THR   39  12.38 +/- 0.43   0.023% *  0.4664% (0.73   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB    THR   39  15.46 +/- 0.37   0.006% *  0.3379% (0.53   0.02   0.02) =   0.000%
          HA    MET   11 - HB    THR   39  19.53 +/- 2.63   0.002% *  0.3126% (0.49   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    THR   39  21.10 +/- 0.39   0.001% *  0.4909% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    THR   39  23.82 +/- 0.45   0.000% *  0.6366% (0.99   0.02   0.02) =   0.000%
          HA    SER   85 - HB    THR   39  23.91 +/- 0.50   0.000% *  0.3896% (0.61   0.02   0.02) =   0.000%
          HB    THR   77 - HB    THR   39  24.11 +/- 0.51   0.000% *  0.3896% (0.61   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    THR   39  29.89 +/- 0.32   0.000% *  0.6296% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.863, support = 2.85, residual support = 31.1:
    * O T QG2   THR   39 - HB    THR   39   2.17 +/- 0.01  85.979% * 52.0838% (0.87   2.88  34.36) =  87.622%  kept
        T QB    ALA   34 - HB    THR   39   3.09 +/- 0.45  13.775% * 45.9239% (0.84   2.63   7.75) =  12.378%  kept
          HG3   LYS+  38 - HB    THR   39   7.83 +/- 0.52   0.044% *  0.4167% (1.00   0.02  15.15) =   0.000%
        T HG3   LYS+  99 - HB    THR   39   7.47 +/- 1.19   0.095% *  0.1424% (0.34   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    THR   39   6.85 +/- 0.51   0.098% *  0.1161% (0.28   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    THR   39  10.44 +/- 0.89   0.008% *  0.2197% (0.53   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    THR   39  17.64 +/- 0.33   0.000% *  0.4030% (0.97   0.02   0.02) =   0.000%
        T QG2   THR   23 - HB    THR   39  17.38 +/- 0.59   0.000% *  0.2033% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    THR   39  16.68 +/- 0.51   0.000% *  0.1289% (0.31   0.02   0.02) =   0.000%
        T QB    ALA   91 - HB    THR   39  22.64 +/- 0.71   0.000% *  0.3622% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 34.4:
    * O T HA    THR   39 - QG2   THR   39   2.33 +/- 0.22  98.889% * 92.2518% (0.87   3.00  34.36) =  99.997%  kept
          HA    GLU-  79 - QG2   THR   23   6.38 +/- 0.43   0.308% *  0.3421% (0.48   0.02   0.02) =   0.001%
          HB    THR   77 - QB    ALA   91   5.79 +/- 0.61   0.595% *  0.1761% (0.25   0.02   0.02) =   0.001%
          HA    SER   85 - QB    ALA   91   7.81 +/- 0.81   0.126% *  0.1761% (0.25   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    ALA   91   9.76 +/- 0.99   0.024% *  0.2847% (0.40   0.02   0.02) =   0.000%
        T HA    ILE  103 - QG2   THR   39  10.88 +/- 0.32   0.013% *  0.4466% (0.63   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   91  11.91 +/- 0.66   0.007% *  0.2879% (0.41   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   91  10.71 +/- 0.56   0.013% *  0.1528% (0.22   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   39  12.86 +/- 0.28   0.005% *  0.3236% (0.46   0.02   0.02) =   0.000%
        T HB    THR   77 - QG2   THR   23  12.12 +/- 0.41   0.006% *  0.2093% (0.30   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    ALA   91  13.22 +/- 0.71   0.004% *  0.2219% (0.31   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   23  13.07 +/- 0.51   0.004% *  0.2093% (0.30   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   39  15.70 +/- 2.05   0.001% *  0.2994% (0.42   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   39  16.96 +/- 0.43   0.001% *  0.4700% (0.66   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   23  14.52 +/- 0.37   0.002% *  0.1816% (0.26   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    ALA   91  16.45 +/- 0.99   0.001% *  0.2109% (0.30   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   39  20.67 +/- 0.50   0.000% *  0.6096% (0.86   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   23  18.11 +/- 0.40   0.001% *  0.2637% (0.37   0.02   0.02) =   0.000%
        T HA    THR   39 - QG2   THR   23  19.66 +/- 0.48   0.000% *  0.3451% (0.49   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   23  19.61 +/- 0.45   0.000% *  0.3383% (0.48   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   THR   39  20.63 +/- 0.38   0.000% *  0.3730% (0.53   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   39  20.90 +/- 0.48   0.000% *  0.3730% (0.53   0.02   0.02) =   0.000%
        T HA    ILE  103 - QG2   THR   23  19.13 +/- 0.50   0.000% *  0.2506% (0.35   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   23  22.24 +/- 3.66   0.000% *  0.1680% (0.24   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   39  24.72 +/- 0.36   0.000% *  0.6028% (0.85   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    ALA   91  23.46 +/- 0.76   0.000% *  0.2904% (0.41   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   91  33.02 +/- 3.52   0.000% *  0.1414% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 390 (3.86, 1.26, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 2.87, residual support = 34.4:
    * O T HB    THR   39 - QG2   THR   39   2.17 +/- 0.01  93.743% * 92.8125% (0.87   2.88  34.36) =  99.961%  kept
          HB3   SER   37 - QG2   THR   39   3.99 +/- 0.57   4.671% *  0.6229% (0.84   0.02   2.73) =   0.033%
          HA    ILE   89 - QB    ALA   91   4.73 +/- 0.77   1.405% *  0.2942% (0.40   0.02   7.83) =   0.005%
          HB3   SER   82 - QG2   THR   23   7.68 +/- 0.83   0.067% *  0.3025% (0.41   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR   39  10.56 +/- 1.19   0.010% *  0.6440% (0.87   0.02   0.02) =   0.000%
          HD3   PRO   52 - QB    ALA   91   7.82 +/- 0.94   0.062% *  0.0941% (0.13   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   39   8.53 +/- 0.68   0.028% *  0.1610% (0.22   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   23  10.89 +/- 0.47   0.006% *  0.0903% (0.12   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   91  13.51 +/- 0.59   0.002% *  0.2546% (0.34   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   39  14.88 +/- 0.42   0.001% *  0.4176% (0.56   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR   23  17.04 +/- 2.53   0.001% *  0.3614% (0.49   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   23  14.84 +/- 0.35   0.001% *  0.3496% (0.47   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   91  14.96 +/- 1.02   0.001% *  0.1972% (0.26   0.02   0.02) =   0.000%
        T HB    THR   39 - QG2   THR   23  17.38 +/- 0.59   0.000% *  0.3622% (0.49   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   39  19.05 +/- 0.39   0.000% *  0.6229% (0.84   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR   23  17.65 +/- 0.55   0.000% *  0.3496% (0.47   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   39  20.07 +/- 0.85   0.000% *  0.5391% (0.72   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   23  18.92 +/- 0.45   0.000% *  0.1118% (0.15   0.02   0.02) =   0.000%
        T HB    THR   39 - QB    ALA   91  22.64 +/- 0.71   0.000% *  0.3048% (0.41   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   23  23.15 +/- 0.36   0.000% *  0.2343% (0.31   0.02   0.02) =   0.000%
          HB3   SER   37 - QB    ALA   91  24.51 +/- 0.65   0.000% *  0.2942% (0.40   0.02   0.02) =   0.000%
          QB    SER   13 - QB    ALA   91  25.72 +/- 2.09   0.000% *  0.3041% (0.41   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   39  23.70 +/- 0.36   0.000% *  0.1992% (0.27   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    ALA   91  21.00 +/- 0.38   0.000% *  0.0760% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 391 (1.26, 1.26, 21.81 ppm):
    3 diagonal assignments:
    *     QG2   THR   39 - QG2   THR   39  (0.75)  kept
          QB    ALA   91 - QB    ALA   91  (0.36)  kept
          QG2   THR   23 - QG2   THR   23  (0.24)  kept
 
    Peak 392 (4.40, 4.40, 56.43 ppm):
    3 diagonal assignments:
    *     HA    LEU   40 - HA    LEU   40  (1.00)  kept
          HA    GLU-  15 - HA    GLU-  15  (0.76)  kept
          HA    ASN   35 - HA    ASN   35  (0.14)  kept
 
    Peak 393 (1.94, 4.40, 56.43 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 5.37, residual support = 107.1:
    * O T HB2   LEU   40 - HA    LEU   40   2.71 +/- 0.26  94.474% * 97.4326% (1.00   5.37 107.07) =  99.992%  kept
          HB3   GLU-  14 - HA    GLU-  15   4.92 +/- 0.77   5.202% *  0.1428% (0.39   0.02   1.71) =   0.008%
          HB    VAL   18 - HA    GLU-  15   8.90 +/- 0.46   0.084% *  0.1001% (0.28   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HA    ASN   35   9.66 +/- 0.29   0.051% *  0.1361% (0.37   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    LEU   40  11.34 +/- 0.40   0.020% *  0.2906% (0.80   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    LEU   40   8.97 +/- 0.41   0.086% *  0.0560% (0.15   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HA    GLU-  15  12.95 +/- 1.03   0.011% *  0.2934% (0.81   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    GLU-  15  10.40 +/- 0.81   0.035% *  0.0453% (0.12   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLU-  15  13.13 +/- 1.65   0.016% *  0.0906% (0.25   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU   40  14.24 +/- 1.14   0.006% *  0.1238% (0.34   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    ASN   35  14.59 +/- 0.54   0.004% *  0.1089% (0.30   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    LEU   40  17.04 +/- 1.24   0.002% *  0.1766% (0.49   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  15  18.67 +/- 1.10   0.001% *  0.2350% (0.65   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    ASN   35  17.70 +/- 1.41   0.002% *  0.0662% (0.18   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    ASN   35  15.43 +/- 0.52   0.003% *  0.0210% (0.06   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ASN   35  18.25 +/- 1.15   0.001% *  0.0464% (0.13   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    LEU   40  23.76 +/- 2.08   0.000% *  0.1120% (0.31   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU-  15  25.22 +/- 0.40   0.000% *  0.1780% (0.49   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU   40  26.58 +/- 0.28   0.000% *  0.2201% (0.61   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    ASN   35  24.02 +/- 2.95   0.000% *  0.0420% (0.12   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    ASN   35  31.62 +/- 0.42   0.000% *  0.0825% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 0.905, support = 5.37, residual support = 107.1:
    * O T HB3   LEU   40 - HA    LEU   40   2.68 +/- 0.35  67.387% * 70.8004% (1.00   5.37 107.07) =  84.745%  kept
      O T HG    LEU   40 - HA    LEU   40   3.11 +/- 0.19  32.385% * 26.5189% (0.38   5.36 107.07) =  15.254%  kept
          HG    LEU   67 - HA    LEU   40   9.03 +/- 1.02   0.064% *  0.1283% (0.49   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    ASN   35   9.72 +/- 0.42   0.029% *  0.0989% (0.37   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    GLU-  15  12.94 +/- 1.65   0.009% *  0.2132% (0.81   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    GLU-  15  10.36 +/- 0.86   0.025% *  0.0593% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU-  15  11.66 +/- 0.60   0.011% *  0.1122% (0.43   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ASN   35  10.06 +/- 0.32   0.025% *  0.0371% (0.14   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU-  15  12.40 +/- 0.87   0.009% *  0.1038% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU-  15  11.45 +/- 1.49   0.015% *  0.0475% (0.18   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LEU   40  15.05 +/- 0.29   0.002% *  0.2434% (0.92   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU   40  11.93 +/- 1.19   0.011% *  0.0462% (0.18   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    GLU-  15  13.54 +/- 1.15   0.005% *  0.0800% (0.30   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU   40  13.43 +/- 0.54   0.005% *  0.0733% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU   40  15.55 +/- 0.41   0.002% *  0.1387% (0.53   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ASN   35  12.19 +/- 0.23   0.008% *  0.0275% (0.10   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    LEU   40  18.28 +/- 1.29   0.001% *  0.2434% (0.92   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    LEU   40  16.89 +/- 0.66   0.001% *  0.0990% (0.38   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ASN   35  15.98 +/- 1.14   0.002% *  0.0481% (0.18   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU-  15  20.61 +/- 0.54   0.000% *  0.1968% (0.75   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU   40  16.95 +/- 0.52   0.001% *  0.0587% (0.22   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    GLU-  15  22.81 +/- 1.37   0.000% *  0.1968% (0.75   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ASN   35  18.24 +/- 0.47   0.001% *  0.0520% (0.20   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ASN   35  21.02 +/- 0.29   0.000% *  0.0913% (0.35   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    GLU-  15  21.96 +/- 0.86   0.000% *  0.0800% (0.30   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ASN   35  18.72 +/- 1.19   0.001% *  0.0173% (0.07   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU-  15  21.54 +/- 1.57   0.000% *  0.0373% (0.14   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ASN   35  24.79 +/- 1.32   0.000% *  0.0913% (0.35   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ASN   35  23.14 +/- 0.63   0.000% *  0.0371% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ASN   35  22.63 +/- 0.94   0.000% *  0.0220% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (4.40, 1.94, 42.31 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.37, residual support = 107.1:
    * O T HA    LEU   40 - HB2   LEU   40   2.71 +/- 0.26  97.797% * 97.7331% (1.00   5.37 107.07) =  99.998%  kept
          HA    LYS+  99 - HB2   LEU   40   5.39 +/- 0.45   1.734% *  0.0908% (0.25   0.02  14.08) =   0.002%
        T HA    ASN   35 - HB2   LEU   40   9.66 +/- 0.29   0.053% *  0.1366% (0.38   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   40  10.47 +/- 0.16   0.034% *  0.1366% (0.38   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   LEU   40  12.95 +/- 1.03   0.011% *  0.3443% (0.95   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   LEU   67   8.97 +/- 0.41   0.089% *  0.0336% (0.09   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   67   8.18 +/- 0.30   0.151% *  0.0126% (0.03   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   40  14.04 +/- 0.71   0.007% *  0.1915% (0.53   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   40  13.51 +/- 0.68   0.009% *  0.1366% (0.38   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   LEU   67  10.40 +/- 0.81   0.037% *  0.0317% (0.09   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   67  10.87 +/- 0.69   0.029% *  0.0177% (0.05   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   40  18.36 +/- 1.60   0.001% *  0.3443% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   40  19.00 +/- 0.67   0.001% *  0.3513% (0.97   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   67  12.69 +/- 0.60   0.011% *  0.0324% (0.09   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   LEU   67  11.78 +/- 0.55   0.018% *  0.0084% (0.02   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   40  19.30 +/- 0.55   0.001% *  0.1496% (0.41   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   40  19.90 +/- 0.40   0.001% *  0.1632% (0.45   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   67  16.47 +/- 1.34   0.002% *  0.0317% (0.09   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   67  14.48 +/- 0.62   0.005% *  0.0138% (0.04   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   67  15.27 +/- 0.70   0.004% *  0.0126% (0.03   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   67  15.43 +/- 0.52   0.003% *  0.0126% (0.03   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   67  16.74 +/- 0.38   0.002% *  0.0150% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 0.994, support = 3.97, residual support = 106.4:
    * O T HB3   LEU   40 - HB2   LEU   40   1.75 +/- 0.00  81.462% * 92.4352% (1.00   4.00 107.07) =  99.352%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.61 +/- 0.28   8.813% *  5.3797% (0.04   5.19  60.98) =   0.626%
      O   HG    LEU   40 - HB2   LEU   40   2.58 +/- 0.27   9.607% *  0.1735% (0.38   0.02 107.07) =   0.022%
          HG    LEU   67 - HB2   LEU   40   6.77 +/- 1.05   0.042% *  0.2250% (0.49   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HB2   LEU   67   6.90 +/- 0.90   0.030% *  0.0426% (0.09   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU   67   6.88 +/- 0.83   0.029% *  0.0160% (0.03   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   40  10.86 +/- 1.33   0.002% *  0.0809% (0.18   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   40  13.69 +/- 0.40   0.000% *  0.4266% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   67   8.34 +/- 0.74   0.008% *  0.0095% (0.02   0.02   0.02) =   0.000%
          HG    LEU  115 - HB2   LEU   40  17.33 +/- 1.29   0.000% *  0.4266% (0.92   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   40  15.65 +/- 0.67   0.000% *  0.2432% (0.53   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   40  14.39 +/- 0.47   0.000% *  0.1285% (0.28   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  12.08 +/- 0.45   0.001% *  0.0393% (0.09   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   40  16.16 +/- 0.78   0.000% *  0.1735% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   40  15.18 +/- 0.95   0.000% *  0.1029% (0.22   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  13.81 +/- 1.24   0.000% *  0.0393% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   67  12.38 +/- 0.35   0.001% *  0.0224% (0.05   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   67  11.57 +/- 1.27   0.001% *  0.0075% (0.02   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  13.13 +/- 0.95   0.001% *  0.0160% (0.03   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   67  14.38 +/- 0.52   0.000% *  0.0118% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 398 (4.40, 1.48, 42.31 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.37, residual support = 107.1:
    * O T HA    LEU   40 - HB3   LEU   40   2.68 +/- 0.35  97.127% * 97.6740% (1.00   5.37 107.07) =  99.998%  kept
          HA    LYS+  99 - HB3   LEU   40   5.33 +/- 0.80   1.867% *  0.0907% (0.25   0.02  14.08) =   0.002%
          HA    ILE   56 - HB3   LEU  115   6.19 +/- 0.26   0.822% *  0.0175% (0.05   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU   40   9.72 +/- 0.42   0.049% *  0.1365% (0.38   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU   40  12.94 +/- 1.65   0.017% *  0.3441% (0.95   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU   40  10.78 +/- 0.19   0.029% *  0.1365% (0.38   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU   40  13.38 +/- 1.18   0.012% *  0.1365% (0.38   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  115  10.52 +/- 0.51   0.034% *  0.0412% (0.11   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU   40  14.05 +/- 0.58   0.006% *  0.1914% (0.53   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU   40  18.49 +/- 1.75   0.002% *  0.3441% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU   40  18.76 +/- 0.72   0.001% *  0.3511% (0.97   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU  115  11.80 +/- 0.50   0.018% *  0.0191% (0.05   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU  115  13.48 +/- 0.48   0.008% *  0.0225% (0.06   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU   40  18.99 +/- 0.54   0.001% *  0.1496% (0.41   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU   40  19.51 +/- 0.60   0.001% *  0.1631% (0.45   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   LEU  115  16.89 +/- 0.66   0.002% *  0.0427% (0.12   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU  115  17.67 +/- 0.75   0.002% *  0.0160% (0.04   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU  115  21.96 +/- 0.86   0.000% *  0.0404% (0.11   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  115  18.25 +/- 0.68   0.001% *  0.0106% (0.03   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU  115  23.14 +/- 0.63   0.000% *  0.0160% (0.04   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  115  28.22 +/- 1.95   0.000% *  0.0404% (0.11   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU  115  25.98 +/- 0.72   0.000% *  0.0160% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 4.0, residual support = 107.1:
    * O T HB2   LEU   40 - HB3   LEU   40   1.75 +/- 0.00  99.956% * 98.4582% (1.00   4.00 107.07) = 100.000%  kept
        T HB2   LEU   67 - HB3   LEU   40   6.90 +/- 0.90   0.039% *  0.0760% (0.15   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU   40  12.08 +/- 0.44   0.001% *  0.3942% (0.80   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  13.30 +/- 1.50   0.001% *  0.1679% (0.34   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU  115  11.40 +/- 0.73   0.001% *  0.0462% (0.09   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU   40  16.58 +/- 1.54   0.000% *  0.2396% (0.49   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  13.46 +/- 0.26   0.000% *  0.0350% (0.07   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HB3   LEU  115  16.16 +/- 0.78   0.000% *  0.0578% (0.12   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  13.13 +/- 0.95   0.001% *  0.0089% (0.02   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  15.15 +/- 0.94   0.000% *  0.0197% (0.04   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU   40  23.15 +/- 2.02   0.000% *  0.1519% (0.31   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  25.61 +/- 0.65   0.000% *  0.2986% (0.61   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU  115  26.24 +/- 1.18   0.000% *  0.0281% (0.06   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU  115  33.15 +/- 2.77   0.000% *  0.0178% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 400 (1.48, 1.48, 42.31 ppm):
    2 diagonal assignments:
    *     HB3   LEU   40 - HB3   LEU   40  (1.00)  kept
          HB3   LEU  115 - HB3   LEU  115  (0.04)  kept
 
    Peak 401 (4.88, 4.88, 60.22 ppm):
    1 diagonal assignment:
    *     HA    VAL   41 - HA    VAL   41  (1.00)  kept
 
    Peak 402 (1.84, 4.88, 60.22 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.0, residual support = 70.4:
    * O T HB    VAL   41 - HA    VAL   41   2.86 +/- 0.31  99.559% * 95.5774% (0.69   4.00  70.40) =  99.999%  kept
          QB    LYS+  33 - HA    VAL   41   8.22 +/- 0.44   0.201% *  0.2147% (0.31   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    VAL   41   9.76 +/- 0.51   0.069% *  0.5811% (0.84   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    VAL   41  10.09 +/- 0.30   0.061% *  0.2860% (0.41   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    VAL   41  11.59 +/- 0.14   0.026% *  0.3386% (0.49   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    VAL   41  11.98 +/- 0.35   0.021% *  0.3386% (0.49   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    VAL   41  10.51 +/- 0.52   0.047% *  0.1218% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    VAL   41  13.45 +/- 0.39   0.010% *  0.3660% (0.53   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    VAL   41  19.20 +/- 0.64   0.001% *  0.6896% (0.99   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    VAL   41  18.07 +/- 0.30   0.002% *  0.1735% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    VAL   41  22.93 +/- 0.17   0.000% *  0.6896% (0.99   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    VAL   41  18.79 +/- 0.31   0.001% *  0.1377% (0.20   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    VAL   41  20.54 +/- 0.63   0.001% *  0.1735% (0.25   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    VAL   41  23.26 +/- 0.52   0.000% *  0.3119% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 403 (0.76, 4.88, 60.22 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.85, residual support = 70.4:
    * O T QG1   VAL   41 - HA    VAL   41   2.58 +/- 0.24  90.699% * 97.8962% (1.00   3.85  70.40) =  99.966%  kept
          QG1   VAL   43 - HA    VAL   41   4.77 +/- 0.96   3.577% *  0.4806% (0.95   0.02   2.98) =   0.019%
          QD2   LEU   73 - HA    VAL   41   4.42 +/- 0.32   5.328% *  0.2278% (0.45   0.02   0.02) =   0.014%
          HG    LEU   31 - HA    VAL   41   8.20 +/- 0.85   0.120% *  0.3081% (0.61   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HA    VAL   41   9.12 +/- 0.93   0.076% *  0.3883% (0.76   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   41   8.64 +/- 0.66   0.114% *  0.1568% (0.31   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   41   8.55 +/- 0.55   0.079% *  0.1005% (0.20   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   41  13.30 +/- 0.55   0.005% *  0.3286% (0.65   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   41  15.65 +/- 0.23   0.002% *  0.1131% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 404 (0.55, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 70.4:
    * O T QG2   VAL   41 - HA    VAL   41   2.37 +/- 0.20  98.806% * 98.7480% (1.00   3.94  70.40) =  99.994%  kept
          QD2   LEU   98 - HA    VAL   41   5.18 +/- 0.59   1.148% *  0.4740% (0.95   0.02  32.33) =   0.006%
          QD2   LEU   63 - HA    VAL   41   9.27 +/- 1.06   0.039% *  0.3040% (0.61   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    VAL   41  12.49 +/- 1.39   0.007% *  0.4740% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 405 (4.88, 1.84, 34.57 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.0, residual support = 70.4:
    * O T HA    VAL   41 - HB    VAL   41   2.86 +/- 0.31  99.979% * 99.3013% (0.69   4.00  70.40) = 100.000%  kept
          HA    PHE   45 - HB    VAL   41  12.83 +/- 0.20   0.014% *  0.3011% (0.42   0.02   0.02) =   0.000%
          HA    HIS  122 - HB    VAL   41  14.65 +/- 0.67   0.007% *  0.3976% (0.55   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 406 (1.84, 1.84, 34.57 ppm):
    1 diagonal assignment:
    *     HB    VAL   41 - HB    VAL   41  (0.47)  kept
 
    Peak 407 (0.76, 1.84, 34.57 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 3.6, residual support = 70.4:
    * O T QG1   VAL   41 - HB    VAL   41   2.12 +/- 0.01  98.142% * 97.7494% (0.69   3.60  70.40) =  99.992%  kept
          QG1   VAL   43 - HB    VAL   41   4.69 +/- 0.82   1.215% *  0.5141% (0.65   0.02   2.98) =   0.007%
          QD2   LEU   73 - HB    VAL   41   5.89 +/- 0.88   0.463% *  0.2437% (0.31   0.02   0.02) =   0.001%
          HG    LEU   31 - HB    VAL   41   7.25 +/- 0.64   0.081% *  0.3296% (0.42   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   41   7.54 +/- 0.98   0.074% *  0.1076% (0.14   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   41  10.08 +/- 1.35   0.017% *  0.1677% (0.21   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB    VAL   41  10.95 +/- 1.12   0.007% *  0.4153% (0.52   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   41  13.84 +/- 0.54   0.001% *  0.3516% (0.44   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   41  16.11 +/- 0.49   0.001% *  0.1210% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 0.682, support = 3.83, residual support = 65.8:
    * O T QG2   VAL   41 - HB    VAL   41   2.11 +/- 0.01  82.081% * 60.8279% (0.69   3.99  70.40) =  87.811%  kept
          QD2   LEU   98 - HB    VAL   41   3.15 +/- 0.87  17.910% * 38.6983% (0.65   2.68  32.33) =  12.189%  kept
          QD2   LEU   63 - HB    VAL   41  10.45 +/- 1.08   0.007% *  0.1851% (0.42   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB    VAL   41  12.24 +/- 1.36   0.003% *  0.2887% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 70.4:
    * O T HA    VAL   41 - QG2   VAL   41   2.37 +/- 0.20  99.968% * 99.2909% (1.00   3.94  70.40) = 100.000%  kept
          HA    PHE   45 - QG2   VAL   41   9.53 +/- 0.19   0.028% *  0.3056% (0.61   0.02   0.02) =   0.000%
          HA    HIS  122 - QG2   VAL   41  13.11 +/- 0.36   0.004% *  0.4035% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 410 (1.84, 0.55, 21.65 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 3.99, residual support = 70.4:
    * O T HB    VAL   41 - QG2   VAL   41   2.11 +/- 0.01  99.701% * 95.5634% (0.69   3.99  70.40) =  99.999%  kept
          HG12  ILE  103 - QG2   VAL   41   6.88 +/- 0.61   0.102% *  0.5829% (0.84   0.02   0.02) =   0.001%
          QB    LYS+  33 - QG2   VAL   41   6.51 +/- 0.29   0.119% *  0.2154% (0.31   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   VAL   41   8.76 +/- 0.30   0.020% *  0.3397% (0.49   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   VAL   41   9.04 +/- 0.34   0.016% *  0.2869% (0.41   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   VAL   41   8.18 +/- 0.59   0.033% *  0.1222% (0.18   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   41  11.74 +/- 0.29   0.003% *  0.3397% (0.49   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   VAL   41  13.52 +/- 0.24   0.001% *  0.3672% (0.53   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   41  17.75 +/- 0.47   0.000% *  0.6917% (0.99   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   VAL   41  13.84 +/- 0.25   0.001% *  0.1381% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   41  14.79 +/- 0.32   0.001% *  0.1740% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   41  18.75 +/- 0.24   0.000% *  0.6917% (0.99   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   VAL   41  15.42 +/- 0.66   0.001% *  0.1740% (0.25   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   VAL   41  19.45 +/- 0.52   0.000% *  0.3129% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 0.994, support = 3.41, residual support = 62.7:
    * O T QG1   VAL   41 - QG2   VAL   41   2.04 +/- 0.04  76.636% * 65.3879% (1.00   3.60  70.40) =  88.561%  kept
          QG1   VAL   43 - QG2   VAL   41   2.85 +/- 0.82  19.327% * 33.4523% (0.95   1.95   2.98) =  11.426%  kept
          QD2   LEU   73 - QG2   VAL   41   3.68 +/- 0.32   2.567% *  0.1627% (0.45   0.02   0.02) =   0.007%
          HG    LEU   31 - QG2   VAL   41   4.61 +/- 0.63   1.370% *  0.2202% (0.61   0.02   0.02) =   0.005%
        T QG2   VAL   18 - QG2   VAL   41   8.28 +/- 0.72   0.020% *  0.2774% (0.76   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   41   7.25 +/- 0.55   0.043% *  0.1120% (0.31   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QG2   VAL   41   7.62 +/- 0.48   0.030% *  0.0718% (0.20   0.02   0.02) =   0.000%
          QG2   THR   46 - QG2   VAL   41  10.48 +/- 0.40   0.004% *  0.2348% (0.65   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   41  13.27 +/- 0.28   0.001% *  0.0808% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 412 (0.55, 0.55, 21.65 ppm):
    1 diagonal assignment:
    *     QG2   VAL   41 - QG2   VAL   41  (1.00)  kept
 
    Peak 413 (4.44, 4.44, 60.39 ppm):
    2 diagonal assignments:
    *     HA    VAL   42 - HA    VAL   42  (1.00)  kept
          HA    PHE   55 - HA    PHE   55  (0.13)  kept
 
    Peak 414 (1.39, 4.44, 60.39 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 4.19, residual support = 88.3:
    * O T HB    VAL   42 - HA    VAL   42   2.97 +/- 0.12  96.767% * 95.0023% (0.87   4.19  88.32) =  99.987%  kept
          QB    LEU   98 - HA    VAL   42   5.60 +/- 0.22   2.294% *  0.3991% (0.76   0.02   0.51) =   0.010%
          HB3   LEU   73 - HA    VAL   42   7.71 +/- 0.76   0.400% *  0.4182% (0.80   0.02   1.86) =   0.002%
          HG3   LYS+ 106 - HA    VAL   42   8.61 +/- 0.88   0.237% *  0.2957% (0.57   0.02   0.02) =   0.001%
        T HB2   LYS+ 112 - HA    PHE   55   8.69 +/- 0.31   0.163% *  0.0844% (0.16   0.02   0.24) =   0.000%
          HD3   LYS+ 121 - HA    VAL   42  10.66 +/- 0.59   0.050% *  0.2341% (0.45   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    VAL   42  11.69 +/- 0.40   0.027% *  0.2542% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    VAL   42  13.03 +/- 0.34   0.014% *  0.4821% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    VAL   42  13.33 +/- 0.57   0.013% *  0.3991% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    VAL   42  14.22 +/- 0.82   0.009% *  0.4530% (0.87   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    VAL   42  14.46 +/- 0.82   0.008% *  0.1612% (0.31   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    VAL   42  19.39 +/- 1.58   0.002% *  0.5040% (0.97   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HA    VAL   42  18.59 +/- 0.25   0.002% *  0.3587% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    PHE   55  15.39 +/- 0.77   0.005% *  0.1066% (0.20   0.02   0.02) =   0.000%
        T HB    VAL   42 - HA    PHE   55  18.30 +/- 0.37   0.002% *  0.1066% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    PHE   55  17.48 +/- 0.59   0.002% *  0.0598% (0.11   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   55  20.43 +/- 0.54   0.001% *  0.0984% (0.19   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   55  20.57 +/- 0.57   0.001% *  0.0696% (0.13   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    PHE   55  21.87 +/- 0.44   0.001% *  0.0939% (0.18   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   55  20.34 +/- 0.65   0.001% *  0.0551% (0.11   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    PHE   55  26.85 +/- 2.43   0.000% *  0.1186% (0.23   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   55  23.35 +/- 1.00   0.000% *  0.0379% (0.07   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    PHE   55  29.60 +/- 0.45   0.000% *  0.1135% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   55  30.16 +/- 0.82   0.000% *  0.0939% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 88.3:
    * O T QG1   VAL   42 - HA    VAL   42   2.46 +/- 0.14  99.572% * 98.6947% (0.97   4.00  88.32) = 100.000%  kept
          HG2   LYS+ 112 - HA    PHE   55   6.68 +/- 0.35   0.274% *  0.0827% (0.16   0.02   0.24) =   0.000%
        T QB    ALA   64 - HA    VAL   42   7.66 +/- 0.18   0.116% *  0.1012% (0.20   0.02   0.02) =   0.000%
        T QB    ALA   47 - HA    PHE   55  10.10 +/- 0.50   0.023% *  0.1201% (0.23   0.02   0.02) =   0.000%
        T QB    ALA   47 - HA    VAL   42  14.50 +/- 0.06   0.002% *  0.5102% (1.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HA    PHE   55  13.49 +/- 0.28   0.004% *  0.1161% (0.23   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    VAL   42  16.55 +/- 0.34   0.001% *  0.3512% (0.69   0.02   0.02) =   0.000%
        T QB    ALA   64 - HA    PHE   55  12.32 +/- 0.23   0.007% *  0.0238% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 416 (0.15, 4.44, 60.39 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 88.3:
    * O T QG2   VAL   42 - HA    VAL   42   2.29 +/- 0.30  99.866% * 99.3871% (0.80   4.00  88.32) =  99.999%  kept
          QG2   VAL   75 - HA    VAL   42   7.50 +/- 0.20   0.131% *  0.4015% (0.65   0.02   0.02) =   0.001%
        T QG2   VAL   42 - HA    PHE   55  15.44 +/- 0.45   0.002% *  0.1170% (0.19   0.02   0.02) =   0.000%
          QG2   VAL   75 - HA    PHE   55  16.25 +/- 0.33   0.001% *  0.0945% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 417 (4.44, 1.39, 32.90 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.19, residual support = 88.3:
    * O T HA    VAL   42 - HB    VAL   42   2.97 +/- 0.12  99.101% * 97.3304% (0.87   4.19  88.32) =  99.999%  kept
          HA    ALA  110 - HB2   LYS+ 112   6.95 +/- 0.07   0.617% *  0.0911% (0.17   0.02   0.02) =   0.001%
        T HA    PHE   55 - HB2   LYS+ 112   8.69 +/- 0.31   0.168% *  0.1854% (0.35   0.02   0.24) =   0.000%
          HA    GLN   17 - HB    VAL   42  10.00 +/- 0.43   0.074% *  0.2815% (0.53   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   42  13.73 +/- 0.33   0.011% *  0.2442% (0.46   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   42  14.33 +/- 0.42   0.008% *  0.2815% (0.53   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LYS+ 112  14.72 +/- 0.26   0.007% *  0.1723% (0.32   0.02   0.02) =   0.000%
          HA    ALA  110 - HB    VAL   42  14.62 +/- 0.28   0.007% *  0.1290% (0.24   0.02   0.02) =   0.000%
        T HA    VAL   42 - HB2   LYS+ 112  18.59 +/- 0.25   0.002% *  0.3275% (0.61   0.02   0.02) =   0.000%
        T HA    PHE   55 - HB    VAL   42  18.30 +/- 0.37   0.002% *  0.2627% (0.49   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL   42  18.05 +/- 0.64   0.002% *  0.1742% (0.33   0.02   0.02) =   0.000%
          HA    GLN   90 - HB2   LYS+ 112  19.21 +/- 0.59   0.001% *  0.1229% (0.23   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LYS+ 112  23.04 +/- 0.40   0.000% *  0.1986% (0.37   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LYS+ 112  32.90 +/- 0.38   0.000% *  0.1986% (0.37   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 0.785, support = 4.51, residual support = 106.6:
    * O T QG1   VAL   42 - HB    VAL   42   2.13 +/- 0.02  84.663% * 54.8262% (0.84   4.19  88.32) =  87.439%  kept
      O T HG2   LYS+ 112 - HB2   LYS+ 112   2.84 +/- 0.04  15.069% * 44.2508% (0.42   6.74 233.59) =  12.561%  kept
          QB    ALA   64 - HB    VAL   42   5.62 +/- 0.32   0.264% *  0.0536% (0.17   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB2   LYS+ 112  12.76 +/- 0.54   0.002% *  0.1907% (0.61   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HB2   LYS+ 112  13.84 +/- 0.20   0.001% *  0.1845% (0.59   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  15.26 +/- 0.26   0.001% *  0.2703% (0.87   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  16.73 +/- 0.35   0.000% *  0.1861% (0.60   0.02   0.02) =   0.000%
          QB    ALA   64 - HB2   LYS+ 112  15.20 +/- 0.27   0.001% *  0.0378% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 4.16, residual support = 88.3:
    * O T QG2   VAL   42 - HB    VAL   42   2.12 +/- 0.01  99.974% * 99.0080% (0.69   4.16  88.32) = 100.000%  kept
          QG2   VAL   75 - HB    VAL   42   8.43 +/- 0.23   0.025% *  0.3846% (0.56   0.02   0.02) =   0.000%
        T QG2   VAL   42 - HB2   LYS+ 112  15.24 +/- 0.28   0.001% *  0.3360% (0.49   0.02   0.02) =   0.000%
          QG2   VAL   75 - HB2   LYS+ 112  18.06 +/- 0.26   0.000% *  0.2714% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 422 (1.39, 0.37, 21.48 ppm):
    24 chemical-shift based assignments, quality = 0.837, support = 4.19, residual support = 88.3:
    * O T HB    VAL   42 - QG1   VAL   42   2.13 +/- 0.02  99.701% * 92.4400% (0.84   4.19  88.32) =  99.999%  kept
          HB3   LEU   73 - QG1   VAL   42   6.96 +/- 0.52   0.092% *  0.4069% (0.77   0.02   1.86) =   0.000%
          QB    LEU   98 - QG1   VAL   42   6.90 +/- 0.24   0.088% *  0.3883% (0.74   0.02   0.51) =   0.000%
          HG3   LYS+ 106 - QG1   VAL   42   8.18 +/- 0.77   0.038% *  0.2877% (0.55   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG1   VAL   42   9.53 +/- 0.75   0.014% *  0.4408% (0.84   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG1   VAL   42   8.57 +/- 0.53   0.025% *  0.2278% (0.43   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG1   VAL   42   9.07 +/- 0.51   0.018% *  0.2473% (0.47   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG1   VAL   42  12.28 +/- 0.34   0.003% *  0.4691% (0.89   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    ALA   47  10.99 +/- 0.35   0.005% *  0.2136% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG1   VAL   42  13.22 +/- 0.63   0.002% *  0.3883% (0.74   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QB    ALA   47  12.76 +/- 0.54   0.002% *  0.3014% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    ALA   47  13.49 +/- 0.30   0.002% *  0.3514% (0.67   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   47  11.70 +/- 0.72   0.004% *  0.1354% (0.26   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG1   VAL   42  13.84 +/- 0.20   0.001% *  0.3490% (0.66   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   42  15.80 +/- 1.40   0.001% *  0.4904% (0.93   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG1   VAL   42  12.95 +/- 0.82   0.002% *  0.1568% (0.30   0.02   0.02) =   0.000%
        T HB    VAL   42 - QB    ALA   47  15.26 +/- 0.26   0.001% *  0.3806% (0.72   0.02   0.02) =   0.000%
          QB    LEU   98 - QB    ALA   47  15.91 +/- 0.28   0.001% *  0.3354% (0.64   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QB    ALA   47  15.58 +/- 0.80   0.001% *  0.2484% (0.47   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QB    ALA   47  17.32 +/- 0.96   0.000% *  0.3806% (0.72   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    ALA   47  22.82 +/- 2.13   0.000% *  0.4235% (0.80   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   47  19.40 +/- 0.60   0.000% *  0.1967% (0.37   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QB    ALA   47  22.30 +/- 0.70   0.000% *  0.4051% (0.77   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QB    ALA   47  23.02 +/- 0.41   0.000% *  0.3354% (0.64   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 423 (0.37, 0.37, 21.48 ppm):
    2 diagonal assignments:
    *     QG1   VAL   42 - QG1   VAL   42  (0.93)  kept
          QB    ALA   47 - QB    ALA   47  (0.83)  kept
 
    Peak 424 (0.15, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.773, support = 4.0, residual support = 88.3:
    * O T QG2   VAL   42 - QG1   VAL   42   2.02 +/- 0.07  99.907% * 98.8293% (0.77   4.00  88.32) = 100.000%  kept
          QG2   VAL   75 - QG1   VAL   42   6.70 +/- 0.19   0.079% *  0.3992% (0.62   0.02   0.02) =   0.000%
          QG2   VAL   75 - QB    ALA   47   9.11 +/- 0.24   0.012% *  0.3448% (0.54   0.02   0.02) =   0.000%
        T QG2   VAL   42 - QB    ALA   47  13.14 +/- 0.42   0.001% *  0.4267% (0.67   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 88.3:
    * O T HA    VAL   42 - QG2   VAL   42   2.29 +/- 0.30  99.911% * 98.5422% (0.80   4.00  88.32) = 100.000%  kept
          HA    GLN   17 - QG2   VAL   42   9.70 +/- 0.76   0.060% *  0.2988% (0.49   0.02   0.02) =   0.000%
          HA    THR   46 - QG2   VAL   42  12.09 +/- 0.58   0.011% *  0.2592% (0.42   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   VAL   42  12.10 +/- 0.29   0.006% *  0.2988% (0.49   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   VAL   42  11.94 +/- 0.34   0.008% *  0.1370% (0.22   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG2   VAL   42  15.44 +/- 0.45   0.002% *  0.2790% (0.45   0.02   0.02) =   0.000%
          HA    GLN   90 - QG2   VAL   42  15.41 +/- 0.57   0.002% *  0.1849% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 426 (1.39, 0.15, 20.83 ppm):
    12 chemical-shift based assignments, quality = 0.695, support = 4.16, residual support = 88.3:
    * O T HB    VAL   42 - QG2   VAL   42   2.12 +/- 0.01  99.505% * 95.9667% (0.69   4.16  88.32) =  99.998%  kept
          QB    LEU   98 - QG2   VAL   42   5.75 +/- 0.48   0.271% *  0.4066% (0.61   0.02   0.51) =   0.001%
          HB3   LEU   73 - QG2   VAL   42   7.90 +/- 1.05   0.091% *  0.4260% (0.64   0.02   1.86) =   0.000%
          HG3   LYS+ 106 - QG2   VAL   42   7.94 +/- 0.94   0.047% *  0.3012% (0.45   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   VAL   42   7.65 +/- 1.10   0.059% *  0.2385% (0.36   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG2   VAL   42  10.53 +/- 0.75   0.008% *  0.4615% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG2   VAL   42  11.18 +/- 0.55   0.005% *  0.4911% (0.74   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG2   VAL   42  10.84 +/- 1.04   0.008% *  0.2589% (0.39   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG2   VAL   42  11.60 +/- 0.94   0.004% *  0.4066% (0.61   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   42  15.63 +/- 1.33   0.001% *  0.5134% (0.77   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG2   VAL   42  15.24 +/- 0.28   0.001% *  0.3654% (0.55   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   VAL   42  14.15 +/- 0.62   0.001% *  0.1642% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (0.37, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.773, support = 4.0, residual support = 88.3:
    * O T QG1   VAL   42 - QG2   VAL   42   2.02 +/- 0.07  99.599% * 99.0341% (0.77   4.00  88.32) = 100.000%  kept
          QB    ALA   64 - QG2   VAL   42   5.64 +/- 0.62   0.399% *  0.1015% (0.16   0.02   0.02) =   0.000%
        T QB    ALA   47 - QG2   VAL   42  13.14 +/- 0.42   0.001% *  0.5120% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QG2   VAL   42  13.54 +/- 0.37   0.001% *  0.3524% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 61.1:
    * O T HB    VAL   43 - HA    VAL   43   2.98 +/- 0.10  99.961% * 98.4444% (0.97   3.30  61.11) = 100.000%  kept
          HB2   LYS+  99 - HA    VAL   43  12.88 +/- 0.68   0.017% *  0.6172% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    VAL   43  12.79 +/- 0.52   0.017% *  0.3254% (0.53   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    VAL   43  15.40 +/- 0.35   0.005% *  0.6131% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 0.897, support = 4.48, residual support = 61.1:
    * O T QG1   VAL   43 - HA    VAL   43   2.54 +/- 0.25  92.696% * 97.9818% (0.90   4.48  61.11) =  99.978%  kept
          QD2   LEU   73 - HA    VAL   43   4.43 +/- 0.52   6.181% *  0.2565% (0.53   0.02   9.57) =   0.017%
          QG2   VAL   18 - HA    VAL   43   6.39 +/- 0.96   0.689% *  0.3349% (0.69   0.02   0.02) =   0.003%
          QG1   VAL   41 - HA    VAL   43   7.41 +/- 0.25   0.175% *  0.4833% (0.99   0.02   2.98) =   0.001%
          QG2   THR   46 - HA    VAL   43   7.92 +/- 0.55   0.131% *  0.2761% (0.57   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   43   9.51 +/- 0.82   0.049% *  0.3349% (0.69   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   43   8.89 +/- 0.35   0.058% *  0.1216% (0.25   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   43  11.67 +/- 0.24   0.011% *  0.1356% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    VAL   43  11.90 +/- 0.47   0.010% *  0.0752% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (0.06, 4.67, 60.29 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 61.1:
    * O T QG2   VAL   43 - HA    VAL   43   2.30 +/- 0.12  99.750% * 99.0348% (0.69   3.00  61.11) =  99.998%  kept
        T QD2   LEU   31 - HA    VAL   43   6.59 +/- 0.44   0.199% *  0.6979% (0.73   0.02   0.02) =   0.001%
          QG2   VAL   83 - HA    VAL   43   8.28 +/- 0.48   0.051% *  0.2672% (0.28   0.02   0.02) =   0.000%
    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 = 61.1:
    * O T HA    VAL   43 - HB    VAL   43   2.98 +/- 0.10  99.913% * 98.8491% (0.97   3.30  61.11) = 100.000%  kept
          HA    HIS   22 - HB    VAL   43  11.70 +/- 0.59   0.029% *  0.4799% (0.77   0.02   0.02) =   0.000%
          HA    LEU   71 - HB    VAL   43  10.50 +/- 0.46   0.053% *  0.1334% (0.21   0.02   0.02) =   0.000%
          HA    ASN   69 - HB    VAL   43  15.86 +/- 0.49   0.004% *  0.5375% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 434 (1.77, 1.77, 34.62 ppm):
    1 diagonal assignment:
    *     HB    VAL   43 - HB    VAL   43  (0.93)  kept
 
    Peak 435 (0.76, 1.77, 34.62 ppm):
    9 chemical-shift based assignments, quality = 0.865, support = 3.84, residual support = 61.1:
    * O T QG1   VAL   43 - HB    VAL   43   2.12 +/- 0.02  99.485% * 97.6536% (0.87   3.84  61.11) =  99.998%  kept
          QD2   LEU   73 - HB    VAL   43   5.91 +/- 0.63   0.342% *  0.2983% (0.51   0.02   9.57) =   0.001%
        T QG1   VAL   41 - HB    VAL   43   7.00 +/- 0.41   0.083% *  0.5619% (0.96   0.02   2.98) =   0.000%
          HG    LEU   31 - HB    VAL   43   8.48 +/- 0.63   0.028% *  0.3894% (0.66   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB    VAL   43   8.83 +/- 0.90   0.024% *  0.3894% (0.66   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   43   8.69 +/- 0.61   0.024% *  0.3210% (0.55   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   43  10.40 +/- 0.47   0.007% *  0.1414% (0.24   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   43  11.03 +/- 0.47   0.005% *  0.0875% (0.15   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   43  12.12 +/- 0.35   0.003% *  0.1576% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 436 (0.06, 1.77, 34.62 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 2.89, residual support = 61.1:
    * O T QG2   VAL   43 - HB    VAL   43   2.13 +/- 0.01  99.606% * 98.9995% (0.66   2.89  61.11) =  99.998%  kept
        T QD2   LEU   31 - HB    VAL   43   5.87 +/- 0.51   0.271% *  0.7235% (0.70   0.02   0.02) =   0.002%
          QG2   VAL   83 - HB    VAL   43   6.66 +/- 0.46   0.123% *  0.2770% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 4.48, residual support = 61.1:
    * O T HA    VAL   43 - QG1   VAL   43   2.54 +/- 0.25  99.803% * 99.1503% (0.90   4.48  61.11) = 100.000%  kept
          HA    HIS   22 - QG1   VAL   43   9.42 +/- 0.51   0.046% *  0.3543% (0.72   0.02   0.02) =   0.000%
          HA    LEU   71 - QG1   VAL   43   7.65 +/- 0.96   0.143% *  0.0985% (0.20   0.02   0.02) =   0.000%
          HA    ASN   69 - QG1   VAL   43  12.28 +/- 0.87   0.008% *  0.3969% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 438 (1.77, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.866, support = 3.84, residual support = 61.1:
    * O T HB    VAL   43 - QG1   VAL   43   2.12 +/- 0.02  99.981% * 98.6613% (0.87   3.84  61.11) = 100.000%  kept
          HB2   LYS+  99 - QG1   VAL   43   9.67 +/- 0.92   0.013% *  0.5311% (0.89   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   43  12.56 +/- 0.52   0.002% *  0.5275% (0.89   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   43  12.21 +/- 0.95   0.003% *  0.2800% (0.47   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 3.96, residual support = 61.1:
    * O T QG2   VAL   43 - QG1   VAL   43   2.08 +/- 0.02  96.242% * 99.2681% (0.62   3.97  61.11) =  99.980%  kept
        T QD2   LEU   31 - QG1   VAL   43   3.91 +/- 0.73   3.440% *  0.5293% (0.65   0.02   0.02) =   0.019%
          QG2   VAL   83 - QG1   VAL   43   5.51 +/- 0.46   0.318% *  0.2027% (0.25   0.02   0.02) =   0.001%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 442 (1.77, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 2.89, residual support = 61.1:
    * O T HB    VAL   43 - QG2   VAL   43   2.13 +/- 0.01  99.701% * 97.5449% (0.66   2.89  61.11) =  99.999%  kept
        T HB    VAL   43 - QD2   LEU   31   5.87 +/- 0.51   0.271% *  0.1935% (0.19   0.02   0.02) =   0.001%
          QD    LYS+  81 - QG2   VAL   43  10.98 +/- 0.39   0.006% *  0.6926% (0.68   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG2   VAL   43  11.80 +/- 0.51   0.004% *  0.6972% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD2   LEU   31   9.78 +/- 0.78   0.012% *  0.2000% (0.20   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG2   VAL   43  12.04 +/- 0.69   0.003% *  0.3676% (0.36   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   31  13.80 +/- 0.47   0.001% *  0.1987% (0.20   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU   31  13.33 +/- 0.75   0.002% *  0.1055% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 0.509, support = 4.39, residual support = 99.0:
    * O T QG1   VAL   43 - QG2   VAL   43   2.08 +/- 0.02  48.831% * 73.7527% (0.62   3.97  61.11) =  77.792%  kept
      O T HG    LEU   31 - QD2   LEU   31   2.12 +/- 0.01  42.765% * 24.0130% (0.14   5.88 231.90) =  22.182%  kept
          QD2   LEU   73 - QG2   VAL   43   4.23 +/- 0.63   2.215% *  0.2182% (0.36   0.02   9.57) =   0.010%
          QG1   VAL   41 - QD2   LEU   31   3.47 +/- 0.64   3.313% *  0.1180% (0.20   0.02   0.02) =   0.008%
        T QG1   VAL   43 - QD2   LEU   31   3.91 +/- 0.73   1.713% *  0.1067% (0.18   0.02   0.02) =   0.004%
          QD2   LEU   73 - QD2   LEU   31   4.24 +/- 0.40   0.810% *  0.0626% (0.10   0.02   1.38) =   0.001%
          QG2   THR   46 - QG2   VAL   43   6.01 +/- 0.41   0.094% *  0.2348% (0.39   0.02   0.02) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   6.63 +/- 0.37   0.050% *  0.4111% (0.68   0.02   2.98) =   0.000%
          QG2   VAL   18 - QG2   VAL   43   6.57 +/- 0.78   0.068% *  0.2849% (0.47   0.02   0.02) =   0.000%
        T HG    LEU   31 - QG2   VAL   43   6.76 +/- 0.68   0.051% *  0.2849% (0.47   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   43   7.61 +/- 0.42   0.022% *  0.1034% (0.17   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   31   6.63 +/- 0.10   0.047% *  0.0297% (0.05   0.02   0.02) =   0.000%
          QG2   VAL   18 - QD2   LEU   31   9.37 +/- 0.53   0.006% *  0.0817% (0.14   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.41 +/- 0.32   0.003% *  0.1153% (0.19   0.02   0.02) =   0.000%
          QG2   THR   46 - QD2   LEU   31  10.60 +/- 0.42   0.003% *  0.0674% (0.11   0.02   0.02) =   0.000%
          QD2   LEU  104 - QG2   VAL   43  10.74 +/- 0.40   0.003% *  0.0640% (0.11   0.02   0.02) =   0.000%
          QD2   LEU  104 - QD2   LEU   31   9.63 +/- 0.79   0.006% *  0.0184% (0.03   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  14.94 +/- 0.35   0.000% *  0.0331% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 444 (0.06, 0.06, 21.48 ppm):
    2 diagonal assignments:
    *     QG2   VAL   43 - QG2   VAL   43  (0.47)  kept
          QD2   LEU   31 - QD2   LEU   31  (0.14)  kept
 
    Peak 445 (4.29, 4.29, 51.33 ppm):
    1 diagonal assignment:
    *     HA    ASP-  44 - HA    ASP-  44  (1.00)  kept
 
    Peak 446 (2.27, 4.29, 51.33 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.68, residual support = 35.4:
    * O T HB2   ASP-  44 - HA    ASP-  44   2.95 +/- 0.21  99.523% * 95.9620% (1.00   2.68  35.37) =  99.997%  kept
          HB3   PHE   72 - HA    ASP-  44   7.84 +/- 0.91   0.376% *  0.7026% (0.98   0.02   0.02) =   0.003%
          QG    GLN   90 - HA    ASP-  44  10.92 +/- 0.38   0.042% *  0.6781% (0.95   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  44  11.86 +/- 0.57   0.027% *  0.4637% (0.65   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASP-  44  15.85 +/- 1.29   0.005% *  0.7026% (0.98   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP-  44  12.09 +/- 0.46   0.023% *  0.1419% (0.20   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASP-  44  17.99 +/- 1.12   0.002% *  0.7152% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  44  18.24 +/- 0.49   0.002% *  0.1993% (0.28   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASP-  44  24.98 +/- 2.64   0.000% *  0.4348% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (1.34, 4.29, 51.33 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 3.41, residual support = 35.4:
    * O T HB3   ASP-  44 - HA    ASP-  44   2.39 +/- 0.10  99.344% * 95.5096% (1.00   3.41  35.37) =  99.997%  kept
          HB3   PRO   93 - HA    ASP-  44   5.86 +/- 0.31   0.479% *  0.4277% (0.76   0.02   0.02) =   0.002%
          HB2   LEU   63 - HA    ASP-  44   7.85 +/- 0.43   0.088% *  0.5486% (0.98   0.02   0.02) =   0.001%
        T QB    ALA   84 - HA    ASP-  44   8.88 +/- 0.20   0.039% *  0.4481% (0.80   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ASP-  44  10.96 +/- 1.30   0.014% *  0.5019% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ASP-  44  11.97 +/- 1.06   0.007% *  0.5166% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASP-  44  10.52 +/- 1.02   0.019% *  0.1246% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASP-  44  12.82 +/- 0.30   0.004% *  0.4064% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ASP-  44  15.03 +/- 0.53   0.002% *  0.4481% (0.80   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ASP-  44  18.47 +/- 0.45   0.000% *  0.5401% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ASP-  44  16.25 +/- 0.28   0.001% *  0.2509% (0.45   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASP-  44  14.77 +/- 0.19   0.002% *  0.0864% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ASP-  44  20.85 +/- 0.32   0.000% *  0.1909% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 448 (4.29, 2.27, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.68, residual support = 35.4:
    * O T HA    ASP-  44 - HB2   ASP-  44   2.95 +/- 0.21  99.431% * 95.0613% (1.00   2.68  35.37) =  99.999%  kept
          HA    ALA   57 - HB2   ASP-  44   7.24 +/- 0.35   0.514% *  0.1244% (0.18   0.02   0.02) =   0.001%
          HB    THR   77 - HB2   ASP-  44  12.29 +/- 0.22   0.020% *  0.7038% (0.99   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  44  13.99 +/- 0.33   0.009% *  0.6717% (0.95   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ASP-  44  16.18 +/- 0.44   0.004% *  0.7038% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ASP-  44  15.11 +/- 0.49   0.006% *  0.4307% (0.61   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ASP-  44  15.01 +/- 0.29   0.006% *  0.2919% (0.41   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ASP-  44  16.18 +/- 0.31   0.004% *  0.3736% (0.53   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ASP-  44  17.61 +/- 0.31   0.002% *  0.3183% (0.45   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ASP-  44  17.76 +/- 1.10   0.003% *  0.2665% (0.38   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ASP-  44  26.00 +/- 3.34   0.000% *  0.7085% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  44  23.23 +/- 1.86   0.000% *  0.3456% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 2.39, residual support = 35.4:
    * O T HB3   ASP-  44 - HB2   ASP-  44   1.75 +/- 0.00  99.917% * 93.6962% (1.00   2.39  35.37) =  99.999%  kept
          HB2   LEU   63 - HB2   ASP-  44   6.54 +/- 0.65   0.047% *  0.7701% (0.98   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  44   6.94 +/- 0.52   0.029% *  0.6004% (0.76   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  44  10.32 +/- 0.28   0.002% *  0.6291% (0.80   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  44  12.58 +/- 1.22   0.001% *  0.7046% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   ASP-  44  12.64 +/- 1.01   0.001% *  0.7253% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   ASP-  44  14.85 +/- 0.72   0.000% *  0.5705% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB2   ASP-  44  12.84 +/- 1.07   0.001% *  0.1749% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   ASP-  44  15.62 +/- 0.66   0.000% *  0.6291% (0.80   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   ASP-  44  17.94 +/- 0.60   0.000% *  0.7582% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   ASP-  44  16.77 +/- 0.38   0.000% *  0.3522% (0.45   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  44  15.54 +/- 0.65   0.000% *  0.1212% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   ASP-  44  21.06 +/- 0.42   0.000% *  0.2680% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 3.41, residual support = 35.4:
    * O T HA    ASP-  44 - HB3   ASP-  44   2.39 +/- 0.10  99.814% * 96.0840% (1.00   3.41  35.37) = 100.000%  kept
          HA    ALA   57 - HB3   ASP-  44   7.11 +/- 0.45   0.170% *  0.0986% (0.18   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   ASP-  44  12.53 +/- 0.45   0.005% *  0.5580% (0.99   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  44  13.36 +/- 0.48   0.003% *  0.5326% (0.95   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   ASP-  44  16.19 +/- 0.54   0.001% *  0.5580% (0.99   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   ASP-  44  14.89 +/- 0.52   0.002% *  0.2315% (0.41   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   ASP-  44  16.00 +/- 0.42   0.001% *  0.3415% (0.61   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   ASP-  44  16.27 +/- 0.56   0.001% *  0.2962% (0.53   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   ASP-  44  17.57 +/- 0.30   0.001% *  0.2524% (0.45   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  44  18.84 +/- 1.01   0.000% *  0.2113% (0.38   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  44  26.91 +/- 3.44   0.000% *  0.5618% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  44  24.22 +/- 1.91   0.000% *  0.2741% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 2.39, residual support = 35.4:
    * O T HB2   ASP-  44 - HB3   ASP-  44   1.75 +/- 0.00  99.945% * 95.4892% (1.00   2.39  35.37) = 100.000%  kept
          HB3   PHE   72 - HB3   ASP-  44   6.60 +/- 0.81   0.051% *  0.7849% (0.98   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP-  44  10.68 +/- 0.71   0.002% *  0.5180% (0.65   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   ASP-  44  12.67 +/- 0.45   0.001% *  0.7574% (0.95   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   ASP-  44  14.85 +/- 1.26   0.000% *  0.7849% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   ASP-  44  17.05 +/- 1.14   0.000% *  0.7989% (1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP-  44  12.97 +/- 0.52   0.001% *  0.1585% (0.20   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP-  44  18.87 +/- 0.52   0.000% *  0.2226% (0.28   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   ASP-  44  23.90 +/- 2.55   0.000% *  0.4857% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 77.3:
    * O T HB2   PHE   45 - HA    PHE   45   3.07 +/- 0.01  99.697% * 99.2086% (1.00   3.31  77.25) =  99.999%  kept
          HB2   CYS   21 - HA    PHE   45   8.13 +/- 0.32   0.296% *  0.2248% (0.38   0.02   0.02) =   0.001%
          QE    LYS+ 111 - HA    PHE   45  15.03 +/- 0.24   0.007% *  0.5666% (0.95   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 456 (2.42, 4.86, 58.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.3:
    * O T HB3   PHE   45 - HA    PHE   45   2.65 +/- 0.02  99.959% * 98.3890% (1.00   4.00  77.25) = 100.000%  kept
          HB    VAL  107 - HA    PHE   45  10.63 +/- 0.27   0.024% *  0.3760% (0.76   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    PHE   45  13.46 +/- 0.30   0.006% *  0.4919% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    PHE   45  13.34 +/- 0.48   0.006% *  0.2395% (0.49   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    PHE   45  18.79 +/- 0.75   0.001% *  0.3182% (0.65   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    PHE   45  15.32 +/- 0.41   0.003% *  0.0759% (0.15   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    PHE   45  17.91 +/- 1.05   0.001% *  0.1095% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.82 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 = 77.3:
    * O T HA    PHE   45 - HB2   PHE   45   3.07 +/- 0.01  99.983% * 99.4859% (1.00   3.31  77.25) = 100.000%  kept
          HA    VAL   41 - HB2   PHE   45  13.33 +/- 0.13   0.015% *  0.3643% (0.61   0.02   0.02) =   0.000%
          HA    HIS  122 - HB2   PHE   45  18.87 +/- 0.38   0.002% *  0.1498% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 77.3:
    * O T HB3   PHE   45 - HB2   PHE   45   1.75 +/- 0.00  99.991% * 98.0611% (1.00   3.31  77.25) = 100.000%  kept
          HB    VAL  107 - HB2   PHE   45   8.61 +/- 0.23   0.007% *  0.4525% (0.76   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   PHE   45  12.57 +/- 0.32   0.001% *  0.5921% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   PHE   45  12.66 +/- 0.46   0.001% *  0.2882% (0.49   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   PHE   45  15.58 +/- 0.44   0.000% *  0.0914% (0.15   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   PHE   45  20.62 +/- 0.73   0.000% *  0.3830% (0.65   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   45  18.95 +/- 1.13   0.000% *  0.1318% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 77.3:
    * O T HA    PHE   45 - HB3   PHE   45   2.65 +/- 0.02  99.995% * 99.5739% (1.00   4.00  77.25) = 100.000%  kept
          HA    VAL   41 - HB3   PHE   45  14.27 +/- 0.13   0.004% *  0.3020% (0.61   0.02   0.02) =   0.000%
          HA    HIS  122 - HB3   PHE   45  20.44 +/- 0.38   0.000% *  0.1241% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 77.3:
    * O T HB2   PHE   45 - HB3   PHE   45   1.75 +/- 0.00  99.997% * 99.2086% (1.00   3.31  77.25) = 100.000%  kept
          HB2   CYS   21 - HB3   PHE   45  10.15 +/- 0.31   0.003% *  0.2248% (0.38   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   PHE   45  13.71 +/- 0.32   0.000% *  0.5666% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 462 (2.42, 2.42, 39.30 ppm):
    1 diagonal assignment:
    *     HB3   PHE   45 - HB3   PHE   45  (1.00)  kept
 
    Peak 463 (4.42, 4.42, 58.68 ppm):
    3 diagonal assignments:
    *     HA    THR   46 - HA    THR   46  (1.00)  kept
          HA    SER   37 - HA    SER   37  (0.98)  kept
          HA    SER   13 - HA    SER   13  (0.39)  kept
 
    Peak 464 (3.44, 4.42, 58.68 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HB    THR   46 - HA    THR   46   2.48 +/- 0.06  99.994% * 96.3986% (1.00   3.00  34.52) = 100.000%  kept
          HA    LYS+ 112 - HA    THR   46  13.27 +/- 0.33   0.004% *  0.4158% (0.65   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    THR   46  19.04 +/- 0.44   0.000% *  0.5764% (0.90   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   37  19.68 +/- 0.78   0.000% *  0.5711% (0.89   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   13  21.86 +/- 1.36   0.000% *  0.3488% (0.54   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   13  24.11 +/- 2.17   0.000% *  0.3890% (0.61   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   37  25.75 +/- 0.75   0.000% *  0.6368% (0.99   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   37  29.93 +/- 0.38   0.000% *  0.4119% (0.64   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   13  31.38 +/- 1.66   0.000% *  0.2516% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 465 (0.75, 4.42, 58.68 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T QG2   THR   46 - HA    THR   46   3.11 +/- 0.26  97.261% * 92.3982% (1.00   3.00  34.52) =  99.989%  kept
          QD1   ILE   19 - HA    SER   13   8.86 +/- 2.15   1.812% *  0.3114% (0.51   0.02   0.02) =   0.006%
          QG1   VAL   41 - HA    SER   37   7.80 +/- 0.24   0.439% *  0.3948% (0.64   0.02   0.02) =   0.002%
          QG1   VAL   43 - HA    THR   46   9.60 +/- 0.86   0.173% *  0.5145% (0.84   0.02   0.02) =   0.001%
          QG2   VAL   18 - HA    THR   46   9.71 +/- 0.49   0.119% *  0.6038% (0.98   0.02   0.02) =   0.001%
          QD1   ILE   19 - HA    SER   37  11.44 +/- 0.48   0.045% *  0.5098% (0.83   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   37  12.23 +/- 0.57   0.031% *  0.4193% (0.68   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   13  12.46 +/- 1.61   0.033% *  0.3654% (0.59   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   37  13.10 +/- 1.07   0.021% *  0.5098% (0.83   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    THR   46  14.57 +/- 0.25   0.010% *  0.5145% (0.84   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   37  15.74 +/- 0.64   0.007% *  0.5983% (0.97   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    THR   46  15.36 +/- 0.24   0.007% *  0.3985% (0.65   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   37  13.08 +/- 0.32   0.019% *  0.0942% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    SER   13  15.72 +/- 1.49   0.007% *  0.2412% (0.39   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   13  16.84 +/- 2.26   0.005% *  0.3114% (0.51   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    THR   46  18.37 +/- 0.40   0.003% *  0.4231% (0.69   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   13  19.87 +/- 2.27   0.002% *  0.3728% (0.61   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   37  21.34 +/- 0.62   0.001% *  0.6103% (0.99   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    THR   46  17.23 +/- 0.58   0.004% *  0.0950% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   13  21.54 +/- 1.43   0.001% *  0.2561% (0.42   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   13  20.06 +/- 2.65   0.002% *  0.0575% (0.09   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 466 (4.42, 3.44, 70.99 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HA    THR   46 - HB    THR   46   2.48 +/- 0.06  99.981% * 96.8634% (1.00   3.00  34.52) = 100.000%  kept
          HA    PRO   58 - HB    THR   46  11.60 +/- 0.37   0.010% *  0.3917% (0.61   0.02   0.02) =   0.000%
          HA    VAL   42 - HB    THR   46  13.00 +/- 0.65   0.005% *  0.3398% (0.53   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    THR   46  14.56 +/- 0.68   0.003% *  0.6401% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    THR   46  18.59 +/- 0.84   0.001% *  0.4178% (0.65   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    THR   46  19.42 +/- 0.68   0.000% *  0.2895% (0.45   0.02   0.02) =   0.000%
        T HA    SER   13 - HB    THR   46  24.11 +/- 2.17   0.000% *  0.4178% (0.65   0.02   0.02) =   0.000%
        T HA    SER   37 - HB    THR   46  25.75 +/- 0.75   0.000% *  0.6401% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 467 (3.44, 3.44, 70.99 ppm):
    1 diagonal assignment:
    *     HB    THR   46 - HB    THR   46  (1.00)  kept
 
    Peak 468 (0.75, 3.44, 70.99 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T QG2   THR   46 - HB    THR   46   2.17 +/- 0.01  99.941% * 97.3149% (1.00   3.00  34.52) = 100.000%  kept
          QG2   VAL   18 - HB    THR   46   8.25 +/- 0.59   0.036% *  0.6359% (0.98   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB    THR   46   9.43 +/- 0.97   0.019% *  0.5419% (0.84   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    THR   46  13.15 +/- 0.51   0.002% *  0.5419% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    THR   46  15.10 +/- 0.62   0.001% *  0.4197% (0.65   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    THR   46  18.75 +/- 0.63   0.000% *  0.4456% (0.69   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    THR   46  16.82 +/- 0.76   0.000% *  0.1001% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.42, 0.75, 18.88 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HA    THR   46 - QG2   THR   46   3.11 +/- 0.26  99.865% * 96.8635% (1.00   3.00  34.52) =  99.999%  kept
          HA    PRO   58 - QG2   THR   46  11.04 +/- 0.78   0.051% *  0.3917% (0.61   0.02   0.02) =   0.000%
          HA    GLN   17 - QG2   THR   46  12.43 +/- 0.69   0.025% *  0.6400% (0.99   0.02   0.02) =   0.000%
          HA    VAL   42 - QG2   THR   46  11.28 +/- 0.63   0.044% *  0.3397% (0.53   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG2   THR   46  15.44 +/- 0.53   0.007% *  0.4177% (0.65   0.02   0.02) =   0.000%
          HA    LEU   40 - QG2   THR   46  16.52 +/- 0.60   0.005% *  0.2895% (0.45   0.02   0.02) =   0.000%
        T HA    SER   13 - QG2   THR   46  19.87 +/- 2.27   0.002% *  0.4177% (0.65   0.02   0.02) =   0.000%
        T HA    SER   37 - QG2   THR   46  21.34 +/- 0.62   0.001% *  0.6400% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 470 (3.44, 0.75, 18.88 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HB    THR   46 - QG2   THR   46   2.17 +/- 0.01  99.998% * 98.9813% (1.00   3.00  34.52) = 100.000%  kept
          HA    LYS+ 112 - QG2   THR   46  13.65 +/- 0.75   0.002% *  0.4269% (0.65   0.02   0.02) =   0.000%
          HB2   HIS  122 - QG2   THR   46  16.82 +/- 1.05   0.001% *  0.5918% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 9.07:
    * O T QB    ALA   47 - HA    ALA   47   2.15 +/- 0.00  99.996% * 98.2324% (0.95   2.00   9.07) = 100.000%  kept
        T QG1   VAL   42 - HA    ALA   47  13.06 +/- 0.26   0.002% *  0.9008% (0.87   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    ALA   47  15.20 +/- 0.60   0.001% *  0.5463% (0.53   0.02   0.02) =   0.000%
          QB    ALA   64 - HA    ALA   47  14.20 +/- 0.38   0.001% *  0.3205% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 0.79, support = 2.69, residual support = 9.9:
    * O T HA    ALA   47 - QB    ALA   47   2.15 +/- 0.00  68.964% * 49.7891% (0.95   2.00   9.07) =  70.206%  kept
          HA    CYS   50 - QB    ALA   47   2.48 +/- 0.15  30.320% * 48.0551% (0.42   4.31  11.86) =  29.791%  kept
          HA    TRP   49 - QB    ALA   47   4.73 +/- 0.08   0.611% *  0.1384% (0.26   0.02  16.92) =   0.002%
          HA1   GLY  109 - QB    ALA   47   6.68 +/- 0.44   0.081% *  0.2047% (0.39   0.02   0.02) =   0.000%
          HA    VAL  108 - QB    ALA   47   9.97 +/- 0.43   0.007% *  0.4880% (0.93   0.02   0.02) =   0.000%
          HA    VAL  108 - QG1   VAL   42  10.07 +/- 0.39   0.007% *  0.3738% (0.71   0.02   0.02) =   0.000%
          HA1   GLY  109 - QG1   VAL   42  10.99 +/- 0.26   0.004% *  0.1568% (0.30   0.02   0.02) =   0.000%
        T HA    ALA   47 - QG1   VAL   42  13.06 +/- 0.26   0.001% *  0.3813% (0.72   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL   42  13.05 +/- 0.24   0.001% *  0.1710% (0.32   0.02   0.02) =   0.000%
          HA    CYS   21 - QG1   VAL   42  11.60 +/- 0.35   0.003% *  0.0588% (0.11   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    ALA   47  14.34 +/- 0.39   0.001% *  0.0768% (0.15   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL   42  17.10 +/- 0.27   0.000% *  0.1060% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 1.83, residual support = 9.67:
    * O T QB    SER   48 - HA    SER   48   2.24 +/- 0.07  99.175% * 89.1358% (1.00   1.83   9.67) =  99.997%  kept
        T QB    SER   85 - HB2   SER   82   5.10 +/- 0.23   0.749% *  0.2598% (0.27   0.02   1.58) =   0.002%
          HA2   GLY   51 - HA    SER   48   9.04 +/- 0.09   0.023% *  0.8738% (0.90   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER   48  12.12 +/- 0.45   0.004% *  0.9551% (0.98   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    VAL   70   9.30 +/- 0.72   0.023% *  0.1346% (0.14   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER   48  12.91 +/- 0.70   0.003% *  0.5910% (0.61   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    VAL   70  10.04 +/- 0.19   0.012% *  0.1168% (0.12   0.02   0.02) =   0.000%
        T QB    SER   48 - HB2   SER   82  13.89 +/- 0.76   0.002% *  0.4284% (0.44   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   SER   82  15.21 +/- 0.39   0.001% *  0.4199% (0.43   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    VAL   70  14.66 +/- 0.41   0.001% *  0.2100% (0.22   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    VAL   70  12.45 +/- 0.27   0.003% *  0.0342% (0.04   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    VAL   70  16.77 +/- 0.40   0.001% *  0.2049% (0.21   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    SER   48  16.62 +/- 0.44   0.001% *  0.1503% (0.15   0.02   0.02) =   0.000%
          HB    THR   94 - HA    VAL   70  18.11 +/- 0.37   0.000% *  0.2176% (0.22   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    VAL   70  17.75 +/- 0.34   0.000% *  0.1436% (0.15   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   48  22.83 +/- 0.33   0.000% *  0.6303% (0.65   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   48  22.72 +/- 0.58   0.000% *  0.5126% (0.53   0.02   0.02) =   0.000%
        T HA2   GLY   16 - HA    SER   48  25.11 +/- 0.66   0.000% *  0.5910% (0.61   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   SER   82  24.08 +/- 0.57   0.000% *  0.3842% (0.39   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   48  28.27 +/- 0.29   0.000% *  0.8994% (0.92   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   48  28.66 +/- 0.32   0.000% *  0.9217% (0.95   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    VAL   70  23.77 +/- 0.25   0.000% *  0.2220% (0.23   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    VAL   70  22.44 +/- 0.29   0.000% *  0.1346% (0.14   0.02   0.02) =   0.000%
        T QB    SER  117 - HB2   SER   82  26.67 +/- 0.59   0.000% *  0.2771% (0.28   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    VAL   70  26.47 +/- 0.22   0.000% *  0.1991% (0.20   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   SER   82  28.53 +/- 0.93   0.000% *  0.2598% (0.27   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   SER   82  28.48 +/- 0.74   0.000% *  0.2254% (0.23   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   SER   82  31.41 +/- 0.67   0.000% *  0.4052% (0.42   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   SER   82  23.45 +/- 0.61   0.000% *  0.0661% (0.07   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   SER   82  33.41 +/- 0.62   0.000% *  0.3955% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 478 (3.99, 3.94, 63.31 ppm):
    1 diagonal assignment:
          QB    SER   85 - QB    SER   85  (0.03)  kept
    Reference assignment not found: HA    SER   48 - QB    SER   48
 
    Peak 479 (3.94, 3.94, 63.31 ppm):
    3 diagonal assignments:
    *     QB    SER   48 - QB    SER   48  (1.00)  kept
          QB    SER  117 - QB    SER  117  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.15)  kept
 
    Peak 480 (4.58, 4.58, 54.06 ppm):
    2 diagonal assignments:
    *     HA    TRP   49 - HA    TRP   49  (1.00)  kept
          HA    CYS   50 - HA    CYS   50  (0.89)  kept
 
    Peak 481 (3.69, 4.58, 54.06 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.89, residual support = 84.7:
    * O T HB2   TRP   49 - HA    TRP   49   2.48 +/- 0.06  99.151% * 95.8381% (1.00   3.89  84.72) =  99.996%  kept
        T HB2   TRP   49 - HA    CYS   50   5.52 +/- 0.01   0.815% *  0.4643% (0.94   0.02   1.83) =   0.004%
        T HA2   GLY  109 - HA    CYS   50  10.86 +/- 0.49   0.014% *  0.3718% (0.75   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    CYS   50  13.94 +/- 0.52   0.003% *  0.4392% (0.89   0.02   0.02) =   0.000%
        T HA2   GLY  109 - HA    TRP   49  14.78 +/- 0.39   0.002% *  0.3944% (0.80   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    CYS   50  11.63 +/- 0.28   0.009% *  0.0628% (0.13   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    TRP   49  16.27 +/- 0.40   0.001% *  0.4660% (0.95   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    CYS   50  18.91 +/- 0.20   0.001% *  0.4602% (0.93   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    TRP   49  14.12 +/- 0.30   0.003% *  0.0667% (0.14   0.02   0.02) =   0.000%
          HA    THR  118 - HA    CYS   50  20.49 +/- 0.22   0.000% *  0.4602% (0.93   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    TRP   49  24.12 +/- 0.22   0.000% *  0.4882% (0.99   0.02   0.02) =   0.000%
          HA    THR  118 - HA    TRP   49  25.68 +/- 0.18   0.000% *  0.4882% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 482 (3.15, 4.58, 54.06 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 3.89, residual support = 84.7:
    * O T HB3   TRP   49 - HA    TRP   49   2.37 +/- 0.05  99.661% * 98.5789% (0.84   3.89  84.72) =  99.998%  kept
        T HB3   TRP   49 - HA    CYS   50   6.16 +/- 0.11   0.332% *  0.4776% (0.79   0.02   1.83) =   0.002%
          HB3   PHE   59 - HA    CYS   50  12.10 +/- 0.68   0.006% *  0.4578% (0.75   0.02   0.02) =   0.000%
          HB3   PHE   59 - HA    TRP   49  17.14 +/- 0.69   0.001% *  0.4857% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 483 (4.58, 3.69, 29.61 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.89, residual support = 84.7:
    * O T HA    TRP   49 - HB2   TRP   49   2.48 +/- 0.06  99.035% * 97.9955% (1.00   3.89  84.72) =  99.996%  kept
        T HA    CYS   50 - HB2   TRP   49   5.52 +/- 0.01   0.814% *  0.4764% (0.95   0.02   1.83) =   0.004%
          HA    ALA   47 - HB2   TRP   49   7.37 +/- 0.10   0.146% *  0.1400% (0.28   0.02  16.92) =   0.000%
        T HA1   GLY  109 - HB2   TRP   49  13.10 +/- 0.34   0.005% *  0.4861% (0.97   0.02   0.02) =   0.000%
          HA    CYS   21 - HB2   TRP   49  20.65 +/- 0.36   0.000% *  0.4764% (0.95   0.02   0.02) =   0.000%
          HA    VAL  108 - HB2   TRP   49  17.31 +/- 0.39   0.001% *  0.0997% (0.20   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   TRP   49  30.90 +/- 0.25   0.000% *  0.3258% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 484 (3.69, 3.69, 29.61 ppm):
    1 diagonal assignment:
    *     HB2   TRP   49 - HB2   TRP   49  (1.00)  kept
 
    Peak 485 (3.15, 3.69, 29.61 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.0, residual support = 84.7:
    * O T HB3   TRP   49 - HB2   TRP   49   1.75 +/- 0.00 100.000% * 99.3650% (0.84   3.00  84.72) = 100.000%  kept
          HB3   PHE   59 - HB2   TRP   49  16.77 +/- 0.61   0.000% *  0.6350% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 486 (4.58, 3.15, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 3.89, residual support = 84.7:
    * O T HA    TRP   49 - HB3   TRP   49   2.37 +/- 0.05  99.484% * 97.9955% (0.84   3.89  84.72) =  99.998%  kept
        T HA    CYS   50 - HB3   TRP   49   6.16 +/- 0.11   0.332% *  0.4764% (0.79   0.02   1.83) =   0.002%
          HA    ALA   47 - HB3   TRP   49   6.81 +/- 0.08   0.180% *  0.1400% (0.23   0.02  16.92) =   0.000%
          HA1   GLY  109 - HB3   TRP   49  13.27 +/- 0.40   0.003% *  0.4861% (0.81   0.02   0.02) =   0.000%
          HA    CYS   21 - HB3   TRP   49  20.23 +/- 0.37   0.000% *  0.4764% (0.79   0.02   0.02) =   0.000%
          HA    VAL  108 - HB3   TRP   49  17.37 +/- 0.45   0.001% *  0.0997% (0.17   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   TRP   49  30.67 +/- 0.30   0.000% *  0.3258% (0.54   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 487 (3.69, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.0, residual support = 84.7:
    * O T HB2   TRP   49 - HB3   TRP   49   1.75 +/- 0.00  99.999% * 97.4885% (0.84   3.00  84.72) = 100.000%  kept
          HA2   GLY  109 - HB3   TRP   49  14.06 +/- 0.46   0.000% *  0.5204% (0.67   0.02   0.02) =   0.000%
          HA    ALA   84 - HB3   TRP   49  16.36 +/- 0.44   0.000% *  0.6148% (0.79   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   TRP   49  15.31 +/- 0.29   0.000% *  0.0880% (0.11   0.02   0.02) =   0.000%
          HA    ILE  119 - HB3   TRP   49  24.73 +/- 0.21   0.000% *  0.6442% (0.83   0.02   0.02) =   0.000%
          HA    THR  118 - HB3   TRP   49  25.96 +/- 0.24   0.000% *  0.6442% (0.83   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 488 (3.15, 3.15, 29.61 ppm):
    1 diagonal assignment:
    *     HB3   TRP   49 - HB3   TRP   49  (0.70)  kept
 
    Peak 489 (4.58, 4.58, 54.04 ppm):
    2 diagonal assignments:
    *     HA    CYS   50 - HA    CYS   50  (1.00)  kept
          HA    TRP   49 - HA    TRP   49  (0.89)  kept
 
    Peak 490 (2.80, 4.58, 54.04 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 1.66, residual support = 6.72:
    * O T QB    CYS   50 - HA    CYS   50   2.20 +/- 0.06  98.581% * 93.5263% (1.00   1.66   6.72) =  99.984%  kept
        T QB    CYS   50 - HA    TRP   49   4.61 +/- 0.23   1.317% *  1.0591% (0.94   0.02   1.83) =   0.015%
          QE    LYS+  74 - HA    CYS   50   9.40 +/- 0.76   0.019% *  1.1211% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    TRP   49   7.89 +/- 0.53   0.052% *  0.3613% (0.32   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    CYS   50   8.89 +/- 0.59   0.025% *  0.3833% (0.34   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    TRP   49  11.69 +/- 0.87   0.005% *  1.0567% (0.94   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    CYS   50  15.73 +/- 0.80   0.001% *  0.3833% (0.34   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    TRP   49  19.98 +/- 0.77   0.000% *  0.3613% (0.32   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    CYS   50  26.55 +/- 0.31   0.000% *  0.8997% (0.80   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    TRP   49  31.12 +/- 0.27   0.000% *  0.8480% (0.75   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (4.58, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 1.66, residual support = 6.72:
    * O T HA    CYS   50 - QB    CYS   50   2.20 +/- 0.06  98.020% * 95.4342% (1.00   1.66   6.72) =  99.981%  kept
        T HA    TRP   49 - QB    CYS   50   4.61 +/- 0.23   1.310% *  1.0846% (0.95   0.02   1.83) =   0.015%
          HA    ALA   47 - QB    CYS   50   5.09 +/- 0.26   0.657% *  0.5140% (0.45   0.02  11.86) =   0.004%
          HA1   GLY  109 - QB    CYS   50  10.35 +/- 0.59   0.009% *  1.1440% (1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    CYS   50  13.81 +/- 0.38   0.002% *  0.9181% (0.80   0.02   0.02) =   0.000%
          HA    VAL  108 - QB    CYS   50  13.59 +/- 0.69   0.002% *  0.3911% (0.34   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    CYS   50  23.87 +/- 0.54   0.000% *  0.5140% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (2.80, 2.80, 44.93 ppm):
    1 diagonal assignment:
    *     QB    CYS   50 - QB    CYS   50  (1.00)  kept
 
    Peak 493 (4.51, 3.98, 51.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 7.19, residual support = 204.2:
    * O T HA    PRO   52 - HD2   PRO   52   3.98 +/- 0.00  97.836% * 99.5353% (1.00   7.20 204.25) =  99.998%  kept
          HA    ALA   91 - HD2   PRO   52   7.88 +/- 0.71   1.980% *  0.0854% (0.31   0.02   0.02) =   0.002%
          HA    LYS+ 111 - HD2   PRO   52  11.71 +/- 0.23   0.151% *  0.1790% (0.65   0.02   0.02) =   0.000%
          HA    VAL  107 - HD2   PRO   52  15.43 +/- 0.26   0.029% *  0.0548% (0.20   0.02   0.02) =   0.000%
          HA    TRP   27 - HD2   PRO   52  21.11 +/- 0.34   0.004% *  0.1456% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 494 (2.63, 3.98, 51.93 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.47, residual support = 204.2:
    * O T HB2   PRO   52 - HD2   PRO   52   3.85 +/- 0.00  99.974% * 99.7098% (1.00   6.47 204.25) = 100.000%  kept
          HB2   ASP-  62 - HD2   PRO   52  16.37 +/- 0.41   0.017% *  0.1745% (0.57   0.02   0.02) =   0.000%
        T HG2   MET   96 - HD2   PRO   52  18.31 +/- 0.33   0.009% *  0.1157% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 495 (1.84, 3.98, 51.93 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 204.2:
    * O T HB3   PRO   52 - HD2   PRO   52   4.04 +/- 0.00  86.642% * 98.2521% (1.00   6.60 204.25) =  99.984%  kept
          HG2   ARG+  54 - HD2   PRO   52   6.38 +/- 0.47   6.076% *  0.1118% (0.38   0.02   0.02) =   0.008%
          HG2   PRO   93 - HD2   PRO   52   6.14 +/- 0.16   7.103% *  0.0919% (0.31   0.02   4.02) =   0.008%
          HB3   GLN   90 - HD2   PRO   52  12.31 +/- 0.45   0.112% *  0.0590% (0.20   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HD2   PRO   52  14.76 +/- 0.53   0.038% *  0.0460% (0.15   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   PRO   52  18.76 +/- 0.28   0.009% *  0.1687% (0.57   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   52  22.32 +/- 0.34   0.003% *  0.2672% (0.90   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   52  22.29 +/- 0.31   0.003% *  0.2277% (0.76   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   PRO   52  23.67 +/- 0.43   0.002% *  0.2979% (1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   52  20.00 +/- 0.72   0.006% *  0.1016% (0.34   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   PRO   52  23.51 +/- 0.33   0.002% *  0.1225% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   PRO   52  26.69 +/- 0.25   0.001% *  0.1336% (0.45   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   PRO   52  25.06 +/- 0.37   0.002% *  0.0743% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   52  25.21 +/- 0.40   0.001% *  0.0460% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 6.6, residual support = 204.2:
    * O T HG2   PRO   52 - HD2   PRO   52   2.87 +/- 0.00  97.784% * 98.8252% (1.00   6.60 204.25) =  99.996%  kept
          HG2   MET   92 - HD2   PRO   52   5.62 +/- 0.64   2.193% *  0.1938% (0.65   0.02   0.02) =   0.004%
          HB2   GLU-  79 - HD2   PRO   52  14.18 +/- 0.45   0.007% *  0.2399% (0.80   0.02   0.02) =   0.000%
          QG    GLU- 114 - HD2   PRO   52  14.16 +/- 0.45   0.007% *  0.2176% (0.73   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD2   PRO   52  13.44 +/- 0.12   0.009% *  0.0462% (0.15   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   52  27.46 +/- 0.44   0.000% *  0.2834% (0.95   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD2   PRO   52  33.62 +/- 0.57   0.000% *  0.1938% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 497 (2.08, 3.98, 51.93 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 204.2:
    * O T HG3   PRO   52 - HD2   PRO   52   2.30 +/- 0.00  99.565% * 98.7995% (1.00   6.60 204.25) = 100.000%  kept
          HB2   PRO   93 - HD2   PRO   52   5.72 +/- 0.17   0.430% *  0.0925% (0.31   0.02   4.02) =   0.000%
        T HG2   PRO   58 - HD2   PRO   52  12.01 +/- 0.10   0.005% *  0.2996% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   52  28.56 +/- 1.21   0.000% *  0.2969% (0.99   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   52  21.66 +/- 0.99   0.000% *  0.0462% (0.15   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   52  26.29 +/- 0.27   0.000% *  0.1124% (0.38   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   52  35.72 +/- 4.05   0.000% *  0.2936% (0.98   0.02   0.02) =   0.000%
        T QB    GLN   32 - HD2   PRO   52  26.17 +/- 0.37   0.000% *  0.0593% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 4.97, residual support = 204.2:
    * O T HB2   PRO   52 - HA    PRO   52   2.73 +/- 0.00  99.995% * 99.6229% (1.00   4.97 204.25) = 100.000%  kept
          HB2   ASP-  62 - HA    PRO   52  14.94 +/- 0.44   0.004% *  0.2268% (0.57   0.02   0.02) =   0.000%
        T HG2   MET   96 - HA    PRO   52  19.68 +/- 0.38   0.001% *  0.1503% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 5.98, residual support = 204.2:
    * O T HB3   PRO   52 - HA    PRO   52   2.30 +/- 0.00  99.124% * 98.0751% (1.00   5.98 204.25) =  99.999%  kept
          HG2   ARG+  54 - HA    PRO   52   5.78 +/- 0.52   0.481% *  0.1231% (0.38   0.02   0.02) =   0.001%
          HG2   PRO   93 - HA    PRO   52   5.82 +/- 0.22   0.392% *  0.1013% (0.31   0.02   4.02) =   0.000%
          HB3   GLN   90 - HA    PRO   52  15.18 +/- 0.77   0.001% *  0.0649% (0.20   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    PRO   52  17.91 +/- 0.27   0.000% *  0.1857% (0.57   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   52  21.56 +/- 0.47   0.000% *  0.3281% (1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   52  19.81 +/- 0.68   0.000% *  0.1119% (0.34   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   52  23.43 +/- 0.38   0.000% *  0.2942% (0.90   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    PRO   52  18.03 +/- 0.60   0.000% *  0.0506% (0.15   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   52  23.64 +/- 0.38   0.000% *  0.2507% (0.76   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    PRO   52  24.31 +/- 0.42   0.000% *  0.1349% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    PRO   52  26.47 +/- 0.25   0.000% *  0.1471% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   52  26.85 +/- 0.39   0.000% *  0.0818% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   52  25.88 +/- 0.42   0.000% *  0.0506% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 5.97, residual support = 204.2:
    * O T HG2   PRO   52 - HA    PRO   52   3.88 +/- 0.00  91.868% * 98.7039% (1.00   5.97 204.25) =  99.981%  kept
          HG2   MET   92 - HA    PRO   52   6.16 +/- 0.88   7.906% *  0.2138% (0.65   0.02   0.02) =   0.019%
          QG    GLU- 114 - HA    PRO   52  12.72 +/- 0.38   0.075% *  0.2400% (0.73   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PRO   52  11.44 +/- 0.15   0.140% *  0.0510% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    PRO   52  17.87 +/- 0.45   0.010% *  0.2647% (0.80   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   52  30.80 +/- 0.45   0.000% *  0.3127% (0.95   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    PRO   52  35.37 +/- 0.70   0.000% *  0.2138% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 503 (2.08, 4.51, 65.44 ppm):
    8 chemical-shift based assignments, quality = 0.984, support = 0.0197, residual support = 200.9:
    * O T HG3   PRO   52 - HA    PRO   52   3.97 +/- 0.00  95.937% * 19.9700% (1.00   0.02 204.25) =  98.367%  kept
          HB2   PRO   93 - HA    PRO   52   6.92 +/- 0.28   3.570% *  6.1637% (0.31   0.02   4.02) =   1.130%
        T HG2   PRO   58 - HA    PRO   52   9.59 +/- 0.19   0.489% * 19.9700% (1.00   0.02   0.02) =   0.501%
          HB2   GLU-  14 - HA    PRO   52  30.07 +/- 1.18   0.001% * 19.7933% (0.99   0.02   0.02) =   0.001%
          HB2   PRO   68 - HA    PRO   52  26.36 +/- 0.26   0.001% *  7.4950% (0.38   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   52  24.97 +/- 1.02   0.002% *  3.0813% (0.15   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   52  36.95 +/- 3.77   0.000% * 19.5746% (0.98   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   52  28.28 +/- 0.32   0.001% *  3.9520% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 20 structures by 0.46 A, eliminated.
    Peak unassigned.
 
    Peak 504 (3.98, 4.51, 65.44 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 0.02, residual support = 204.0:
    * O T HD2   PRO   52 - HA    PRO   52   3.98 +/- 0.00  99.793% * 15.7342% (1.00   0.02 204.25) =  99.857%  kept
          HA    SER   48 - HA    PRO   52  11.53 +/- 0.18   0.169% * 11.4254% (0.73   0.02   0.02) =   0.123%
          HA    ALA   88 - HA    PRO   52  18.71 +/- 0.36   0.009% * 14.5245% (0.92   0.02   0.02) =   0.009%
          QB    SER   85 - HA    PRO   52  19.02 +/- 0.72   0.009% *  7.6587% (0.49   0.02   0.02) =   0.004%
          HA    LYS+  65 - HA    PRO   52  20.61 +/- 0.27   0.005% *  8.9080% (0.57   0.02   0.02) =   0.003%
          HA    VAL   18 - HA    PRO   52  19.77 +/- 0.36   0.007% *  4.3747% (0.28   0.02   0.02) =   0.002%
          HA    ALA  120 - HA    PRO   52  21.15 +/- 0.27   0.004% *  3.1138% (0.20   0.02   0.02) =   0.001%
          HA2   GLY   16 - HA    PRO   52  25.46 +/- 0.48   0.001% *  7.6587% (0.49   0.02   0.02) =   0.001%
          HB2   SER   82 - HA    PRO   52  24.51 +/- 0.52   0.002% *  5.3671% (0.34   0.02   0.02) =   0.001%
          HA    GLN   32 - HA    PRO   52  31.28 +/- 0.41   0.000% * 14.8839% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    PRO   52  30.36 +/- 0.34   0.001% *  3.9234% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    PRO   52  31.90 +/- 0.32   0.000% *  2.4277% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 20 structures by 0.37 A, eliminated.
    Peak unassigned.
 
    Peak 505 (4.51, 2.63, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 204.2:
    * O T HA    PRO   52 - HB2   PRO   52   2.73 +/- 0.00  99.587% * 99.0180% (1.00   4.97 204.25) =  99.999%  kept
          HA    LYS+ 111 - HB2   PRO   52   7.93 +/- 0.23   0.170% *  0.2575% (0.65   0.02   0.02) =   0.000%
          HA    ALA   91 - HB2   PRO   52   8.51 +/- 0.68   0.141% *  0.1229% (0.31   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   MET   96   9.46 +/- 0.58   0.065% *  0.0231% (0.06   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   MET   96  11.53 +/- 0.81   0.020% *  0.0615% (0.15   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   PRO   52  12.56 +/- 0.25   0.011% *  0.0788% (0.20   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   MET   96  16.32 +/- 0.42   0.002% *  0.0756% (0.19   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   MET   96  15.20 +/- 0.56   0.003% *  0.0361% (0.09   0.02   0.02) =   0.000%
        T HA    PRO   52 - HG2   MET   96  19.68 +/- 0.38   0.001% *  0.1169% (0.29   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   PRO   52  22.00 +/- 0.36   0.000% *  0.2094% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 506 (2.63, 2.63, 32.81 ppm):
    2 diagonal assignments:
    *     HB2   PRO   52 - HB2   PRO   52  (1.00)  kept
          HG2   MET   96 - HG2   MET   96  (0.11)  kept
 
    Peak 507 (1.84, 2.63, 32.81 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.91, residual support = 204.2:
    * O T HB3   PRO   52 - HB2   PRO   52   1.75 +/- 0.00  97.573% * 97.4028% (1.00   5.91 204.25) =  99.998%  kept
          HG2   PRO   93 - HB2   PRO   52   3.44 +/- 0.23   1.855% *  0.1017% (0.31   0.02   4.02) =   0.002%
          HG12  ILE  103 - HG2   MET   96   4.46 +/- 0.44   0.445% *  0.0868% (0.26   0.02   9.14) =   0.000%
          HB    VAL   41 - HG2   MET   96   6.73 +/- 1.17   0.048% *  0.0739% (0.22   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PRO   52   7.67 +/- 0.40   0.015% *  0.1236% (0.38   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   MET   96   6.39 +/- 0.37   0.045% *  0.0398% (0.12   0.02   9.14) =   0.000%
          HB3   ASP- 105 - HG2   MET   96   8.05 +/- 0.66   0.012% *  0.0330% (0.10   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   MET   96   9.35 +/- 0.39   0.004% *  0.0149% (0.05   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   52  13.07 +/- 0.83   0.001% *  0.0652% (0.20   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   52  17.23 +/- 0.41   0.000% *  0.1865% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   MET   96  15.35 +/- 0.42   0.000% *  0.0548% (0.17   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   52  20.83 +/- 0.55   0.000% *  0.3294% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   MET   96  14.04 +/- 0.38   0.000% *  0.0299% (0.09   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   52  17.67 +/- 0.68   0.000% *  0.1124% (0.34   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   52  20.89 +/- 0.36   0.000% *  0.2954% (0.90   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   MET   96  13.94 +/- 0.62   0.000% *  0.0241% (0.07   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   52  16.47 +/- 0.68   0.000% *  0.0508% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   MET   96  14.08 +/- 0.79   0.000% *  0.0191% (0.06   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   52  21.54 +/- 0.46   0.000% *  0.2517% (0.76   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   MET   96  18.73 +/- 0.43   0.000% *  0.0968% (0.29   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   MET   96  14.66 +/- 0.49   0.000% *  0.0149% (0.05   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   MET   96  20.48 +/- 0.65   0.000% *  0.0968% (0.29   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   PRO   52  21.75 +/- 0.40   0.000% *  0.1354% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   MET   96  20.28 +/- 0.46   0.000% *  0.0434% (0.13   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PRO   52  25.70 +/- 0.35   0.000% *  0.1477% (0.45   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   MET   96  21.73 +/- 0.34   0.000% *  0.0363% (0.11   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   52  25.34 +/- 0.35   0.000% *  0.0821% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   52  23.70 +/- 0.44   0.000% *  0.0508% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 0.999, support = 5.9, residual support = 204.1:
    * O T HG2   PRO   52 - HB2   PRO   52   2.80 +/- 0.00  76.032% * 98.2156% (1.00   5.91 204.25) =  99.931%  kept
          HG2   MET   92 - HB2   PRO   52   3.83 +/- 1.01  23.917% *  0.2151% (0.65   0.02   0.02) =   0.069%
          QG    GLU- 114 - HB2   PRO   52  10.97 +/- 0.42   0.022% *  0.2415% (0.73   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PRO   52  12.21 +/- 0.25   0.011% *  0.0513% (0.15   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   96  13.15 +/- 0.44   0.007% *  0.0709% (0.21   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   PRO   52  16.63 +/- 0.52   0.002% *  0.2663% (0.80   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   96  15.80 +/- 0.77   0.003% *  0.0782% (0.24   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   96  15.92 +/- 0.57   0.002% *  0.0632% (0.19   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   MET   96  18.14 +/- 0.43   0.001% *  0.0977% (0.29   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   MET   96  19.81 +/- 0.74   0.001% *  0.0924% (0.28   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   MET   96  18.80 +/- 0.66   0.001% *  0.0632% (0.19   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB2   PRO   52  29.19 +/- 0.49   0.000% *  0.3145% (0.95   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   MET   96  21.07 +/- 0.36   0.000% *  0.0151% (0.05   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   PRO   52  33.51 +/- 0.63   0.000% *  0.2151% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 5.91, residual support = 204.2:
    * O T HG3   PRO   52 - HB2   PRO   52   2.31 +/- 0.00  98.926% * 98.1802% (1.00   5.91 204.25) =  99.999%  kept
          HB2   PRO   93 - HB2   PRO   52   4.97 +/- 0.26   1.051% *  0.1025% (0.31   0.02   4.02) =   0.001%
        T HG2   PRO   58 - HB2   PRO   52  10.10 +/- 0.30   0.014% *  0.3322% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   MET   96  13.11 +/- 0.32   0.003% *  0.0301% (0.09   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG2   MET   96  16.82 +/- 0.38   0.001% *  0.0976% (0.29   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   MET   96  13.89 +/- 0.72   0.002% *  0.0193% (0.06   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   MET   96  14.13 +/- 1.07   0.002% *  0.0151% (0.05   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG2   MET   96  19.72 +/- 0.39   0.000% *  0.0976% (0.29   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   MET   96  22.59 +/- 1.36   0.000% *  0.0967% (0.29   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   MET   96  20.19 +/- 0.45   0.000% *  0.0366% (0.11   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   52  29.30 +/- 1.16   0.000% *  0.3292% (0.99   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   52  25.62 +/- 0.35   0.000% *  0.1247% (0.38   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   52  23.08 +/- 1.07   0.000% *  0.0513% (0.15   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   52  36.41 +/- 3.63   0.000% *  0.3256% (0.98   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   52  26.54 +/- 0.31   0.000% *  0.0657% (0.20   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   MET   96  30.06 +/- 3.07   0.000% *  0.0956% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 6.47, residual support = 204.2:
    * O T HD2   PRO   52 - HB2   PRO   52   3.85 +/- 0.00  99.297% * 97.8160% (1.00   6.47 204.25) =  99.999%  kept
          HA    SER   48 - HB2   PRO   52  11.02 +/- 0.30   0.184% *  0.2196% (0.73   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   MET   96  11.11 +/- 0.73   0.188% *  0.0820% (0.27   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PRO   52  16.19 +/- 0.42   0.018% *  0.2791% (0.92   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   MET   96  12.42 +/- 0.56   0.092% *  0.0432% (0.14   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   MET   96  14.09 +/- 0.80   0.044% *  0.0840% (0.28   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   PRO   52  17.06 +/- 0.76   0.014% *  0.1472% (0.49   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   MET   96  14.28 +/- 0.44   0.039% *  0.0247% (0.08   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PRO   52  20.17 +/- 0.39   0.005% *  0.1712% (0.57   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   MET   96  15.40 +/- 0.93   0.026% *  0.0303% (0.10   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG2   MET   96  18.31 +/- 0.33   0.009% *  0.0888% (0.29   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   PRO   52  18.79 +/- 0.38   0.007% *  0.0841% (0.28   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   MET   96  18.61 +/- 0.34   0.008% *  0.0645% (0.21   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   MET   96  15.87 +/- 0.77   0.021% *  0.0221% (0.07   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   MET   96  18.62 +/- 0.42   0.008% *  0.0503% (0.17   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PRO   52  20.19 +/- 0.37   0.005% *  0.0598% (0.20   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PRO   52  22.52 +/- 0.55   0.003% *  0.1031% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   MET   96  16.30 +/- 0.70   0.018% *  0.0137% (0.05   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PRO   52  24.88 +/- 0.52   0.001% *  0.1472% (0.49   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   MET   96  20.46 +/- 0.72   0.005% *  0.0432% (0.14   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PRO   52  29.22 +/- 0.38   0.001% *  0.2860% (0.95   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   MET   96  19.10 +/- 0.56   0.007% *  0.0176% (0.06   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PRO   52  28.54 +/- 0.34   0.001% *  0.0754% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PRO   52  30.11 +/- 0.27   0.000% *  0.0467% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.33 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 = 5.98, residual support = 204.2:
    * O T HA    PRO   52 - HB3   PRO   52   2.30 +/- 0.00  99.897% * 99.3397% (1.00   5.98 204.25) = 100.000%  kept
          HA    LYS+ 111 - HB3   PRO   52   8.44 +/- 0.30   0.042% *  0.2150% (0.65   0.02   0.02) =   0.000%
          HA    ALA   91 - HB3   PRO   52   8.77 +/- 0.63   0.039% *  0.1026% (0.31   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    LYS+  81   9.98 +/- 0.43   0.016% *  0.0118% (0.04   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   PRO   52  13.81 +/- 0.29   0.002% *  0.0658% (0.20   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    LYS+  81  12.95 +/- 0.35   0.003% *  0.0201% (0.06   0.02   0.02) =   0.000%
        T HA    PRO   52 - QB    LYS+  81  18.03 +/- 0.60   0.000% *  0.0381% (0.11   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   PRO   52  23.50 +/- 0.35   0.000% *  0.1748% (0.53   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QB    LYS+  81  20.42 +/- 0.47   0.000% *  0.0247% (0.07   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    LYS+  81  18.68 +/- 0.46   0.000% *  0.0075% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 5.91, residual support = 204.2:
    * O T HB2   PRO   52 - HB3   PRO   52   1.75 +/- 0.00  99.999% * 99.6079% (1.00   5.91 204.25) = 100.000%  kept
          HB2   ASP-  62 - HB3   PRO   52  16.09 +/- 0.54   0.000% *  0.1907% (0.57   0.02   0.02) =   0.000%
        T HG2   MET   96 - HB3   PRO   52  18.73 +/- 0.43   0.000% *  0.1264% (0.38   0.02   0.02) =   0.000%
        T HB2   PRO   52 - QB    LYS+  81  16.47 +/- 0.68   0.000% *  0.0386% (0.11   0.02   0.02) =   0.000%
        T HG2   MET   96 - QB    LYS+  81  14.66 +/- 0.49   0.000% *  0.0145% (0.04   0.02   0.02) =   0.000%
          HB2   ASP-  62 - QB    LYS+  81  24.36 +/- 0.51   0.000% *  0.0219% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 5.99, residual support = 204.2:
    * O T HG2   PRO   52 - HB3   PRO   52   2.31 +/- 0.00  94.242% * 98.5251% (1.00   5.99 204.25) =  99.987%  kept
          HG2   MET   92 - HB3   PRO   52   4.14 +/- 0.98   5.607% *  0.2127% (0.65   0.02   0.02) =   0.013%
          HB2   GLU-  79 - QB    LYS+  81   6.89 +/- 0.14   0.134% *  0.0302% (0.09   0.02   1.50) =   0.000%
          QG    GLU- 114 - HB3   PRO   52  11.61 +/- 0.49   0.006% *  0.2388% (0.73   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   PRO   52  13.17 +/- 0.22   0.003% *  0.0507% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   PRO   52  17.59 +/- 0.51   0.000% *  0.2633% (0.80   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    LYS+  81  14.60 +/- 1.53   0.003% *  0.0244% (0.07   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QB    LYS+  81  13.89 +/- 0.59   0.002% *  0.0357% (0.11   0.02   0.02) =   0.000%
        T HG2   PRO   52 - QB    LYS+  81  15.11 +/- 0.65   0.001% *  0.0377% (0.11   0.02   0.02) =   0.000%
          QG    GLU- 114 - QB    LYS+  81  19.18 +/- 0.36   0.000% *  0.0274% (0.08   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   52  30.44 +/- 0.49   0.000% *  0.3110% (0.95   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   PRO   52  35.20 +/- 0.60   0.000% *  0.2127% (0.65   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    LYS+  81  25.01 +/- 0.63   0.000% *  0.0244% (0.07   0.02   0.02) =   0.000%
        T HB2   PRO   58 - QB    LYS+  81  24.13 +/- 0.48   0.000% *  0.0058% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 515 (2.08, 1.84, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 204.2:
    * O T HG3   PRO   52 - HB3   PRO   52   2.96 +/- 0.00  98.910% * 98.4949% (1.00   6.00 204.25) =  99.999%  kept
        T HB2   PRO   93 - HB3   PRO   52   6.63 +/- 0.26   0.805% *  0.1014% (0.31   0.02   4.02) =   0.001%
        T HG2   PRO   58 - HB3   PRO   52  11.05 +/- 0.28   0.037% *  0.3285% (1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QB    LYS+  81   8.35 +/- 0.74   0.228% *  0.0058% (0.02   0.02   0.02) =   0.000%
        T HG3   PRO   52 - QB    LYS+  81  14.61 +/- 0.63   0.007% *  0.0377% (0.11   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    LYS+  81  14.25 +/- 0.35   0.008% *  0.0116% (0.04   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   52  30.89 +/- 1.16   0.000% *  0.3256% (0.99   0.02   0.02) =   0.000%
          QB    GLN   32 - QB    LYS+  81  16.98 +/- 0.57   0.003% *  0.0075% (0.02   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   52  27.26 +/- 0.33   0.000% *  0.1233% (0.38   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   52  24.27 +/- 1.06   0.000% *  0.0507% (0.15   0.02   0.02) =   0.000%
        T HG2   PRO   58 - QB    LYS+  81  23.20 +/- 0.45   0.000% *  0.0377% (0.11   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QB    LYS+  81  25.29 +/- 1.33   0.000% *  0.0373% (0.11   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   52  37.95 +/- 3.72   0.000% *  0.3220% (0.98   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   52  27.95 +/- 0.32   0.000% *  0.0650% (0.20   0.02   0.02) =   0.000%
          HG2   MET   11 - QB    LYS+  81  32.11 +/- 3.89   0.000% *  0.0369% (0.11   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    LYS+  81  27.63 +/- 0.33   0.000% *  0.0141% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.925, support = 0.0197, residual support = 188.3:
    * O T HD2   PRO   52 - HB3   PRO   52   4.04 +/- 0.00  38.745% * 14.1151% (1.00   0.02 204.25) =  92.178%  kept
          QB    SER   85 - QB    LYS+  81   3.92 +/- 0.22  47.178% *  0.7881% (0.06   0.02   0.02) =   6.267%  kept
          HB2   SER   82 - QB    LYS+  81   5.12 +/- 0.71  13.336% *  0.5523% (0.04   0.02  12.72) =   1.241%
          HA    SER   48 - HB3   PRO   52  11.41 +/- 0.30   0.077% * 10.2496% (0.73   0.02   0.02) =   0.134%
          HA    ALA   88 - QB    LYS+  81   8.62 +/- 0.43   0.431% *  1.4947% (0.11   0.02   0.02) =   0.109%
          HA    SER   48 - QB    LYS+  81   9.98 +/- 0.57   0.179% *  1.1757% (0.08   0.02   0.02) =   0.035%
          HA    ALA   88 - HB3   PRO   52  16.94 +/- 0.39   0.007% * 13.0298% (0.92   0.02   0.02) =   0.016%
          QB    SER   85 - HB3   PRO   52  17.70 +/- 0.77   0.006% *  6.8705% (0.49   0.02   0.02) =   0.007%
        T HD2   PRO   52 - QB    LYS+  81  14.76 +/- 0.53   0.016% *  1.6192% (0.11   0.02   0.02) =   0.005%
          HA    LYS+  65 - HB3   PRO   52  21.73 +/- 0.35   0.002% *  7.9913% (0.57   0.02   0.02) =   0.002%
          HA    VAL   18 - HB3   PRO   52  20.44 +/- 0.38   0.002% *  3.9245% (0.28   0.02   0.02) =   0.002%
          HA    ALA  120 - HB3   PRO   52  21.43 +/- 0.39   0.002% *  2.7934% (0.20   0.02   0.02) =   0.001%
          HB2   SER   82 - HB3   PRO   52  23.43 +/- 0.56   0.001% *  4.8148% (0.34   0.02   0.02) =   0.001%
        T HA    GLN   32 - QB    LYS+  81  19.48 +/- 0.46   0.003% *  1.5317% (0.11   0.02   0.02) =   0.001%
          HA2   GLY   16 - HB3   PRO   52  26.48 +/- 0.51   0.000% *  6.8705% (0.49   0.02   0.02) =   0.001%
        T HA    GLU-  29 - QB    LYS+  81  17.15 +/- 0.46   0.007% *  0.4037% (0.03   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB3   PRO   52  30.83 +/- 0.39   0.000% * 13.3523% (0.95   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  81  18.96 +/- 0.35   0.004% *  0.4502% (0.03   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB3   PRO   52  30.07 +/- 0.34   0.000% *  3.5196% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    LYS+  81  24.97 +/- 0.35   0.001% *  0.9167% (0.06   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    LYS+  81  25.87 +/- 0.41   0.001% *  0.7881% (0.06   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QB    LYS+  81  21.84 +/- 0.38   0.002% *  0.2498% (0.02   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB3   PRO   52  31.78 +/- 0.27   0.000% *  2.1779% (0.15   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  81  29.05 +/- 0.45   0.000% *  0.3204% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 517 (4.51, 2.32, 28.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 204.2:
    * O T HA    PRO   52 - HG2   PRO   52   3.88 +/- 0.00  96.039% * 99.4406% (1.00   5.97 204.25) =  99.995%  kept
          HA    ALA   91 - HG2   PRO   52   6.83 +/- 0.47   3.548% *  0.1028% (0.31   0.02   0.02) =   0.004%
          HA    LYS+ 111 - HG2   PRO   52   9.85 +/- 0.39   0.370% *  0.2154% (0.65   0.02   0.02) =   0.001%
          HA    VAL  107 - HG2   PRO   52  14.24 +/- 0.35   0.040% *  0.0659% (0.20   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   52  22.33 +/- 0.33   0.003% *  0.1752% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 5.91, residual support = 204.2:
    * O T HB2   PRO   52 - HG2   PRO   52   2.80 +/- 0.00  99.997% * 99.6823% (1.00   5.91 204.25) = 100.000%  kept
          HB2   ASP-  62 - HG2   PRO   52  17.30 +/- 0.53   0.002% *  0.1911% (0.57   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG2   PRO   52  18.14 +/- 0.43   0.001% *  0.1267% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 5.99, residual support = 204.2:
    * O T HB3   PRO   52 - HG2   PRO   52   2.31 +/- 0.00  99.384% * 98.0794% (1.00   5.99 204.25) =  99.999%  kept
          HG2   PRO   93 - HG2   PRO   52   5.52 +/- 0.30   0.565% *  0.1010% (0.31   0.02   4.02) =   0.001%
          HG2   ARG+  54 - HG2   PRO   52   8.46 +/- 0.33   0.042% *  0.1228% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   52  11.63 +/- 0.60   0.006% *  0.0648% (0.20   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   52  15.11 +/- 0.65   0.001% *  0.0505% (0.15   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   52  19.48 +/- 0.40   0.000% *  0.1853% (0.57   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   52  21.89 +/- 0.35   0.000% *  0.2936% (0.90   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   52  19.58 +/- 0.71   0.000% *  0.1117% (0.34   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   52  23.57 +/- 0.56   0.000% *  0.3273% (1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   52  22.78 +/- 0.46   0.000% *  0.2502% (0.76   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   52  22.83 +/- 0.37   0.000% *  0.1346% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   52  27.93 +/- 0.33   0.000% *  0.1467% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   52  26.17 +/- 0.33   0.000% *  0.0816% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   52  24.83 +/- 0.50   0.000% *  0.0505% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 520 (2.32, 2.32, 28.73 ppm):
    1 diagonal assignment:
    *     HG2   PRO   52 - HG2   PRO   52  (1.00)  kept
 
    Peak 521 (2.08, 2.32, 28.73 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.99, residual support = 204.2:
    * O T HG3   PRO   52 - HG2   PRO   52   1.75 +/- 0.00  99.950% * 98.6795% (1.00   5.99 204.25) = 100.000%  kept
          HB2   PRO   93 - HG2   PRO   52   6.29 +/- 0.28   0.049% *  0.1017% (0.31   0.02   4.02) =   0.000%
        T HG2   PRO   58 - HG2   PRO   52  12.70 +/- 0.22   0.001% *  0.3295% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   52  30.55 +/- 1.18   0.000% *  0.3266% (0.99   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   PRO   52  22.57 +/- 1.05   0.000% *  0.0508% (0.15   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   PRO   52  27.72 +/- 0.33   0.000% *  0.1237% (0.38   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   PRO   52  27.04 +/- 0.35   0.000% *  0.0652% (0.20   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   52  37.76 +/- 3.88   0.000% *  0.3230% (0.98   0.02   0.02) =   0.000%
    Distance limit 2.74 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 = 6.6, residual support = 204.2:
    * O T HD2   PRO   52 - HG2   PRO   52   2.87 +/- 0.00  99.910% * 98.4022% (1.00   6.60 204.25) = 100.000%  kept
          HA    SER   48 - HG2   PRO   52   9.47 +/- 0.36   0.080% *  0.2166% (0.73   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   52  15.41 +/- 0.28   0.004% *  0.2754% (0.92   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   52  15.98 +/- 0.73   0.004% *  0.1452% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   52  22.34 +/- 0.35   0.000% *  0.1689% (0.57   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   52  20.21 +/- 0.40   0.001% *  0.0830% (0.28   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   52  21.50 +/- 0.54   0.001% *  0.1018% (0.34   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   52  22.89 +/- 0.41   0.000% *  0.0590% (0.20   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   52  26.70 +/- 0.51   0.000% *  0.1452% (0.49   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   PRO   52  29.92 +/- 0.41   0.000% *  0.2822% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   PRO   52  28.91 +/- 0.35   0.000% *  0.0744% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   PRO   52  31.06 +/- 0.28   0.000% *  0.0460% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 523 (4.51, 2.08, 28.73 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 204.2:
    * O T HA    PRO   52 - HG3   PRO   52   3.97 +/- 0.00  94.442% * 98.7282% (1.00   5.98 204.25) =  99.992%  kept
          HA    ALA   91 - HG3   PRO   52   6.79 +/- 0.54   4.315% *  0.1020% (0.31   0.02   0.02) =   0.005%
        T HA    PRO   52 - HG2   PRO   58   9.59 +/- 0.19   0.481% *  0.2675% (0.81   0.02   0.02) =   0.001%
          HA    LYS+ 111 - HG3   PRO   52   9.70 +/- 0.31   0.454% *  0.2138% (0.65   0.02   0.02) =   0.001%
          HA    LYS+ 111 - HG2   PRO   58  11.24 +/- 0.25   0.186% *  0.1730% (0.52   0.02   0.02) =   0.000%
          HA    VAL  107 - HG3   PRO   52  13.36 +/- 0.30   0.066% *  0.0654% (0.20   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   PRO   58  14.65 +/- 0.33   0.038% *  0.0529% (0.16   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   PRO   58  17.85 +/- 0.53   0.012% *  0.0826% (0.25   0.02   0.02) =   0.000%
          HA    TRP   27 - HG3   PRO   52  20.80 +/- 0.33   0.005% *  0.1738% (0.53   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   58  23.96 +/- 0.36   0.002% *  0.1407% (0.43   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 524 (2.63, 2.08, 28.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.91, residual support = 204.2:
    * O T HB2   PRO   52 - HG3   PRO   52   2.31 +/- 0.00  99.731% * 99.1569% (1.00   5.91 204.25) = 100.000%  kept
          HB2   ASP-  62 - HG2   PRO   58   6.37 +/- 0.55   0.253% *  0.1538% (0.46   0.02   0.02) =   0.000%
        T HB2   PRO   52 - HG2   PRO   58  10.10 +/- 0.30   0.014% *  0.2716% (0.81   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HG3   PRO   52  15.96 +/- 0.53   0.001% *  0.1899% (0.57   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG3   PRO   52  16.82 +/- 0.38   0.001% *  0.1259% (0.38   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG2   PRO   58  19.72 +/- 0.39   0.000% *  0.1019% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 525 (1.84, 2.08, 28.73 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 204.2:
    * O T HB3   PRO   52 - HG3   PRO   52   2.96 +/- 0.00  89.448% * 96.3288% (1.00   6.00 204.25) =  99.988%  kept
        T HG2   PRO   93 - HG3   PRO   52   4.31 +/- 0.24   9.937% *  0.0992% (0.31   0.02   4.02) =   0.011%
          HG2   ARG+  54 - HG3   PRO   52   7.90 +/- 0.30   0.253% *  0.1206% (0.38   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58   9.09 +/- 0.86   0.153% *  0.0976% (0.30   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   PRO   58  11.05 +/- 0.28   0.033% *  0.2601% (0.81   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG2   PRO   58   9.57 +/- 0.30   0.079% *  0.0803% (0.25   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   58  10.81 +/- 0.27   0.038% *  0.1472% (0.46   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   58  13.56 +/- 0.46   0.010% *  0.2601% (0.81   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  11.36 +/- 0.51   0.029% *  0.0636% (0.20   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  14.61 +/- 0.63   0.007% *  0.0496% (0.15   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   52  18.16 +/- 0.39   0.002% *  0.1819% (0.57   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  16.72 +/- 0.47   0.003% *  0.0887% (0.28   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   52  20.68 +/- 0.34   0.001% *  0.2881% (0.90   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  18.31 +/- 0.71   0.002% *  0.1096% (0.34   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   PRO   52  21.22 +/- 0.42   0.001% *  0.2455% (0.76   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   58  18.98 +/- 0.19   0.001% *  0.1166% (0.36   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   PRO   52  22.51 +/- 0.53   0.000% *  0.3213% (1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   58  21.52 +/- 0.28   0.001% *  0.1988% (0.62   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   58  22.97 +/- 0.48   0.000% *  0.2333% (0.73   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   PRO   52  21.72 +/- 0.35   0.001% *  0.1321% (0.41   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   58  23.68 +/- 0.37   0.000% *  0.1069% (0.33   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  21.66 +/- 0.58   0.001% *  0.0515% (0.16   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   PRO   52  26.30 +/- 0.33   0.000% *  0.1440% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  24.69 +/- 0.34   0.000% *  0.0801% (0.25   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  24.75 +/- 0.51   0.000% *  0.0649% (0.20   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   PRO   52  23.73 +/- 0.44   0.000% *  0.0496% (0.15   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  23.20 +/- 0.45   0.000% *  0.0401% (0.12   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   58  24.16 +/- 0.42   0.000% *  0.0401% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 526 (2.32, 2.08, 28.73 ppm):
    14 chemical-shift based assignments, quality = 0.996, support = 5.97, residual support = 203.5:
    * O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  93.059% * 90.1392% (1.00   5.99 204.25) =  99.633%  kept
      O T HB2   PRO   58 - HG2   PRO   58   2.96 +/- 0.00   4.039% *  7.5193% (0.12   4.00 135.60) =   0.361%
          HG2   MET   92 - HG3   PRO   52   3.55 +/- 0.71   2.899% *  0.1947% (0.65   0.02   0.02) =   0.007%
          QG    GLU- 114 - HG3   PRO   52  12.22 +/- 0.50   0.001% *  0.2186% (0.73   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   PRO   58  12.70 +/- 0.22   0.001% *  0.2437% (0.81   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   PRO   58  12.99 +/- 0.36   0.001% *  0.1769% (0.59   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   PRO   58  13.28 +/- 0.89   0.001% *  0.1576% (0.52   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   PRO   52  14.66 +/- 0.51   0.000% *  0.2410% (0.80   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  13.57 +/- 0.14   0.000% *  0.0464% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   PRO   58  21.81 +/- 0.42   0.000% *  0.1951% (0.65   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  27.52 +/- 0.49   0.000% *  0.2847% (0.95   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  32.48 +/- 0.42   0.000% *  0.2305% (0.77   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   PRO   52  32.94 +/- 0.54   0.000% *  0.1947% (0.65   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   PRO   58  32.48 +/- 1.10   0.000% *  0.1576% (0.52   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 527 (2.08, 2.08, 28.73 ppm):
    2 diagonal assignments:
    *     HG3   PRO   52 - HG3   PRO   52  (1.00)  kept
          HG2   PRO   58 - HG2   PRO   58  (0.81)  kept
 
    Peak 528 (3.98, 2.08, 28.73 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 204.2:
    * O T HD2   PRO   52 - HG3   PRO   52   2.30 +/- 0.00  99.953% * 96.9145% (1.00   6.60 204.25) = 100.000%  kept
          HA    SER   48 - HG3   PRO   52   8.84 +/- 0.35   0.032% *  0.2134% (0.73   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG2   PRO   58  12.01 +/- 0.10   0.005% *  0.2379% (0.81   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   PRO   52  14.93 +/- 0.30   0.001% *  0.2712% (0.92   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   58  13.41 +/- 0.19   0.003% *  0.1347% (0.46   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   PRO   52  15.48 +/- 0.71   0.001% *  0.1430% (0.49   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   58  13.81 +/- 0.28   0.002% *  0.0471% (0.16   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   PRO   58  17.88 +/- 0.37   0.000% *  0.1727% (0.59   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   58  16.13 +/- 0.24   0.001% *  0.0661% (0.23   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   58  19.30 +/- 0.52   0.000% *  0.1158% (0.39   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG3   PRO   52  20.72 +/- 0.37   0.000% *  0.1664% (0.57   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   PRO   52  18.47 +/- 0.40   0.000% *  0.0817% (0.28   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   PRO   52  20.66 +/- 0.52   0.000% *  0.1002% (0.34   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   58  23.67 +/- 0.35   0.000% *  0.2196% (0.75   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   58  23.77 +/- 0.46   0.000% *  0.1158% (0.39   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   PRO   52  25.00 +/- 0.52   0.000% *  0.1430% (0.49   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   PRO   52  21.85 +/- 0.37   0.000% *  0.0581% (0.20   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   PRO   52  28.39 +/- 0.41   0.000% *  0.2780% (0.95   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG2   PRO   58  30.01 +/- 0.43   0.000% *  0.2250% (0.77   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   PRO   52  27.38 +/- 0.34   0.000% *  0.0733% (0.25   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   58  28.85 +/- 0.39   0.000% *  0.0811% (0.28   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG2   PRO   58  29.92 +/- 0.33   0.000% *  0.0593% (0.20   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   PRO   52  29.42 +/- 0.28   0.000% *  0.0453% (0.15   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG2   PRO   58  29.47 +/- 0.35   0.000% *  0.0367% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 529 (4.17, 4.17, 63.73 ppm):
    1 diagonal assignment:
    *     HA    CYS   53 - HA    CYS   53  (1.00)  kept
 
    Peak 530 (3.83, 4.17, 63.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 42.0:
    * O T HB2   CYS   53 - HA    CYS   53   3.00 +/- 0.02  97.034% * 97.9889% (1.00   2.96  41.97) =  99.988%  kept
          HD2   PRO   58 - HA    CYS   53   5.88 +/- 0.10   1.739% *  0.3487% (0.53   0.02   0.02) =   0.006%
          HD3   PRO   52 - HA    CYS   53   6.23 +/- 0.03   1.225% *  0.4552% (0.69   0.02  48.94) =   0.006%
          HA    VAL   83 - HA    CYS   53  19.83 +/- 0.46   0.001% *  0.2971% (0.45   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    CYS   53  23.18 +/- 0.34   0.000% *  0.5065% (0.76   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    CYS   53  21.59 +/- 0.45   0.001% *  0.1312% (0.20   0.02   0.02) =   0.000%
          HA    GLU- 100 - HA    CYS   53  26.80 +/- 0.30   0.000% *  0.2725% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 531 (3.34, 4.17, 63.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 42.0:
    * O T HB3   CYS   53 - HA    CYS   53   2.63 +/- 0.06  93.682% * 97.1521% (1.00   2.96  41.97) =  99.959%  kept
          HD3   PRO   93 - HA    CYS   53   4.70 +/- 0.41   3.292% *  0.6216% (0.95   0.02   0.02) =   0.022%
          QB    PHE   55 - HA    CYS   53   4.76 +/- 0.16   2.702% *  0.5700% (0.87   0.02   0.02) =   0.017%
          HD2   ARG+  54 - HA    CYS   53   7.89 +/- 0.43   0.138% *  0.6513% (0.99   0.02  30.50) =   0.001%
          HB2   PHE   59 - HA    CYS   53   7.74 +/- 0.77   0.185% *  0.3985% (0.61   0.02   0.02) =   0.001%
          HD3   PRO   68 - HA    CYS   53  19.56 +/- 0.45   0.001% *  0.6066% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 42.0:
    * O T HA    CYS   53 - HB2   CYS   53   3.00 +/- 0.02  99.991% * 98.3742% (1.00   2.96  41.97) = 100.000%  kept
          HA    ILE   19 - HB2   CYS   53  16.19 +/- 0.34   0.004% *  0.5967% (0.90   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   CYS   53  17.55 +/- 0.20   0.003% *  0.1317% (0.20   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   CYS   53  22.49 +/- 0.62   0.001% *  0.3239% (0.49   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HB2   CYS   53  24.27 +/- 0.50   0.000% *  0.4570% (0.69   0.02   0.02) =   0.000%
        T HA    SER   82 - HB2   CYS   53  20.75 +/- 0.61   0.001% *  0.1165% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 533 (3.83, 3.83, 34.62 ppm):
    1 diagonal assignment:
    *     HB2   CYS   53 - HB2   CYS   53  (1.00)  kept
 
    Peak 534 (3.34, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 42.0:
    * O T HB3   CYS   53 - HB2   CYS   53   1.75 +/- 0.00  99.878% * 97.1917% (1.00   3.00  41.97) =  99.999%  kept
          HD3   PRO   93 - HB2   CYS   53   6.34 +/- 0.47   0.050% *  0.6129% (0.95   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   CYS   53   6.56 +/- 0.12   0.037% *  0.5620% (0.87   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB2   CYS   53   6.89 +/- 0.52   0.031% *  0.6422% (0.99   0.02  30.50) =   0.000%
          HB2   PHE   59 - HB2   CYS   53   9.93 +/- 0.78   0.003% *  0.3930% (0.61   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   CYS   53  20.26 +/- 0.44   0.000% *  0.5981% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 2.96, residual support = 42.0:
    * O T HA    CYS   53 - HB3   CYS   53   2.63 +/- 0.06  99.996% * 98.3742% (1.00   2.96  41.97) = 100.000%  kept
          HA    ILE   19 - HB3   CYS   53  16.45 +/- 0.32   0.002% *  0.5967% (0.90   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   CYS   53  16.73 +/- 0.23   0.002% *  0.1317% (0.20   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   CYS   53  22.06 +/- 0.56   0.000% *  0.3239% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  25 - HB3   CYS   53  23.57 +/- 0.45   0.000% *  0.4570% (0.69   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   CYS   53  19.40 +/- 0.56   0.001% *  0.1165% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 536 (3.83, 3.34, 34.62 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 42.0:
    * O T HB2   CYS   53 - HB3   CYS   53   1.75 +/- 0.00  99.867% * 98.0170% (1.00   3.00  41.97) =  99.999%  kept
          HD3   PRO   52 - HB3   CYS   53   5.38 +/- 0.10   0.120% *  0.4489% (0.69   0.02  48.94) =   0.001%
          HD2   PRO   58 - HB3   CYS   53   7.76 +/- 0.10   0.013% *  0.3438% (0.53   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   CYS   53  18.54 +/- 0.58   0.000% *  0.2930% (0.45   0.02   0.02) =   0.000%
          HA    GLN   30 - HB3   CYS   53  22.44 +/- 0.43   0.000% *  0.4994% (0.76   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   CYS   53  19.86 +/- 0.53   0.000% *  0.1293% (0.20   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB3   CYS   53  27.12 +/- 0.39   0.000% *  0.2686% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 537 (3.34, 3.34, 34.62 ppm):
    1 diagonal assignment:
    *     HB3   CYS   53 - HB3   CYS   53  (1.00)  kept
 
    Peak 538 (4.11, 4.11, 59.18 ppm):
    2 diagonal assignments:
    *     HA    ARG+  54 - HA    ARG+  54  (1.00)  kept
          HA    LEU  115 - HA    LEU  115  (0.19)  kept
 
    Peak 539 (2.05, 4.11, 59.18 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 4.73, residual support = 161.1:
    * O T HB2   ARG+  54 - HA    ARG+  54   2.73 +/- 0.06  98.531% * 96.9176% (1.00   4.73 161.14) =  99.998%  kept
          HB    ILE  119 - HA    LEU  115   5.80 +/- 0.28   1.149% *  0.1095% (0.27   0.02  12.86) =   0.001%
          HB2   PRO   93 - HA    ARG+  54   8.13 +/- 0.37   0.154% *  0.3557% (0.87   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    LEU  115   8.39 +/- 0.50   0.128% *  0.1251% (0.30   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LEU  115  10.69 +/- 0.25   0.028% *  0.1095% (0.27   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ARG+  54  16.25 +/- 0.23   0.002% *  0.3557% (0.87   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    ARG+  54  17.54 +/- 0.23   0.001% *  0.4065% (0.99   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    LEU  115  15.82 +/- 0.25   0.003% *  0.1262% (0.31   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ARG+  54  23.37 +/- 0.54   0.000% *  0.3557% (0.87   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ARG+  54  22.83 +/- 0.87   0.000% *  0.2322% (0.57   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU  115  21.38 +/- 0.57   0.000% *  0.1095% (0.27   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ARG+  54  20.89 +/- 0.26   0.000% *  0.0913% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU  115  22.17 +/- 0.32   0.000% *  0.1010% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  18.95 +/- 0.36   0.001% *  0.0281% (0.07   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  22.24 +/- 0.70   0.000% *  0.0714% (0.17   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ARG+  54  31.94 +/- 0.33   0.000% *  0.3284% (0.80   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    ARG+  54  25.99 +/- 1.20   0.000% *  0.0633% (0.15   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    ARG+  54  32.47 +/- 3.93   0.000% *  0.0718% (0.18   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    LEU  115  27.05 +/- 1.14   0.000% *  0.0195% (0.05   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    LEU  115  33.67 +/- 2.53   0.000% *  0.0221% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 540 (1.86, 4.11, 59.18 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 4.9, residual support = 161.1:
    * O T HG2   ARG+  54 - HA    ARG+  54   2.49 +/- 0.41  98.989% * 95.6161% (1.00   4.90 161.14) =  99.999%  kept
          HB    ILE   56 - HA    ARG+  54   6.62 +/- 0.09   0.461% *  0.1606% (0.41   0.02   0.02) =   0.001%
        T HB3   PRO   52 - HA    ARG+  54   8.00 +/- 0.07   0.144% *  0.1466% (0.38   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LEU  115   7.92 +/- 0.37   0.151% *  0.1199% (0.31   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LEU  115   8.31 +/- 0.31   0.119% *  0.1004% (0.26   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LEU  115   8.76 +/- 0.18   0.085% *  0.0494% (0.13   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LEU  115  10.84 +/- 0.45   0.026% *  0.0451% (0.12   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  115  14.66 +/- 0.38   0.004% *  0.1199% (0.31   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ARG+  54  17.76 +/- 0.40   0.001% *  0.3263% (0.84   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LEU  115  16.54 +/- 0.74   0.003% *  0.1202% (0.31   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ARG+  54  18.41 +/- 0.49   0.001% *  0.3606% (0.92   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LEU  115  13.35 +/- 0.36   0.007% *  0.0451% (0.12   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    ARG+  54  19.52 +/- 0.62   0.001% *  0.3388% (0.87   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ARG+  54  20.22 +/- 0.72   0.001% *  0.3898% (1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    ARG+  54  22.82 +/- 0.23   0.000% *  0.3872% (0.99   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LEU  115  19.01 +/- 0.38   0.001% *  0.1191% (0.30   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  115  18.74 +/- 0.94   0.001% *  0.1110% (0.28   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ARG+  54  20.28 +/- 0.36   0.001% *  0.1466% (0.38   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  115  14.75 +/- 0.45   0.003% *  0.0211% (0.05   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ARG+  54  24.96 +/- 0.55   0.000% *  0.3770% (0.97   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ARG+  54  25.65 +/- 0.50   0.000% *  0.3898% (1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  115  22.16 +/- 0.40   0.000% *  0.1160% (0.30   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LEU  115  21.53 +/- 0.42   0.000% *  0.1043% (0.27   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ARG+  54  23.41 +/- 0.50   0.000% *  0.0603% (0.15   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    ARG+  54  24.46 +/- 0.55   0.000% *  0.0684% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LEU  115  23.53 +/- 0.33   0.000% *  0.0334% (0.09   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LEU  115  21.41 +/- 0.39   0.000% *  0.0185% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ARG+  54  31.62 +/- 0.41   0.000% *  0.1086% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 2 structures by 0.02 A, kept.
 
    Peak 541 (3.34, 4.11, 59.18 ppm):
    12 chemical-shift based assignments, quality = 0.983, support = 4.36, residual support = 138.7:
    *   T HD2   ARG+  54 - HA    ARG+  54   3.52 +/- 0.74  78.110% * 38.7541% (1.00   4.45 161.14) =  84.668%  kept
          QB    PHE   55 - HA    ARG+  54   5.14 +/- 0.11  10.858% * 27.4105% (0.80   3.93   1.96) =   8.325%  kept
          HB3   CYS   53 - HA    ARG+  54   5.47 +/- 0.07   7.549% * 33.1641% (0.99   3.84  30.50) =   7.003%  kept
          HB2   PHE   59 - HA    LEU  115   6.74 +/- 0.38   2.494% *  0.0282% (0.16   0.02  22.88) =   0.002%
          HD3   PRO   93 - HA    ARG+  54   8.92 +/- 0.35   0.390% *  0.1562% (0.90   0.02   0.02) =   0.002%
          HB2   PHE   59 - HA    ARG+  54   9.39 +/- 0.50   0.276% *  0.0916% (0.53   0.02   0.02) =   0.001%
          QB    PHE   55 - HA    LEU  115  10.05 +/- 0.26   0.202% *  0.0429% (0.25   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    LEU  115  11.98 +/- 0.30   0.067% *  0.0481% (0.28   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    LEU  115  13.59 +/- 0.27   0.032% *  0.0531% (0.30   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    LEU  115  16.27 +/- 0.44   0.011% *  0.0465% (0.27   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    ARG+  54  20.37 +/- 0.38   0.003% *  0.1511% (0.87   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HA    LEU  115  17.56 +/- 0.63   0.006% *  0.0536% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 542 (4.11, 2.05, 30.44 ppm):
    27 chemical-shift based assignments, quality = 1.0, support = 4.73, residual support = 161.1:
    * O T HA    ARG+  54 - HB2   ARG+  54   2.73 +/- 0.06  99.977% * 97.6844% (1.00   4.73 161.14) = 100.000%  kept
        T HA    LEU  115 - HB2   ARG+  54  15.82 +/- 0.25   0.003% *  0.2507% (0.61   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   GLU-  14  13.31 +/- 1.58   0.012% *  0.0273% (0.07   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ARG+  54  21.60 +/- 1.07   0.000% *  0.2674% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ARG+  54  18.60 +/- 0.31   0.001% *  0.0724% (0.18   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   GLU-  14  18.15 +/- 1.56   0.001% *  0.0393% (0.10   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   GLU-  14  17.68 +/- 1.58   0.002% *  0.0320% (0.08   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ARG+  54  27.13 +/- 0.54   0.000% *  0.4052% (0.98   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   MET   11  19.74 +/- 3.06   0.001% *  0.0179% (0.04   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   ARG+  54  28.82 +/- 0.75   0.000% *  0.2674% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   MET   11  22.42 +/- 3.89   0.001% *  0.0210% (0.05   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ARG+  54  29.53 +/- 0.53   0.000% *  0.1853% (0.45   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   GLU-  14  25.72 +/- 1.59   0.000% *  0.0596% (0.14   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB2   GLU-  14  25.99 +/- 1.20   0.000% *  0.0608% (0.15   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   MET   11  25.40 +/- 3.70   0.000% *  0.0259% (0.06   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   GLU-  14  22.42 +/- 1.95   0.000% *  0.0169% (0.04   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ARG+  54  30.87 +/- 1.17   0.000% *  0.1149% (0.28   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   GLU-  14  26.56 +/- 1.41   0.000% *  0.0393% (0.10   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ARG+  54  35.83 +/- 0.55   0.000% *  0.2175% (0.53   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB2   GLU-  14  27.05 +/- 1.14   0.000% *  0.0369% (0.09   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   MET   11  29.34 +/- 2.40   0.000% *  0.0392% (0.09   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG2   MET   11  32.47 +/- 3.93   0.000% *  0.0400% (0.10   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   MET   11  34.33 +/- 4.25   0.000% *  0.0259% (0.06   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   MET   11  28.85 +/- 2.98   0.000% *  0.0111% (0.03   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   MET   11  33.67 +/- 2.53   0.000% *  0.0242% (0.06   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   GLU-  14  31.50 +/- 1.14   0.000% *  0.0106% (0.03   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   MET   11  38.03 +/- 2.52   0.000% *  0.0070% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 543 (2.05, 2.05, 30.44 ppm):
    3 diagonal assignments:
    *     HB2   ARG+  54 - HB2   ARG+  54  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.02)  kept
          HG2   MET   11 - HG2   MET   11  (0.02)  kept
 
    Peak 545 (3.34, 2.05, 30.44 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.81, residual support = 161.1:
    * O T HD2   ARG+  54 - HB2   ARG+  54   2.55 +/- 0.39  94.553% * 97.8338% (1.00   4.81 161.14) =  99.980%  kept
          QB    PHE   55 - HB2   ARG+  54   4.42 +/- 0.30   4.911% *  0.3260% (0.80   0.02   1.96) =   0.017%
          HB3   CYS   53 - HB2   ARG+  54   7.05 +/- 0.48   0.432% *  0.4035% (0.99   0.02  30.50) =   0.002%
        T HD3   PRO   93 - HB2   ARG+  54   9.49 +/- 0.56   0.076% *  0.3651% (0.90   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   ARG+  54  10.68 +/- 0.47   0.022% *  0.2142% (0.53   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   GLU-  14  14.88 +/- 1.15   0.004% *  0.0519% (0.13   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   ARG+  54  22.53 +/- 0.50   0.000% *  0.3531% (0.87   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   MET   11  19.80 +/- 2.42   0.001% *  0.0341% (0.08   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB2   GLU-  14  25.07 +/- 1.22   0.000% *  0.0593% (0.15   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   GLU-  14  26.26 +/- 0.99   0.000% *  0.0479% (0.12   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   GLU-  14  24.48 +/- 1.09   0.000% *  0.0315% (0.08   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HB2   GLU-  14  28.42 +/- 1.56   0.000% *  0.0599% (0.15   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HB2   GLU-  14  28.27 +/- 1.15   0.000% *  0.0537% (0.13   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   11  32.29 +/- 3.88   0.000% *  0.0390% (0.10   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   11  32.10 +/- 3.12   0.000% *  0.0315% (0.08   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG2   MET   11  34.58 +/- 4.32   0.000% *  0.0394% (0.10   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   11  30.94 +/- 2.94   0.000% *  0.0207% (0.05   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG2   MET   11  35.62 +/- 3.67   0.000% *  0.0353% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 550 (4.11, 3.34, 43.59 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.45, residual support = 161.1:
    *   T HA    ARG+  54 - HD2   ARG+  54   3.52 +/- 0.74  99.981% * 98.1005% (1.00   4.45 161.14) = 100.000%  kept
        T HA    LEU  115 - HD2   ARG+  54  17.56 +/- 0.63   0.010% *  0.2674% (0.61   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   ARG+  54  22.47 +/- 0.48   0.002% *  0.2852% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD2   ARG+  54  20.49 +/- 0.65   0.004% *  0.0772% (0.18   0.02   0.02) =   0.000%
          HA    ALA  124 - HD2   ARG+  54  28.12 +/- 1.15   0.001% *  0.4322% (0.98   0.02   0.02) =   0.000%
          HA    ASN   28 - HD2   ARG+  54  29.58 +/- 0.99   0.000% *  0.2852% (0.65   0.02   0.02) =   0.000%
          HA    ALA   34 - HD2   ARG+  54  30.25 +/- 1.02   0.000% *  0.1977% (0.45   0.02   0.02) =   0.000%
          HA1   GLY  101 - HD2   ARG+  54  32.08 +/- 1.11   0.000% *  0.1226% (0.28   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   ARG+  54  36.62 +/- 1.01   0.000% *  0.2320% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 551 (2.05, 3.34, 43.59 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.81, residual support = 161.1:
    * O T HB2   ARG+  54 - HD2   ARG+  54   2.55 +/- 0.39  99.973% * 97.7576% (1.00   4.81 161.14) = 100.000%  kept
        T HB2   PRO   93 - HD2   ARG+  54  11.12 +/- 0.45   0.025% *  0.3529% (0.87   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   ARG+  54  18.59 +/- 0.75   0.001% *  0.3529% (0.87   0.02   0.02) =   0.000%
          HB    VAL  108 - HD2   ARG+  54  20.04 +/- 0.59   0.001% *  0.4032% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   ARG+  54  26.45 +/- 1.00   0.000% *  0.3529% (0.87   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   ARG+  54  25.78 +/- 1.20   0.000% *  0.2303% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   ARG+  54  23.40 +/- 1.12   0.000% *  0.0906% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   ARG+  54  35.25 +/- 0.88   0.000% *  0.3257% (0.80   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD2   ARG+  54  28.42 +/- 1.56   0.000% *  0.0628% (0.15   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD2   ARG+  54  34.58 +/- 4.32   0.000% *  0.0712% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 552 (1.86, 3.34, 43.59 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.82, residual support = 161.1:
    * O T HG2   ARG+  54 - HD2   ARG+  54   2.87 +/- 0.17  99.810% * 96.6512% (1.00   4.82 161.14) = 100.000%  kept
        T HB3   PRO   52 - HD2   ARG+  54   9.30 +/- 0.63   0.101% *  0.1506% (0.38   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   ARG+  54   9.38 +/- 0.49   0.085% *  0.1649% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   ARG+  54  20.52 +/- 0.61   0.001% *  0.3704% (0.92   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   ARG+  54  20.53 +/- 0.65   0.001% *  0.3351% (0.84   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HD2   ARG+  54  21.39 +/- 0.51   0.001% *  0.3480% (0.87   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   ARG+  54  23.37 +/- 0.94   0.000% *  0.4003% (1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD2   ARG+  54  25.39 +/- 1.05   0.000% *  0.3977% (0.99   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   ARG+  54  22.44 +/- 0.73   0.000% *  0.1506% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   ARG+  54  27.70 +/- 0.96   0.000% *  0.3872% (0.97   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   ARG+  54  28.85 +/- 0.67   0.000% *  0.4003% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   ARG+  54  26.47 +/- 1.02   0.000% *  0.0619% (0.15   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   ARG+  54  27.70 +/- 0.80   0.000% *  0.0703% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD2   ARG+  54  34.85 +/- 0.91   0.000% *  0.1116% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 553 (3.34, 3.34, 43.59 ppm):
    1 diagonal assignment:
    *     HD2   ARG+  54 - HD2   ARG+  54  (1.00)  kept
 
    Peak 554 (4.45, 4.45, 60.13 ppm):
    2 diagonal assignments:
    *     HA    PHE   55 - HA    PHE   55  (1.00)  kept
          HA    VAL   42 - HA    VAL   42  (0.13)  kept
 
    Peak 555 (3.33, 4.45, 60.13 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.39, residual support = 19.7:
    * O T QB    PHE   55 - HA    PHE   55   2.55 +/- 0.04  98.926% * 96.6680% (1.00   3.39  19.68) =  99.995%  kept
          HD2   ARG+  54 - HA    PHE   55   5.98 +/- 0.58   0.712% *  0.4569% (0.80   0.02   1.96) =   0.003%
          HB2   PHE   59 - HA    PHE   55   7.09 +/- 0.20   0.216% *  0.5117% (0.90   0.02   0.02) =   0.001%
          HB3   CYS   53 - HA    PHE   55   8.17 +/- 0.03   0.091% *  0.4950% (0.87   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    PHE   55   9.54 +/- 0.31   0.037% *  0.5593% (0.98   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    VAL   42  12.66 +/- 0.22   0.007% *  0.1331% (0.23   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    VAL   42  13.11 +/- 0.57   0.005% *  0.1204% (0.21   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    VAL   42  15.69 +/- 0.20   0.002% *  0.1316% (0.23   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   55  20.05 +/- 0.48   0.000% *  0.5656% (0.99   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    VAL   42  15.45 +/- 0.41   0.002% *  0.1165% (0.20   0.02   0.02) =   0.000%
        T QB    PHE   55 - HA    VAL   42  16.48 +/- 0.28   0.001% *  0.1343% (0.24   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    VAL   42  21.79 +/- 0.84   0.000% *  0.1075% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 556 (4.45, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.39, residual support = 19.7:
    * O T HA    PHE   55 - QB    PHE   55   2.55 +/- 0.04  99.271% * 98.6149% (1.00   3.39  19.68) =  99.996%  kept
          HA    ALA  110 - QB    PHE   55   5.82 +/- 0.25   0.725% *  0.5049% (0.87   0.02   0.47) =   0.004%
          HA    GLN   90 - QB    PHE   55  14.72 +/- 0.44   0.003% *  0.5506% (0.95   0.02   0.02) =   0.000%
        T HA    VAL   42 - QB    PHE   55  16.48 +/- 0.28   0.001% *  0.3296% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 557 (3.33, 3.33, 38.95 ppm):
    1 diagonal assignment:
    *     QB    PHE   55 - QB    PHE   55  (1.00)  kept
 
    Peak 558 (4.38, 4.38, 60.23 ppm):
    1 diagonal assignment:
    *     HA    ILE   56 - HA    ILE   56  (1.00)  kept
 
    Peak 559 (1.88, 4.38, 60.23 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.45, residual support = 114.2:
    * O T HB    ILE   56 - HA    ILE   56   2.78 +/- 0.01  98.446% * 96.8428% (1.00   4.45 114.22) =  99.997%  kept
        T HB3   PRO   58 - HA    ILE   56   5.66 +/- 0.06   1.384% *  0.2119% (0.49   0.02   0.16) =   0.003%
          HG2   ARG+  54 - HA    ILE   56   8.60 +/- 0.60   0.132% *  0.1790% (0.41   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    ILE   56  11.48 +/- 0.37   0.020% *  0.2990% (0.69   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ILE   56  13.24 +/- 0.37   0.009% *  0.3327% (0.76   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ILE   56  14.40 +/- 0.61   0.005% *  0.1952% (0.45   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE   56  17.95 +/- 0.56   0.001% *  0.2816% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE   56  20.17 +/- 0.40   0.001% *  0.3161% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ILE   56  21.86 +/- 0.30   0.000% *  0.3636% (0.84   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE   56  19.65 +/- 0.13   0.001% *  0.1485% (0.34   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ILE   56  20.66 +/- 0.43   0.001% *  0.1634% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE   56  23.21 +/- 0.43   0.000% *  0.2464% (0.57   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE   56  27.56 +/- 0.34   0.000% *  0.4201% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 4.48, residual support = 114.2:
    * O   QG2   ILE   56 - HA    ILE   56   3.06 +/- 0.01  99.942% * 97.8321% (1.00   4.48 114.22) = 100.000%  kept
          QB    ALA   91 - HA    ILE   56  12.54 +/- 0.79   0.025% *  0.3173% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   56  12.35 +/- 0.62   0.024% *  0.0865% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   56  18.60 +/- 0.24   0.002% *  0.4133% (0.95   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ILE   56  18.24 +/- 0.38   0.002% *  0.3173% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ILE   56  20.92 +/- 0.36   0.001% *  0.2826% (0.65   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   56  19.65 +/- 0.30   0.001% *  0.1640% (0.38   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   56  19.71 +/- 0.45   0.001% *  0.0765% (0.18   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HA    ILE   56  29.13 +/- 0.38   0.000% *  0.4133% (0.95   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   56  23.10 +/- 0.77   0.001% *  0.0973% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 3.9, residual support = 114.2:
    * O T QG1   ILE   56 - HA    ILE   56   2.14 +/- 0.05  99.987% * 98.4139% (1.00   3.90 114.22) = 100.000%  kept
          HB3   MET   92 - HA    ILE   56   9.92 +/- 0.41   0.010% *  0.0998% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HA    ILE   56  14.64 +/- 0.81   0.001% *  0.2454% (0.49   0.02   0.02) =   0.000%
          HB    ILE   89 - HA    ILE   56  16.01 +/- 0.18   0.001% *  0.3261% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    ILE   56  16.50 +/- 0.49   0.000% *  0.1556% (0.31   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - HA    ILE   56  20.89 +/- 0.47   0.000% *  0.4941% (0.98   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HA    ILE   56  19.96 +/- 0.66   0.000% *  0.2652% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 563 (4.38, 1.88, 41.57 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.45, residual support = 114.2:
    * O T HA    ILE   56 - HB    ILE   56   2.78 +/- 0.01  99.842% * 97.9059% (1.00   4.45 114.22) = 100.000%  kept
        T HA    PRO   58 - HB    ILE   56   8.39 +/- 0.02   0.131% *  0.1224% (0.28   0.02   0.16) =   0.000%
          HA    ASP- 113 - HB    ILE   56  11.17 +/- 0.17   0.024% *  0.2847% (0.65   0.02   0.02) =   0.000%
        T HA    LEU  123 - HB    ILE   56  18.34 +/- 0.45   0.001% *  0.4313% (0.98   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB    ILE   56  22.21 +/- 0.20   0.000% *  0.4163% (0.95   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    ILE   56  20.72 +/- 0.30   0.001% *  0.1809% (0.41   0.02   0.02) =   0.000%
          HA    ASN   35 - HB    ILE   56  26.17 +/- 0.36   0.000% *  0.4391% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    ILE   56  22.47 +/- 0.47   0.000% *  0.1097% (0.25   0.02   0.02) =   0.000%
          HA    SER   13 - HB    ILE   56  28.42 +/- 1.87   0.000% *  0.1097% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 5.4, residual support = 114.2:
    * O T QG2   ILE   56 - HB    ILE   56   2.12 +/- 0.00  99.985% * 98.1966% (1.00   5.40 114.22) = 100.000%  kept
          QB    ALA   91 - HB    ILE   56  10.29 +/- 0.81   0.011% *  0.2639% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   56  11.87 +/- 0.51   0.003% *  0.0719% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   56  18.76 +/- 0.25   0.000% *  0.3438% (0.95   0.02   0.02) =   0.000%
          QG2   THR   39 - HB    ILE   56  18.99 +/- 0.38   0.000% *  0.2639% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HB    ILE   56  19.95 +/- 0.40   0.000% *  0.2351% (0.65   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   56  20.14 +/- 0.27   0.000% *  0.1364% (0.38   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   56  20.31 +/- 0.45   0.000% *  0.0636% (0.18   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HB    ILE   56  29.63 +/- 0.38   0.000% *  0.3438% (0.95   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   56  23.62 +/- 0.75   0.000% *  0.0809% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 4.62, residual support = 114.2:
    * O T QG1   ILE   56 - HB    ILE   56   2.48 +/- 0.02  99.824% * 98.6569% (1.00   4.62 114.22) = 100.000%  kept
          HB3   MET   92 - HB    ILE   56   7.29 +/- 0.43   0.167% *  0.0845% (0.20   0.02   0.02) =   0.000%
          HB    ILE   89 - HB    ILE   56  13.94 +/- 0.20   0.003% *  0.2761% (0.65   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HB    ILE   56  13.89 +/- 0.88   0.004% *  0.2078% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    ILE   56  16.15 +/- 0.51   0.001% *  0.1317% (0.31   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB    ILE   56  21.33 +/- 0.49   0.000% *  0.4184% (0.98   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HB    ILE   56  20.58 +/- 0.64   0.000% *  0.2246% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 5.4, residual support = 114.2:
    * O T HB    ILE   56 - QG2   ILE   56   2.12 +/- 0.00  99.762% * 97.3857% (1.00   5.40 114.22) = 100.000%  kept
          HB2   MET   92 - QG2   ILE   56   7.39 +/- 0.32   0.058% *  0.2476% (0.69   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE   56   6.90 +/- 0.18   0.086% *  0.1482% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG2   ILE   56   7.10 +/- 0.06   0.071% *  0.1754% (0.49   0.02   0.16) =   0.000%
          QB    LYS+ 106 - QG2   ILE   56   9.61 +/- 0.32   0.012% *  0.2755% (0.76   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   ILE   56  11.24 +/- 0.62   0.005% *  0.1616% (0.45   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE   56  12.17 +/- 0.34   0.003% *  0.2332% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE   56  14.13 +/- 0.32   0.001% *  0.2617% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   ILE   56  16.01 +/- 0.24   0.001% *  0.3011% (0.84   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   ILE   56  15.61 +/- 0.39   0.001% *  0.1353% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE   56  17.69 +/- 0.33   0.000% *  0.2041% (0.57   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE   56  16.63 +/- 0.18   0.000% *  0.1229% (0.34   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QG2   ILE   56  21.86 +/- 0.24   0.000% *  0.3478% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 4.75, residual support = 114.2:
    * O T QG1   ILE   56 - QG2   ILE   56   2.14 +/- 0.01  99.776% * 98.6935% (1.00   4.75 114.22) = 100.000%  kept
          HB3   MET   92 - QG2   ILE   56   6.08 +/- 0.35   0.204% *  0.0822% (0.20   0.02   0.02) =   0.000%
          HB    ILE   89 - QG2   ILE   56  10.41 +/- 0.16   0.008% *  0.2686% (0.65   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QG2   ILE   56  10.89 +/- 0.74   0.007% *  0.2021% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG2   ILE   56  11.46 +/- 0.42   0.004% *  0.1282% (0.31   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG2   ILE   56  16.32 +/- 0.44   0.001% *  0.4070% (0.98   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG2   ILE   56  15.88 +/- 0.56   0.001% *  0.2185% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 573 (4.38, 1.72, 31.79 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.9, residual support = 114.2:
    * O T HA    ILE   56 - QG1   ILE   56   2.14 +/- 0.05  99.899% * 97.6206% (1.00   3.90 114.22) = 100.000%  kept
          HA    PRO   58 - QG1   ILE   56   7.08 +/- 0.07   0.077% *  0.1390% (0.28   0.02   0.16) =   0.000%
        T HA    ASP- 113 - QG1   ILE   56   8.79 +/- 0.19   0.021% *  0.3235% (0.65   0.02   0.02) =   0.000%
          HA    LEU  123 - QG1   ILE   56  14.18 +/- 0.41   0.001% *  0.4901% (0.98   0.02   0.02) =   0.000%
        T HA    LYS+  99 - QG1   ILE   56  17.86 +/- 0.21   0.000% *  0.4730% (0.95   0.02   0.02) =   0.000%
          HA    LEU   40 - QG1   ILE   56  16.50 +/- 0.26   0.000% *  0.2056% (0.41   0.02   0.02) =   0.000%
          HA    ASN   35 - QG1   ILE   56  21.65 +/- 0.31   0.000% *  0.4989% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG1   ILE   56  18.94 +/- 0.49   0.000% *  0.1247% (0.25   0.02   0.02) =   0.000%
          HA    SER   13 - QG1   ILE   56  24.38 +/- 1.56   0.000% *  0.1247% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 574 (1.88, 1.72, 31.79 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 114.2:
    * O T HB    ILE   56 - QG1   ILE   56   2.48 +/- 0.02  99.612% * 96.9573% (1.00   4.62 114.22) =  99.999%  kept
          HB3   PRO   58 - QG1   ILE   56   6.81 +/- 0.11   0.235% *  0.2042% (0.49   0.02   0.16) =   0.000%
          HB2   MET   92 - QG1   ILE   56   8.57 +/- 0.29   0.060% *  0.2882% (0.69   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG1   ILE   56   9.62 +/- 0.33   0.030% *  0.3206% (0.76   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG1   ILE   56   9.26 +/- 0.46   0.040% *  0.1725% (0.41   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG1   ILE   56  10.89 +/- 0.56   0.015% *  0.1881% (0.45   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG1   ILE   56  14.26 +/- 0.52   0.003% *  0.2714% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG1   ILE   56  16.72 +/- 0.32   0.001% *  0.3046% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG1   ILE   56  18.30 +/- 0.25   0.001% *  0.3504% (0.84   0.02   0.02) =   0.000%
          HB    ILE  103 - QG1   ILE   56  16.10 +/- 0.39   0.001% *  0.1574% (0.38   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG1   ILE   56  17.53 +/- 0.17   0.001% *  0.1431% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG1   ILE   56  19.71 +/- 0.35   0.000% *  0.2375% (0.57   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG1   ILE   56  23.22 +/- 0.29   0.000% *  0.4048% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 4.75, residual support = 114.2:
    * O T QG2   ILE   56 - QG1   ILE   56   2.14 +/- 0.01  99.975% * 97.9551% (1.00   4.75 114.22) = 100.000%  kept
          QB    ALA   91 - QG1   ILE   56   9.79 +/- 0.70   0.015% *  0.2992% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QG1   ILE   56  10.61 +/- 0.49   0.007% *  0.0816% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - QG1   ILE   56  15.44 +/- 0.21   0.001% *  0.3898% (0.95   0.02   0.02) =   0.000%
          QG2   THR   39 - QG1   ILE   56  15.44 +/- 0.33   0.001% *  0.2992% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   ILE   56  17.95 +/- 0.33   0.000% *  0.2666% (0.65   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG1   ILE   56  17.15 +/- 0.22   0.000% *  0.1547% (0.38   0.02   0.02) =   0.000%
          HG    LEU   71 - QG1   ILE   56  16.90 +/- 0.35   0.000% *  0.0722% (0.18   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG1   ILE   56  18.98 +/- 0.64   0.000% *  0.0917% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QG1   ILE   56  24.50 +/- 0.34   0.000% *  0.3898% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.906, support = 6.43, residual support = 127.7:
    * O T HA    PRO   58 - HD2   PRO   58   3.79 +/- 0.00  57.932% * 90.7529% (0.95   6.70 135.60) =  94.156%  kept
          HA    ILE   56 - HD2   PRO   58   4.00 +/- 0.08  41.913% *  7.7856% (0.26   2.07   0.16) =   5.844%  kept
          HA    THR   46 - HD2   PRO   58  10.55 +/- 0.42   0.129% *  0.1642% (0.57   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   58  15.26 +/- 0.36   0.014% *  0.1424% (0.50   0.02   0.02) =   0.000%
          HA    LEU  123 - HD2   PRO   58  17.44 +/- 0.47   0.006% *  0.1016% (0.36   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   58  20.93 +/- 0.33   0.002% *  0.2701% (0.94   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   58  22.25 +/- 0.28   0.001% *  0.2613% (0.91   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   58  26.34 +/- 1.78   0.001% *  0.2701% (0.94   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   58  29.61 +/- 0.61   0.000% *  0.1424% (0.50   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD2   PRO   58  24.30 +/- 0.26   0.001% *  0.0418% (0.15   0.02   0.02) =   0.000%
          HA    ASN   35 - HD2   PRO   58  28.06 +/- 0.40   0.000% *  0.0675% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 584 (2.35, 3.81, 50.93 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 6.62, residual support = 135.6:
    * O T HB2   PRO   58 - HD2   PRO   58   3.53 +/- 0.00  99.853% * 99.3473% (0.95   6.62 135.60) = 100.000%  kept
          HB2   GLN  116 - HD2   PRO   58  13.14 +/- 0.51   0.039% *  0.1701% (0.54   0.02   0.02) =   0.000%
          HG2   PRO   52 - HD2   PRO   58  11.13 +/- 0.13   0.102% *  0.0463% (0.15   0.02   0.02) =   0.000%
          HB3   PHE   97 - HD2   PRO   58  18.37 +/- 0.33   0.005% *  0.2181% (0.69   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HD2   PRO   58  28.81 +/- 0.37   0.000% *  0.1347% (0.42   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   58  30.70 +/- 0.53   0.000% *  0.0835% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.56 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 = 0.78, support = 0.0197, residual support = 117.7:
    * O T HB3   PRO   58 - HD2   PRO   58   4.12 +/- 0.00  82.428% * 12.9891% (0.79   0.02 135.60) =  86.816%  kept
          HB    ILE   56 - HD2   PRO   58   5.74 +/- 0.05  11.293% * 12.9891% (0.79   0.02   0.16) =  11.894%  kept
          HG2   ARG+  54 - HD2   PRO   58   6.53 +/- 0.55   6.175% *  2.3994% (0.15   0.02   0.02) =   1.201%
          HB2   MET   92 - HD2   PRO   58  14.16 +/- 0.63   0.053% * 15.0076% (0.91   0.02   0.02) =   0.065%
          QB    LYS+ 106 - HD2   PRO   58  16.43 +/- 0.38   0.021% *  6.3931% (0.39   0.02   0.02) =   0.011%
        T HB3   GLN   30 - HD2   PRO   58  22.94 +/- 0.41   0.003% * 15.5508% (0.95   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HD2   PRO   58  17.62 +/- 0.59   0.014% *  2.7234% (0.17   0.02   0.02) =   0.003%
          HB3   GLN   90 - HD2   PRO   58  20.17 +/- 0.50   0.006% *  4.7997% (0.29   0.02   0.02) =   0.002%
          QB    LYS+  81 - HD2   PRO   58  21.45 +/- 0.51   0.004% *  5.8364% (0.36   0.02   0.02) =   0.002%
        T HB3   LYS+  38 - HD2   PRO   58  29.31 +/- 0.37   0.001% * 14.7104% (0.89   0.02   0.02) =   0.001%
          QB    LYS+  33 - HD2   PRO   58  24.07 +/- 0.52   0.002% *  3.8776% (0.24   0.02   0.02) =   0.001%
          HG3   MET   11 - HD2   PRO   58  30.96 +/- 3.76   0.001% *  2.7234% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 20 structures by 0.16 A, eliminated.
    Peak unassigned.
 
    Peak 586 (2.08, 3.81, 50.93 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.62, residual support = 135.6:
    * O T HG2   PRO   58 - HD2   PRO   58   2.91 +/- 0.00  99.802% * 98.8029% (0.95   6.62 135.60) = 100.000%  kept
        T HG3   PRO   52 - HD2   PRO   58  10.08 +/- 0.12   0.058% *  0.2987% (0.95   0.02   0.02) =   0.000%
          HB2   PRO   93 - HD2   PRO   58   8.76 +/- 0.33   0.139% *  0.0922% (0.29   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   58  19.64 +/- 0.20   0.001% *  0.1121% (0.36   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   58  24.87 +/- 1.14   0.000% *  0.2961% (0.94   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   58  31.14 +/- 3.48   0.000% *  0.2928% (0.93   0.02   0.02) =   0.000%
          QB    GLN   32 - HD2   PRO   58  26.61 +/- 0.36   0.000% *  0.0591% (0.19   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   58  26.00 +/- 0.97   0.000% *  0.0461% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 5.98, residual support = 135.6:
    * O T HB2   PRO   58 - HA    PRO   58   2.30 +/- 0.00  99.995% * 99.2784% (1.00   5.98 135.60) = 100.000%  kept
        T HB2   GLN  116 - HA    PRO   58  13.70 +/- 0.59   0.002% *  0.1880% (0.57   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    PRO   58  17.17 +/- 0.39   0.001% *  0.2411% (0.73   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    PRO   58  14.47 +/- 0.16   0.002% *  0.0512% (0.15   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    PRO   58  27.31 +/- 0.31   0.000% *  0.1489% (0.45   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   58  30.29 +/- 0.52   0.000% *  0.0923% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 590 (1.89, 4.41, 66.06 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 6.18, residual support = 135.6:
    * O T HB3   PRO   58 - HA    PRO   58   2.73 +/- 0.00  99.819% * 97.8797% (0.84   6.18 135.60) = 100.000%  kept
        T HB    ILE   56 - HA    PRO   58   8.39 +/- 0.02   0.119% *  0.3165% (0.84   0.02   0.16) =   0.000%
          HG2   ARG+  54 - HA    PRO   58   9.64 +/- 0.47   0.055% *  0.0585% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    PRO   58  16.85 +/- 0.55   0.002% *  0.3657% (0.97   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    PRO   58  16.68 +/- 0.42   0.002% *  0.1558% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    PRO   58  21.69 +/- 0.46   0.000% *  0.3789% (1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   58  16.82 +/- 0.53   0.002% *  0.0664% (0.18   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    PRO   58  22.83 +/- 0.45   0.000% *  0.1422% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   58  22.29 +/- 0.39   0.000% *  0.1170% (0.31   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    PRO   58  27.03 +/- 0.45   0.000% *  0.3585% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   58  22.40 +/- 0.57   0.000% *  0.0945% (0.25   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    PRO   58  27.97 +/- 3.56   0.000% *  0.0664% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 591 (2.08, 4.41, 66.06 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 135.6:
    * O T HG2   PRO   58 - HA    PRO   58   3.97 +/- 0.00  99.653% * 98.6772% (1.00   5.98 135.60) =  99.999%  kept
          HB2   PRO   93 - HA    PRO   58  10.84 +/- 0.25   0.244% *  0.1019% (0.31   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    PRO   58  13.21 +/- 0.17   0.074% *  0.3301% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   58  16.17 +/- 0.23   0.022% *  0.1239% (0.38   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   58  22.16 +/- 1.11   0.003% *  0.3272% (0.99   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   58  28.13 +/- 3.27   0.001% *  0.3235% (0.98   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   58  25.41 +/- 0.40   0.001% *  0.0653% (0.20   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   58  26.20 +/- 0.92   0.001% *  0.0509% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 592 (3.81, 4.41, 66.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.7, residual support = 135.6:
    * O T HD2   PRO   58 - HA    PRO   58   3.79 +/- 0.00  99.523% * 99.1897% (0.95   6.70 135.60) =  99.999%  kept
          HB2   CYS   53 - HA    PRO   58   9.25 +/- 0.15   0.474% *  0.1067% (0.34   0.02   0.02) =   0.001%
          HA    VAL   83 - HA    PRO   58  25.34 +/- 0.50   0.001% *  0.3066% (0.98   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HA    PRO   58  26.84 +/- 0.42   0.001% *  0.3100% (0.99   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HA    PRO   58  26.07 +/- 0.33   0.001% *  0.0870% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 593 (4.41, 2.35, 31.07 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 135.6:
    * O T HA    PRO   58 - HB2   PRO   58   2.30 +/- 0.00  99.754% * 98.1366% (1.00   5.98 135.60) = 100.000%  kept
          HA    ILE   56 - HB2   PRO   58   6.29 +/- 0.07   0.240% *  0.0913% (0.28   0.02   0.16) =   0.000%
          HA    THR   46 - HB2   PRO   58  13.61 +/- 0.40   0.002% *  0.1991% (0.61   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   PRO   58  14.48 +/- 0.36   0.002% *  0.1727% (0.53   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   PRO   58  15.44 +/- 0.54   0.001% *  0.1232% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   PRO   58  20.27 +/- 0.35   0.000% *  0.3275% (1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   PRO   58  22.34 +/- 0.28   0.000% *  0.3168% (0.97   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   PRO   58  25.42 +/- 1.67   0.000% *  0.3275% (1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   PRO   58  29.41 +/- 0.66   0.000% *  0.1727% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PRO   58  24.65 +/- 0.31   0.000% *  0.0507% (0.15   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PRO   58  28.55 +/- 0.40   0.000% *  0.0819% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 4.2, residual support = 135.6:
    * O T HB3   PRO   58 - HB2   PRO   58   1.75 +/- 0.00  99.988% * 96.9063% (0.84   4.20 135.60) = 100.000%  kept
          HB    ILE   56 - HB2   PRO   58   8.73 +/- 0.04   0.007% *  0.4618% (0.84   0.02   0.16) =   0.000%
          HG2   ARG+  54 - HB2   PRO   58   9.44 +/- 0.67   0.005% *  0.0853% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   PRO   58  17.40 +/- 0.57   0.000% *  0.5336% (0.97   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   PRO   58  17.87 +/- 0.41   0.000% *  0.2273% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   PRO   58  23.95 +/- 0.45   0.000% *  0.5529% (1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   58  18.20 +/- 0.48   0.000% *  0.0968% (0.18   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   58  24.13 +/- 0.48   0.000% *  0.2075% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   58  23.38 +/- 0.48   0.000% *  0.1707% (0.31   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PRO   58  29.03 +/- 0.44   0.000% *  0.5230% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   58  24.44 +/- 0.57   0.000% *  0.1379% (0.25   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   58  29.81 +/- 3.66   0.000% *  0.0968% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.73 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 = 4.0, residual support = 135.6:
    * O T HG2   PRO   58 - HB2   PRO   58   2.96 +/- 0.00  99.962% * 98.0356% (1.00   4.00 135.60) = 100.000%  kept
        T HG3   PRO   52 - HB2   PRO   58  13.57 +/- 0.14   0.011% *  0.4902% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   PRO   58  11.87 +/- 0.29   0.024% *  0.1513% (0.31   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   58  17.96 +/- 0.26   0.002% *  0.1840% (0.38   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   58  24.28 +/- 1.14   0.000% *  0.4858% (0.99   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   58  29.97 +/- 3.36   0.000% *  0.4805% (0.98   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   58  27.42 +/- 0.39   0.000% *  0.0970% (0.20   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   58  28.18 +/- 0.94   0.000% *  0.0756% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 6.62, residual support = 135.6:
    * O T HD2   PRO   58 - HB2   PRO   58   3.53 +/- 0.00  99.804% * 99.1789% (0.95   6.62 135.60) = 100.000%  kept
          HB2   CYS   53 - HB2   PRO   58  10.00 +/- 0.15   0.195% *  0.1081% (0.34   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   PRO   58  27.13 +/- 0.48   0.000% *  0.3107% (0.98   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB2   PRO   58  28.82 +/- 0.40   0.000% *  0.3142% (0.99   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB2   PRO   58  28.12 +/- 0.32   0.000% *  0.0881% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 598 (4.41, 1.89, 31.07 ppm):
    11 chemical-shift based assignments, quality = 0.835, support = 6.18, residual support = 135.6:
    * O T HA    PRO   58 - HB3   PRO   58   2.73 +/- 0.00  98.722% * 98.1975% (0.84   6.18 135.60) =  99.999%  kept
        T HA    ILE   56 - HB3   PRO   58   5.66 +/- 0.06   1.260% *  0.0883% (0.23   0.02   0.16) =   0.001%
          HA    THR   46 - HB3   PRO   58  13.74 +/- 0.35   0.006% *  0.1926% (0.51   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   PRO   58  14.60 +/- 0.36   0.004% *  0.1671% (0.44   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   PRO   58  13.95 +/- 0.54   0.006% *  0.1192% (0.31   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   PRO   58  20.26 +/- 0.39   0.001% *  0.3168% (0.83   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   PRO   58  21.36 +/- 0.27   0.000% *  0.3065% (0.81   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   58  25.60 +/- 1.62   0.000% *  0.3168% (0.83   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   58  28.74 +/- 0.61   0.000% *  0.1671% (0.44   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PRO   58  23.64 +/- 0.32   0.000% *  0.0490% (0.13   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PRO   58  27.78 +/- 0.38   0.000% *  0.0792% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 4.2, residual support = 135.6:
    * O T HB2   PRO   58 - HB3   PRO   58   1.75 +/- 0.00  99.998% * 98.9750% (0.84   4.20 135.60) = 100.000%  kept
          HB2   GLN  116 - HB3   PRO   58  11.75 +/- 0.67   0.001% *  0.2671% (0.47   0.02   0.02) =   0.000%
        T HB3   PHE   97 - HB3   PRO   58  17.69 +/- 0.38   0.000% *  0.3425% (0.61   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   PRO   58  14.74 +/- 0.20   0.000% *  0.0728% (0.13   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   PRO   58  28.05 +/- 0.32   0.000% *  0.2115% (0.37   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   58  32.55 +/- 0.45   0.000% *  0.1311% (0.23   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 600 (1.89, 1.89, 31.07 ppm):
    1 diagonal assignment:
    *     HB3   PRO   58 - HB3   PRO   58  (0.70)  kept
 
    Peak 601 (2.08, 1.89, 31.07 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.2, residual support = 135.6:
    * O T HG2   PRO   58 - HB3   PRO   58   2.31 +/- 0.00  99.991% * 98.1259% (0.84   4.20 135.60) = 100.000%  kept
        T HG3   PRO   52 - HB3   PRO   58  13.68 +/- 0.20   0.002% *  0.4677% (0.84   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   PRO   58  11.71 +/- 0.26   0.006% *  0.1443% (0.26   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   58  17.53 +/- 0.24   0.001% *  0.1755% (0.31   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HB3   PRO   58  24.44 +/- 1.11   0.000% *  0.4635% (0.83   0.02   0.02) =   0.000%
        T HG2   MET   11 - HB3   PRO   58  30.19 +/- 3.19   0.000% *  0.4584% (0.82   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   58  27.08 +/- 0.36   0.000% *  0.0925% (0.17   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   58  28.15 +/- 0.93   0.000% *  0.0722% (0.13   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 602 (3.81, 1.89, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.79, support = 6.96, residual support = 135.6:
    * O T HD2   PRO   58 - HB3   PRO   58   4.12 +/- 0.00  99.650% * 99.2195% (0.79   6.96 135.60) = 100.000%  kept
          HB2   CYS   53 - HB3   PRO   58  10.60 +/- 0.14   0.346% *  0.1028% (0.28   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   PRO   58  26.86 +/- 0.45   0.001% *  0.2953% (0.82   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB3   PRO   58  27.84 +/- 0.38   0.001% *  0.2986% (0.83   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB3   PRO   58  27.24 +/- 0.31   0.001% *  0.0838% (0.23   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 603 (4.41, 2.08, 28.60 ppm):
    22 chemical-shift based assignments, quality = 0.964, support = 5.77, residual support = 130.8:
    * O T HA    PRO   58 - HG2   PRO   58   3.97 +/- 0.00  44.472% * 93.5520% (1.00   5.98 135.60) =  96.443%  kept
          HA    ILE   56 - HG2   PRO   58   3.90 +/- 0.09  49.753% *  3.0672% (0.28   0.71   0.16) =   3.537%
          HA    THR   46 - HG3   PRO   52   5.68 +/- 0.13   5.225% *  0.1537% (0.49   0.02   0.02) =   0.019%
          HA    ILE   56 - HG3   PRO   52   8.62 +/- 0.31   0.435% *  0.0704% (0.23   0.02   0.02) =   0.001%
          HA    THR   46 - HG2   PRO   58  12.52 +/- 0.34   0.046% *  0.1898% (0.61   0.02   0.02) =   0.000%
        T HA    PRO   58 - HG3   PRO   52  13.21 +/- 0.17   0.033% *  0.2533% (0.81   0.02   0.02) =   0.000%
          HA    GLN   17 - HG2   PRO   58  16.01 +/- 0.35   0.010% *  0.1646% (0.53   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   PRO   58  15.24 +/- 0.53   0.014% *  0.1174% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   PRO   58  21.62 +/- 0.38   0.002% *  0.3122% (1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   PRO   58  21.94 +/- 0.25   0.002% *  0.3020% (0.97   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   52  20.70 +/- 0.46   0.002% *  0.1333% (0.43   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   52  23.83 +/- 0.15   0.001% *  0.2445% (0.78   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   52  25.27 +/- 0.48   0.001% *  0.2528% (0.81   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   PRO   58  27.12 +/- 1.67   0.000% *  0.3122% (1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   PRO   52  24.13 +/- 0.40   0.001% *  0.0951% (0.30   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   52  30.99 +/- 2.18   0.000% *  0.2528% (0.81   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG2   PRO   58  24.03 +/- 0.26   0.001% *  0.0483% (0.15   0.02   0.02) =   0.000%
          HA    SER   37 - HG2   PRO   58  29.68 +/- 0.55   0.000% *  0.1646% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG3   PRO   52  24.89 +/- 0.21   0.001% *  0.0391% (0.12   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   PRO   58  28.23 +/- 0.34   0.000% *  0.0780% (0.25   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   52  31.53 +/- 0.35   0.000% *  0.1333% (0.43   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   PRO   52  28.07 +/- 0.34   0.000% *  0.0632% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 604 (2.35, 2.08, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.29, support = 5.61, residual support = 191.3:
      O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  95.838% * 15.4568% (0.12   5.99 204.25) =  81.167%  kept
    * O T HB2   PRO   58 - HG2   PRO   58   2.96 +/- 0.00   4.159% * 82.6356% (1.00   4.00 135.60) =  18.833%  kept
          HB2   GLN  116 - HG2   PRO   58  10.86 +/- 0.61   0.002% *  0.2339% (0.57   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  13.57 +/- 0.14   0.000% *  0.3345% (0.81   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   PRO   58  12.70 +/- 0.22   0.001% *  0.0638% (0.15   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG3   PRO   52  15.96 +/- 0.48   0.000% *  0.1894% (0.46   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   PRO   58  17.82 +/- 0.34   0.000% *  0.3000% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   PRO   52  19.25 +/- 0.37   0.000% *  0.2429% (0.59   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   PRO   58  28.38 +/- 0.35   0.000% *  0.1852% (0.45   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   PRO   52  28.87 +/- 0.41   0.000% *  0.1500% (0.36   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  27.52 +/- 0.49   0.000% *  0.0930% (0.23   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  32.48 +/- 0.42   0.000% *  0.1149% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 605 (1.89, 2.08, 28.60 ppm):
    24 chemical-shift based assignments, quality = 0.835, support = 4.2, residual support = 135.6:
    * O T HB3   PRO   58 - HG2   PRO   58   2.31 +/- 0.00  95.264% * 94.1948% (0.84   4.20 135.60) =  99.978%  kept
          HB2   MET   92 - HG3   PRO   52   5.32 +/- 0.82   4.083% *  0.4199% (0.78   0.02   0.02) =   0.019%
          HB    ILE   56 - HG3   PRO   52   6.00 +/- 0.37   0.338% *  0.3634% (0.68   0.02   0.02) =   0.001%
          HB    ILE   56 - HG2   PRO   58   6.43 +/- 0.05   0.202% *  0.4489% (0.84   0.02   0.16) =   0.001%
          HG2   ARG+  54 - HG3   PRO   52   7.90 +/- 0.30   0.061% *  0.0671% (0.12   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58   9.09 +/- 0.86   0.037% *  0.0829% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  11.36 +/- 0.51   0.007% *  0.1343% (0.25   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG3   PRO   52  13.68 +/- 0.20   0.002% *  0.3634% (0.68   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   PRO   58  15.16 +/- 0.47   0.001% *  0.5187% (0.97   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   PRO   52  14.07 +/- 0.35   0.002% *  0.1789% (0.33   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  14.61 +/- 0.63   0.001% *  0.1633% (0.30   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   PRO   58  16.17 +/- 0.39   0.001% *  0.2210% (0.41   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  16.72 +/- 0.47   0.001% *  0.0941% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   PRO   52  22.40 +/- 0.30   0.000% *  0.4351% (0.81   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   PRO   58  24.03 +/- 0.35   0.000% *  0.5375% (1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  18.31 +/- 0.71   0.000% *  0.0762% (0.14   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  21.66 +/- 0.58   0.000% *  0.1659% (0.31   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  23.20 +/- 0.45   0.000% *  0.2017% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   PRO   58  28.99 +/- 0.36   0.000% *  0.5084% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  24.75 +/- 0.51   0.000% *  0.1340% (0.25   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  24.69 +/- 0.34   0.000% *  0.1085% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   PRO   52  31.26 +/- 0.18   0.000% *  0.4116% (0.77   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG2   PRO   58  31.68 +/- 3.53   0.000% *  0.0941% (0.18   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   PRO   52  35.92 +/- 3.98   0.000% *  0.0762% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 606 (2.08, 2.08, 28.60 ppm):
    2 diagonal assignments:
    *     HG2   PRO   58 - HG2   PRO   58  (1.00)  kept
          HG3   PRO   52 - HG3   PRO   52  (0.81)  kept
 
    Peak 607 (3.81, 2.08, 28.60 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 6.62, residual support = 135.6:
    * O T HD2   PRO   58 - HG2   PRO   58   2.91 +/- 0.00  97.899% * 98.2869% (0.95   6.62 135.60) =  99.998%  kept
          HB2   CYS   53 - HG3   PRO   52   5.61 +/- 0.18   1.950% *  0.0867% (0.28   0.02  48.94) =   0.002%
        T HD2   PRO   58 - HG3   PRO   52  10.08 +/- 0.12   0.057% *  0.2406% (0.77   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   PRO   58   9.30 +/- 0.13   0.092% *  0.1072% (0.34   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   52  18.80 +/- 0.45   0.001% *  0.2493% (0.79   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   PRO   58  26.05 +/- 0.42   0.000% *  0.3079% (0.98   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG2   PRO   58  28.24 +/- 0.32   0.000% *  0.3114% (0.99   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   52  28.54 +/- 0.38   0.000% *  0.2521% (0.80   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   58  27.90 +/- 0.26   0.000% *  0.0873% (0.28   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   52  29.19 +/- 0.23   0.000% *  0.0707% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 2.97, residual support = 54.7:
    * O T HB2   PHE   59 - HA    PHE   59   2.64 +/- 0.31  99.836% * 97.5885% (1.00   2.97  54.66) =  99.999%  kept
          QB    PHE   55 - HA    PHE   59   8.42 +/- 0.19   0.115% *  0.5900% (0.90   0.02   0.02) =   0.001%
          HD3   PRO   68 - HA    PHE   59  12.21 +/- 0.39   0.013% *  0.5495% (0.84   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    PHE   59  11.68 +/- 0.13   0.017% *  0.3990% (0.61   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    PHE   59  12.97 +/- 0.30   0.009% *  0.5268% (0.80   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    PHE   59  12.96 +/- 0.85   0.011% *  0.3461% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 3.93, residual support = 54.7:
    * O T HB3   PHE   59 - HA    PHE   59   2.84 +/- 0.29  99.999% * 99.7726% (1.00   3.93  54.66) = 100.000%  kept
          HB3   TRP   49 - HA    PHE   59  20.03 +/- 0.14   0.001% *  0.2274% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 2.97, residual support = 54.7:
    * O T HA    PHE   59 - HB2   PHE   59   2.64 +/- 0.31  99.964% * 98.9218% (1.00   2.97  54.66) = 100.000%  kept
          HA    ASP- 113 - HB2   PHE   59  10.07 +/- 0.86   0.034% *  0.3776% (0.57   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   PHE   59  20.03 +/- 0.78   0.001% *  0.4314% (0.65   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PHE   59  20.19 +/- 0.40   0.001% *  0.1663% (0.25   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PHE   59  24.67 +/- 0.57   0.000% *  0.1029% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 54.7:
    * O T HB3   PHE   59 - HB2   PHE   59   1.75 +/- 0.00 100.000% * 99.7400% (1.00   3.44  54.66) = 100.000%  kept
          HB3   TRP   49 - HB2   PHE   59  18.29 +/- 0.73   0.000% *  0.2600% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 3.93, residual support = 54.7:
    * O T HA    PHE   59 - HB3   PHE   59   2.84 +/- 0.29  99.951% * 99.1849% (1.00   3.93  54.66) = 100.000%  kept
          HA    ASP- 113 - HB3   PHE   59  10.38 +/- 0.49   0.046% *  0.2854% (0.57   0.02   0.02) =   0.000%
          HA    TRP   87 - HB3   PHE   59  19.67 +/- 0.53   0.001% *  0.3261% (0.65   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PHE   59  20.07 +/- 0.31   0.001% *  0.1257% (0.25   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PHE   59  24.46 +/- 0.43   0.000% *  0.0778% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 54.7:
    * O T HB2   PHE   59 - HB3   PHE   59   1.75 +/- 0.00  99.951% * 97.9133% (1.00   3.44  54.66) = 100.000%  kept
          QB    PHE   55 - HB3   PHE   59   6.48 +/- 0.28   0.041% *  0.5105% (0.90   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB3   PHE   59   9.61 +/- 0.70   0.004% *  0.3453% (0.61   0.02   0.02) =   0.000%
          HD3   PRO   93 - HB3   PHE   59  10.38 +/- 0.60   0.002% *  0.4558% (0.80   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB3   PHE   59  11.77 +/- 0.67   0.001% *  0.2995% (0.53   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB3   PHE   59  14.38 +/- 0.35   0.000% *  0.4755% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 70.2:
    * O T HB2   PHE   60 - HA    PHE   60   3.02 +/- 0.03  99.994% * 99.5069% (1.00   4.00  70.18) = 100.000%  kept
          HB2   TRP   87 - HA    PHE   60  15.30 +/- 0.30   0.006% *  0.4931% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 70.2:
    * O T HB3   PHE   60 - HA    PHE   60   2.39 +/- 0.05  99.985% * 98.9080% (1.00   4.00  70.18) = 100.000%  kept
          HB2   PHE   97 - HA    PHE   60  11.06 +/- 0.22   0.010% *  0.2602% (0.53   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    PHE   60  13.33 +/- 0.63   0.003% *  0.4678% (0.95   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   60  16.82 +/- 0.49   0.001% *  0.2407% (0.49   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    PHE   60  21.27 +/- 0.79   0.000% *  0.1233% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 70.2:
    * O T HA    PHE   60 - HB2   PHE   60   3.02 +/- 0.03  99.910% * 99.2051% (1.00   4.00  70.18) = 100.000%  kept
          HB    THR   94 - HB2   PHE   60  10.98 +/- 0.37   0.044% *  0.1104% (0.22   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   60  12.31 +/- 0.25   0.022% *  0.1692% (0.34   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   60  13.73 +/- 0.29   0.011% *  0.3009% (0.61   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   PHE   60  14.56 +/- 0.34   0.008% *  0.0765% (0.15   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   60  16.11 +/- 0.27   0.004% *  0.1379% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 70.2:
    * O T HB3   PHE   60 - HB2   PHE   60   1.75 +/- 0.00  99.999% * 98.9080% (1.00   4.00  70.18) = 100.000%  kept
          QE    LYS+ 106 - HB2   PHE   60  14.66 +/- 0.62   0.000% *  0.4678% (0.95   0.02   0.02) =   0.000%
          HB2   PHE   97 - HB2   PHE   60  13.46 +/- 0.36   0.000% *  0.2602% (0.53   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   PHE   60  16.90 +/- 0.61   0.000% *  0.2407% (0.49   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB2   PHE   60  22.97 +/- 0.89   0.000% *  0.1233% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 70.2:
    * O T HA    PHE   60 - HB3   PHE   60   2.39 +/- 0.05  99.965% * 99.2051% (1.00   4.00  70.18) = 100.000%  kept
          HB    THR   94 - HB3   PHE   60   9.65 +/- 0.27   0.023% *  0.1104% (0.22   0.02   0.02) =   0.000%
          QB    SER  117 - HB3   PHE   60  12.96 +/- 0.23   0.004% *  0.3009% (0.61   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   PHE   60  13.05 +/- 0.36   0.004% *  0.1692% (0.34   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB3   PHE   60  15.26 +/- 0.36   0.001% *  0.1379% (0.28   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   PHE   60  14.48 +/- 0.36   0.002% *  0.0765% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 70.2:
    * O T HB2   PHE   60 - HB3   PHE   60   1.75 +/- 0.00 100.000% * 99.5069% (1.00   4.00  70.18) = 100.000%  kept
          HB2   TRP   87 - HB3   PHE   60  14.13 +/- 0.30   0.000% *  0.4931% (0.99   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 625 (2.97, 2.97, 40.02 ppm):
    1 diagonal assignment:
    *     HB3   PHE   60 - HB3   PHE   60  (1.00)  kept
 
    Peak 626 (3.74, 3.74, 54.57 ppm):
    1 diagonal assignment:
    *     HA    ALA   61 - HA    ALA   61  (1.00)  kept
 
    Peak 627 (1.43, 3.74, 54.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 18.0:
    * O T QB    ALA   61 - HA    ALA   61   2.14 +/- 0.01  99.898% * 93.9380% (1.00   2.21  18.03) =  99.999%  kept
          QG    LYS+  66 - HA    ALA   61   7.53 +/- 0.79   0.063% *  0.7091% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA   61   9.44 +/- 0.80   0.016% *  0.8193% (0.97   0.02   0.02) =   0.000%
        T QB    ALA  110 - HA    ALA   61  11.48 +/- 0.28   0.004% *  0.7837% (0.92   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA   61  12.33 +/- 0.53   0.003% *  0.7364% (0.87   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   61  10.59 +/- 0.42   0.007% *  0.2360% (0.28   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA   61  12.86 +/- 0.42   0.002% *  0.5492% (0.65   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA   61  11.71 +/- 0.67   0.004% *  0.1680% (0.20   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA   61  13.91 +/- 1.22   0.002% *  0.1680% (0.20   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   61  18.89 +/- 1.06   0.000% *  0.8031% (0.95   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   61  16.46 +/- 0.48   0.000% *  0.2620% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   61  19.31 +/- 1.08   0.000% *  0.3806% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   61  24.07 +/- 1.40   0.000% *  0.4466% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 628 (3.74, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 18.0:
    * O T HA    ALA   61 - QB    ALA   61   2.14 +/- 0.01  99.490% * 96.5610% (1.00   2.21  18.03) =  99.998%  kept
          HD3   PRO   58 - QB    ALA   61   5.52 +/- 0.16   0.344% *  0.3912% (0.45   0.02   0.75) =   0.001%
          HD3   PRO   58 - QB    ALA  110   6.33 +/- 0.19   0.151% *  0.2895% (0.33   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA   61  10.85 +/- 0.31   0.006% *  0.8255% (0.95   0.02   0.02) =   0.000%
        T HA    ALA   61 - QB    ALA  110  11.48 +/- 0.28   0.004% *  0.6458% (0.74   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   61  12.59 +/- 0.27   0.002% *  0.1943% (0.22   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA  110  13.11 +/- 0.28   0.002% *  0.1438% (0.16   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA  110  18.76 +/- 0.38   0.000% *  0.6109% (0.70   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   61  18.44 +/- 0.36   0.000% *  0.1943% (0.22   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA  110  18.78 +/- 0.43   0.000% *  0.1438% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 629 (1.43, 1.43, 17.92 ppm):
    2 diagonal assignments:
    *     QB    ALA   61 - QB    ALA   61  (1.00)  kept
          QB    ALA  110 - QB    ALA  110  (0.68)  kept
 
    Peak 630 (4.22, 4.22, 57.45 ppm):
    1 diagonal assignment:
    *     HA    ASP-  62 - HA    ASP-  62  (1.00)  kept
 
    Peak 631 (2.65, 4.22, 57.45 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 41.0:
    * O T HB2   ASP-  62 - HA    ASP-  62   2.74 +/- 0.22  99.998% * 99.6240% (1.00   3.00  41.03) = 100.000%  kept
          HB2   PRO   52 - HA    ASP-  62  16.51 +/- 0.38   0.002% *  0.3760% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.41 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   2.92 +/- 0.16  99.998% * 98.2309% (0.98   3.00  41.03) = 100.000%  kept
          HG3   MET   96 - HA    ASP-  62  18.16 +/- 0.35   0.002% *  0.5795% (0.87   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  62  25.97 +/- 1.63   0.000% *  0.4322% (0.65   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    ASP-  62  27.65 +/- 0.60   0.000% *  0.4322% (0.65   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  62  26.93 +/- 1.34   0.000% *  0.3252% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.35 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   2.74 +/- 0.22  99.987% * 98.8355% (1.00   3.00  41.03) = 100.000%  kept
          HA    SER  117 - HB2   ASP-  62  13.18 +/- 1.02   0.012% *  0.3730% (0.57   0.02   0.02) =   0.000%
          HB    THR   26 - HB2   ASP-  62  23.89 +/- 0.81   0.000% *  0.6082% (0.92   0.02   0.02) =   0.000%
          HA    SER   82 - HB2   ASP-  62  28.63 +/- 0.63   0.000% *  0.1832% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 634 (2.65, 2.65, 41.28 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  62 - HB2   ASP-  62  (1.00)  kept
 
    Peak 635 (2.45, 2.65, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB3   ASP-  62 - HB2   ASP-  62   1.75 +/- 0.00 100.000% * 98.2309% (0.98   3.00  41.03) = 100.000%  kept
          HG3   MET   96 - HB2   ASP-  62  17.59 +/- 0.95   0.000% *  0.5795% (0.87   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  62  27.27 +/- 1.89   0.000% *  0.4322% (0.65   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   ASP-  62  27.25 +/- 0.91   0.000% *  0.4322% (0.65   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  62  28.11 +/- 1.23   0.000% *  0.3252% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.53 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   2.92 +/- 0.16  99.983% * 98.8355% (0.98   3.00  41.03) = 100.000%  kept
          HA    SER  117 - HB3   ASP-  62  12.54 +/- 0.49   0.017% *  0.3730% (0.55   0.02   0.02) =   0.000%
          HB    THR   26 - HB3   ASP-  62  23.79 +/- 0.70   0.000% *  0.6082% (0.90   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   ASP-  62  28.46 +/- 0.52   0.000% *  0.1832% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 637 (2.65, 2.45, 41.28 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB2   ASP-  62 - HB3   ASP-  62   1.75 +/- 0.00 100.000% * 99.6240% (0.98   3.00  41.03) = 100.000%  kept
        T HB2   PRO   52 - HB3   ASP-  62  14.92 +/- 0.55   0.000% *  0.3760% (0.55   0.02   0.02) =   0.000%
    Distance limit 2.57 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 = 235.7:
    * O T HB2   LEU   63 - HA    LEU   63   2.97 +/- 0.05  99.733% * 97.4956% (1.00   6.28 235.72) =  99.999%  kept
          HB3   ASP-  44 - HA    LEU   63   8.72 +/- 0.49   0.168% *  0.3043% (0.98   0.02   0.02) =   0.001%
          QB    ALA  124 - HA    LEU   63  10.52 +/- 0.63   0.055% *  0.2784% (0.90   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   63  12.71 +/- 0.31   0.016% *  0.2008% (0.65   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   63  15.35 +/- 0.91   0.006% *  0.2486% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   63  15.65 +/- 0.51   0.005% *  0.1757% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   63  17.22 +/- 0.58   0.003% *  0.2593% (0.84   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   63  17.73 +/- 0.32   0.002% *  0.2132% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   63  14.62 +/- 0.64   0.007% *  0.0479% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LEU   63  20.49 +/- 0.58   0.001% *  0.2784% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   63  21.53 +/- 0.98   0.001% *  0.3043% (0.98   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   63  20.81 +/- 0.42   0.001% *  0.1392% (0.45   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   63  18.66 +/- 0.57   0.002% *  0.0544% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 235.7:
    * O T HB3   LEU   63 - HA    LEU   63   2.51 +/- 0.17  99.073% * 99.1436% (1.00   5.98 235.72) =  99.999%  kept
          QG1   VAL   70 - HA    LEU   63   6.65 +/- 0.36   0.333% *  0.1878% (0.57   0.02   0.02) =   0.001%
          QD1   LEU  123 - HA    LEU   63   6.15 +/- 0.42   0.538% *  0.1131% (0.34   0.02   0.02) =   0.001%
          QG1   VAL   18 - HA    LEU   63   9.21 +/- 0.35   0.047% *  0.2278% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU   63  12.51 +/- 0.52   0.008% *  0.1131% (0.34   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    LEU   63  15.49 +/- 0.33   0.002% *  0.2145% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 235.7:
    * O T HG    LEU   63 - HA    LEU   63   2.85 +/- 0.35  99.878% * 99.3739% (1.00   5.98 235.72) = 100.000%  kept
          QG1   VAL  107 - HA    LEU   63   9.18 +/- 0.49   0.113% *  0.0513% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    LEU   63  14.40 +/- 0.34   0.008% *  0.2540% (0.76   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LEU   63  20.39 +/- 0.42   0.001% *  0.3208% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 643 (0.58, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.611, support = 5.7, residual support = 235.7:
        T QD2   LEU   63 - HA    LEU   63   2.37 +/- 0.39  93.636% * 35.9478% (0.57   5.70 235.72) =  89.586%  kept
    *   T QD1   LEU   63 - HA    LEU   63   3.88 +/- 0.14   6.181% * 63.2998% (1.00   5.68 235.72) =  10.413%  kept
          QD2   LEU  115 - HA    LEU   63   7.29 +/- 0.76   0.168% *  0.1861% (0.84   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HA    LEU   63  11.61 +/- 0.95   0.009% *  0.1261% (0.57   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU   63  12.98 +/- 0.34   0.005% *  0.2228% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  18.46 +/- 0.87   0.001% *  0.1784% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   63  19.16 +/- 0.84   0.000% *  0.0390% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 644 (0.57, 3.50, 57.67 ppm):
    8 chemical-shift based assignments, quality = 0.964, support = 5.49, residual support = 227.3:
    *   T QD2   LEU   63 - HA    LEU   63   2.37 +/- 0.39  93.633% * 63.5699% (1.00   5.70 235.72) =  96.408%  kept
        T QD1   LEU   63 - HA    LEU   63   3.88 +/- 0.14   6.181% * 35.8799% (0.57   5.68 235.72) =   3.592%
          QD2   LEU  115 - HA    LEU   63   7.29 +/- 0.76   0.168% *  0.0556% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   63  11.68 +/- 0.29   0.008% *  0.1353% (0.61   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU   63  12.98 +/- 0.34   0.005% *  0.1263% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   98 - HA    LEU   63  13.01 +/- 1.03   0.005% *  0.0917% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    LEU   63  18.09 +/- 1.62   0.001% *  0.0917% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  18.46 +/- 0.87   0.001% *  0.0497% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 645 (3.50, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 235.7:
    * O T HA    LEU   63 - HB2   LEU   63   2.97 +/- 0.05  99.998% * 99.6385% (1.00   6.28 235.72) = 100.000%  kept
        T HB2   HIS   22 - HB2   LEU   63  20.20 +/- 0.60   0.001% *  0.2424% (0.76   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB2   LEU   63  20.17 +/- 0.59   0.001% *  0.1191% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 235.7:
    * O T HB3   LEU   63 - HB2   LEU   63   1.75 +/- 0.00  99.953% * 99.1887% (1.00   6.31 235.72) = 100.000%  kept
          QG1   VAL   18 - HB2   LEU   63   7.61 +/- 0.57   0.016% *  0.2158% (0.69   0.02   0.02) =   0.000%
          QG1   VAL   70 - HB2   LEU   63   7.59 +/- 0.45   0.017% *  0.1779% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   63   7.96 +/- 0.38   0.012% *  0.1072% (0.34   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU   63  12.12 +/- 0.78   0.001% *  0.1072% (0.34   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   63  13.68 +/- 0.26   0.000% *  0.2032% (0.65   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 235.7:
    * O T HG    LEU   63 - HB2   LEU   63   2.65 +/- 0.18  99.849% * 99.4069% (1.00   6.31 235.72) = 100.000%  kept
          QG1   VAL  107 - HB2   LEU   63   8.02 +/- 0.40   0.142% *  0.0486% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   LEU   63  12.99 +/- 0.50   0.008% *  0.2406% (0.76   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LEU   63  18.64 +/- 0.56   0.001% *  0.3039% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 0.955, support = 6.25, residual support = 235.7:
    * O T QD1   LEU   63 - HB2   LEU   63   2.25 +/- 0.16  82.790% * 63.3929% (1.00   6.25 235.72) =  89.552%  kept
      O T QD2   LEU   63 - HB2   LEU   63   3.07 +/- 0.29  17.045% * 35.9218% (0.57   6.25 235.72) =  10.448%  kept
          QD2   LEU  115 - HB2   LEU   63   6.62 +/- 0.73   0.155% *  0.1695% (0.84   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU   63  11.65 +/- 0.55   0.005% *  0.2029% (1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB2   LEU   63  11.89 +/- 0.81   0.004% *  0.1149% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  16.46 +/- 0.94   0.001% *  0.1625% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   63  17.23 +/- 0.94   0.000% *  0.0355% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.682, support = 6.25, residual support = 235.7:
      O T QD1   LEU   63 - HB2   LEU   63   2.25 +/- 0.16  82.782% * 35.9478% (0.57   6.25 235.72) =  73.315%  kept
    * O T QD2   LEU   63 - HB2   LEU   63   3.07 +/- 0.29  17.043% * 63.5508% (1.00   6.25 235.72) =  26.685%  kept
          QD2   LEU  115 - HB2   LEU   63   6.62 +/- 0.73   0.155% *  0.0507% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   LEU   63  10.63 +/- 0.47   0.008% *  0.1233% (0.61   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU   63  11.65 +/- 0.55   0.005% *  0.1151% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   LEU   63  11.86 +/- 1.15   0.005% *  0.0836% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   LEU   63  16.03 +/- 1.69   0.001% *  0.0836% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  16.46 +/- 0.94   0.001% *  0.0452% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 235.7:
    * O T HA    LEU   63 - HB3   LEU   63   2.51 +/- 0.17  99.999% * 99.6203% (1.00   5.98 235.72) = 100.000%  kept
          HB2   HIS   22 - HB3   LEU   63  20.94 +/- 0.89   0.000% *  0.2547% (0.76   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   LEU   63  19.05 +/- 0.91   0.001% *  0.1251% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 235.7:
    * O T HB2   LEU   63 - HB3   LEU   63   1.75 +/- 0.00  99.956% * 97.5083% (1.00   6.31 235.72) = 100.000%  kept
          HB3   ASP-  44 - HB3   LEU   63   6.74 +/- 0.71   0.039% *  0.3027% (0.98   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   63  11.08 +/- 0.39   0.002% *  0.1998% (0.65   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   63  11.89 +/- 0.68   0.001% *  0.2770% (0.90   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LEU   63  13.33 +/- 1.14   0.001% *  0.2473% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   63  14.52 +/- 0.79   0.000% *  0.1749% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   63  15.83 +/- 0.60   0.000% *  0.2580% (0.84   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   63  15.88 +/- 0.59   0.000% *  0.2122% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LEU   63  12.71 +/- 0.66   0.001% *  0.0477% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LEU   63  18.61 +/- 1.11   0.000% *  0.2770% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   63  19.45 +/- 1.23   0.000% *  0.3027% (0.98   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   63  16.77 +/- 0.64   0.000% *  0.0541% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   63  19.78 +/- 0.86   0.000% *  0.1385% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 235.7:
    * O T HG    LEU   63 - HB3   LEU   63   2.94 +/- 0.17  99.693% * 99.3761% (1.00   6.00 235.72) = 100.000%  kept
          QG1   VAL  107 - HB3   LEU   63   7.95 +/- 0.47   0.295% *  0.0511% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU   63  13.98 +/- 0.79   0.010% *  0.2532% (0.76   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   LEU   63  18.63 +/- 0.85   0.002% *  0.3197% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 0.824, support = 5.95, residual support = 235.7:
    * O T QD1   LEU   63 - HB3   LEU   63   2.47 +/- 0.16  45.333% * 63.3736% (1.00   5.95 235.72) =  59.465%  kept
      O T QD2   LEU   63 - HB3   LEU   63   2.43 +/- 0.34  54.540% * 35.9066% (0.57   5.95 235.72) =  40.534%  kept
          QD2   LEU  115 - HB3   LEU   63   7.04 +/- 0.95   0.114% *  0.1780% (0.84   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU   63  11.49 +/- 0.90   0.005% *  0.2131% (1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   63  10.64 +/- 0.93   0.008% *  0.1207% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  16.77 +/- 1.05   0.000% *  0.1707% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   63  17.33 +/- 1.12   0.000% *  0.0373% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.861, support = 5.95, residual support = 235.7:
    * O T QD2   LEU   63 - HB3   LEU   63   2.43 +/- 0.34  54.536% * 63.5319% (1.00   5.95 235.72) =  68.017%  kept
      O T QD1   LEU   63 - HB3   LEU   63   2.47 +/- 0.16  45.329% * 35.9414% (0.57   5.95 235.72) =  31.983%  kept
          QD2   LEU  115 - HB3   LEU   63   7.04 +/- 0.95   0.114% *  0.0532% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   63  10.06 +/- 0.82   0.010% *  0.1295% (0.61   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU   63  11.49 +/- 0.90   0.005% *  0.1209% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   63  11.24 +/- 1.26   0.006% *  0.0878% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   63  16.41 +/- 1.86   0.001% *  0.0878% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  16.77 +/- 1.05   0.000% *  0.0475% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 235.7:
    * O T HA    LEU   63 - HG    LEU   63   2.85 +/- 0.35  99.998% * 99.6203% (1.00   5.98 235.72) = 100.000%  kept
          HB2   HIS   22 - HG    LEU   63  21.73 +/- 1.14   0.001% *  0.2547% (0.76   0.02   0.02) =   0.000%
          HA2   GLY  101 - HG    LEU   63  20.17 +/- 1.01   0.001% *  0.1251% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.57 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 = 235.7:
    * O T HB2   LEU   63 - HG    LEU   63   2.65 +/- 0.18  99.596% * 97.5083% (1.00   6.31 235.72) =  99.999%  kept
          HB3   ASP-  44 - HG    LEU   63   7.16 +/- 0.90   0.337% *  0.3027% (0.98   0.02   0.02) =   0.001%
          QB    ALA  124 - HG    LEU   63  11.70 +/- 0.93   0.020% *  0.2770% (0.90   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   63  10.74 +/- 0.57   0.023% *  0.1998% (0.65   0.02   0.02) =   0.000%
          HG    LEU   98 - HG    LEU   63  14.36 +/- 1.29   0.005% *  0.2473% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   63  15.12 +/- 1.03   0.003% *  0.2580% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   63  15.72 +/- 1.12   0.003% *  0.1749% (0.57   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   63  16.29 +/- 0.58   0.002% *  0.2122% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG    LEU   63  13.02 +/- 0.70   0.008% *  0.0477% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG    LEU   63  19.91 +/- 1.36   0.001% *  0.2770% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   63  20.21 +/- 1.42   0.001% *  0.3027% (0.98   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   63  16.99 +/- 0.57   0.002% *  0.0541% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   63  21.12 +/- 1.22   0.000% *  0.1385% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 235.7:
    * O T HB3   LEU   63 - HG    LEU   63   2.94 +/- 0.17  98.255% * 99.1466% (1.00   6.00 235.72) =  99.997%  kept
          QG1   VAL   70 - HG    LEU   63   7.46 +/- 1.08   0.642% *  0.1871% (0.57   0.02   0.02) =   0.001%
          QD1   LEU  123 - HG    LEU   63   6.81 +/- 1.08   0.899% *  0.1127% (0.34   0.02   0.02) =   0.001%
          QG1   VAL   18 - HG    LEU   63   8.95 +/- 0.90   0.175% *  0.2270% (0.69   0.02   0.02) =   0.000%
          QG1   VAL  108 - HG    LEU   63  13.67 +/- 0.49   0.011% *  0.2138% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU   63  12.86 +/- 1.18   0.018% *  0.1127% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 0.852, support = 5.57, residual support = 235.7:
    * O T QD1   LEU   63 - HG    LEU   63   2.10 +/- 0.02  50.827% * 64.4664% (1.00   5.66 235.72) =  65.824%  kept
      O T QD2   LEU   63 - HG    LEU   63   2.12 +/- 0.02  48.935% * 34.7646% (0.57   5.39 235.72) =  34.175%  kept
          QD2   LEU  115 - HG    LEU   63   5.99 +/- 1.49   0.234% *  0.1902% (0.84   0.02   0.02) =   0.001%
        T QD1   LEU   73 - HG    LEU   63  12.55 +/- 1.14   0.001% *  0.2277% (1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HG    LEU   63  11.42 +/- 0.88   0.002% *  0.1289% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  17.51 +/- 1.33   0.000% *  0.1823% (0.80   0.02   0.02) =   0.000%
        T QG1   VAL   83 - HG    LEU   63  18.09 +/- 1.03   0.000% *  0.0399% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.69 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 = 0.834, support = 5.5, residual support = 235.7:
    * O T QD2   LEU   63 - HG    LEU   63   2.12 +/- 0.02  48.934% * 62.3624% (1.00   5.39 235.72) =  61.829%  kept
      O T QD1   LEU   63 - HG    LEU   63   2.10 +/- 0.02  50.826% * 37.0671% (0.57   5.66 235.72) =  38.171%  kept
          QD2   LEU  115 - HG    LEU   63   5.99 +/- 1.49   0.234% *  0.0577% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   41 - HG    LEU   63  11.16 +/- 1.04   0.003% *  0.1403% (0.61   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU   63  12.55 +/- 1.14   0.001% *  0.1309% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   98 - HG    LEU   63  12.15 +/- 1.22   0.002% *  0.0951% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HG    LEU   63  17.12 +/- 1.55   0.000% *  0.0951% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  17.51 +/- 1.33   0.000% *  0.0515% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 663 (3.50, 0.58, 26.34 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.68, residual support = 235.7:
    *   T HA    LEU   63 - QD1   LEU   63   3.88 +/- 0.14  96.786% * 98.6792% (1.00   5.68 235.72) =  99.997%  kept
          HB2   HIS   22 - QD1   LEU   73   9.56 +/- 0.26   0.444% *  0.2654% (0.76   0.02   0.02) =   0.001%
          HA2   GLY  101 - QD1   LEU  104   7.64 +/- 0.88   2.315% *  0.0319% (0.09   0.02   0.02) =   0.001%
          HA2   GLY  101 - QD1   LEU   73  11.26 +/- 1.12   0.192% *  0.1304% (0.38   0.02   0.02) =   0.000%
        T HA    LEU   63 - QD1   LEU   73  12.98 +/- 0.34   0.070% *  0.3473% (1.00   0.02   0.02) =   0.000%
        T HA    LEU   63 - QD1   LEU  104  11.61 +/- 0.95   0.152% *  0.0850% (0.24   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU   63  17.12 +/- 0.68   0.014% *  0.2654% (0.76   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU   63  15.69 +/- 0.45   0.023% *  0.1304% (0.38   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU  104  21.69 +/- 0.56   0.003% *  0.0650% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 664 (1.34, 0.58, 26.34 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.25, residual support = 235.7:
    * O T HB2   LEU   63 - QD1   LEU   63   2.25 +/- 0.16  92.260% * 94.1661% (1.00   6.25 235.72) =  99.988%  kept
          HB3   ASP-  44 - QD1   LEU   63   4.43 +/- 0.67   2.083% *  0.2954% (0.98   0.02   0.02) =   0.007%
          HG2   LYS+  99 - QD1   LEU  104   3.90 +/- 0.40   4.354% *  0.0418% (0.14   0.02  17.69) =   0.002%
          HB2   LEU   31 - QD1   LEU   73   5.54 +/- 0.55   0.564% *  0.2703% (0.90   0.02   1.38) =   0.002%
          HG    LEU   98 - QD1   LEU  104   6.35 +/- 0.88   0.322% *  0.0591% (0.20   0.02   7.79) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   7.43 +/- 0.40   0.074% *  0.1950% (0.65   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   73   8.48 +/- 1.01   0.050% *  0.2414% (0.80   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU   73   8.31 +/- 0.50   0.038% *  0.2954% (0.98   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU   73   9.06 +/- 0.33   0.024% *  0.2954% (0.98   0.02   2.46) =   0.000%
          QB    ALA   84 - QD1   LEU   73   8.90 +/- 0.27   0.026% *  0.2070% (0.69   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63  10.55 +/- 0.94   0.011% *  0.2414% (0.80   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  10.79 +/- 0.58   0.009% *  0.2703% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   63  11.10 +/- 0.58   0.007% *  0.2518% (0.84   0.02   0.02) =   0.000%
        T HB2   LEU   63 - QD1   LEU   73  11.65 +/- 0.55   0.006% *  0.3014% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   73  10.94 +/- 0.46   0.008% *  0.1706% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63   9.16 +/- 0.57   0.024% *  0.0465% (0.15   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  12.14 +/- 0.35   0.004% *  0.2070% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.78 +/- 0.52   0.068% *  0.0114% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU  104   9.30 +/- 0.50   0.020% *  0.0331% (0.11   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   63  12.55 +/- 0.55   0.003% *  0.1706% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   73  12.01 +/- 0.33   0.004% *  0.1351% (0.45   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  13.20 +/- 0.42   0.002% *  0.1950% (0.65   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  11.48 +/- 1.10   0.006% *  0.0662% (0.22   0.02   0.02) =   0.000%
        T HB2   LEU   63 - QD1   LEU  104  11.89 +/- 0.81   0.005% *  0.0738% (0.24   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU   63  15.40 +/- 0.99   0.001% *  0.2954% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU   63  15.48 +/- 0.65   0.001% *  0.2703% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU  104  12.47 +/- 0.72   0.004% *  0.0662% (0.22   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   73  12.00 +/- 0.32   0.004% *  0.0528% (0.18   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU  104  12.73 +/- 0.73   0.003% *  0.0723% (0.24   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   63  12.54 +/- 0.46   0.003% *  0.0528% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  12.72 +/- 0.92   0.003% *  0.0465% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  17.84 +/- 0.62   0.000% *  0.2703% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   73  18.71 +/- 0.38   0.000% *  0.2518% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   63  17.18 +/- 0.49   0.000% *  0.1351% (0.45   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  15.16 +/- 0.55   0.001% *  0.0507% (0.17   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU  104  16.81 +/- 0.45   0.001% *  0.0616% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  16.10 +/- 0.43   0.001% *  0.0477% (0.16   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU  104  13.67 +/- 0.89   0.002% *  0.0129% (0.04   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU  104  18.61 +/- 1.01   0.000% *  0.0723% (0.24   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 665 (0.88, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.95, residual support = 235.7:
    * O T HB3   LEU   63 - QD1   LEU   63   2.47 +/- 0.16  93.352% * 97.6867% (1.00   5.95 235.72) =  99.991%  kept
          QD1   LEU   71 - QD1   LEU   73   4.23 +/- 0.32   4.287% *  0.1121% (0.34   0.02   0.02) =   0.005%
          QG1   VAL   18 - QD1   LEU   73   5.60 +/- 0.25   0.748% *  0.2257% (0.69   0.02   0.02) =   0.002%
          QG1   VAL   70 - QD1   LEU   63   6.51 +/- 0.50   0.365% *  0.1860% (0.57   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD1   LEU   63   7.08 +/- 0.50   0.233% *  0.2257% (0.69   0.02   0.02) =   0.001%
          QD1   LEU  123 - QD1   LEU   63   6.64 +/- 0.57   0.278% *  0.1121% (0.34   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU  104   6.11 +/- 0.82   0.563% *  0.0455% (0.14   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   8.63 +/- 0.17   0.055% *  0.1860% (0.57   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   63   9.90 +/- 0.29   0.024% *  0.2125% (0.65   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU   73  11.49 +/- 0.90   0.010% *  0.3285% (1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   63  10.56 +/- 0.59   0.019% *  0.1121% (0.34   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104  10.64 +/- 0.93   0.017% *  0.0804% (0.24   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   73  14.03 +/- 0.65   0.003% *  0.2125% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104  10.51 +/- 0.59   0.018% *  0.0274% (0.08   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104  10.82 +/- 0.87   0.016% *  0.0274% (0.08   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  12.48 +/- 0.65   0.006% *  0.0552% (0.17   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU  104  13.44 +/- 0.36   0.004% *  0.0520% (0.16   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  15.42 +/- 0.42   0.002% *  0.1121% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 666 (1.06, 0.58, 26.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 235.7:
    * O T HG    LEU   63 - QD1   LEU   63   2.10 +/- 0.02  99.121% * 98.1035% (1.00   5.66 235.72) =  99.999%  kept
        T QG1   VAL  107 - QD1   LEU   63   4.92 +/- 0.55   0.759% *  0.0535% (0.15   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QD1   LEU   73   6.82 +/- 0.23   0.087% *  0.3344% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63  10.01 +/- 0.53   0.009% *  0.2648% (0.76   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU   73  12.55 +/- 1.14   0.003% *  0.3465% (1.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  11.42 +/- 0.88   0.005% *  0.0848% (0.24   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QD1   LEU   63  15.09 +/- 0.54   0.001% *  0.3344% (0.97   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU  104   9.40 +/- 0.23   0.013% *  0.0131% (0.04   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU   73  12.44 +/- 0.28   0.002% *  0.0535% (0.15   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QD1   LEU  104  14.84 +/- 0.60   0.001% *  0.0819% (0.24   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  20.06 +/- 0.39   0.000% *  0.2648% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  19.22 +/- 0.41   0.000% *  0.0648% (0.19   0.02   0.02) =   0.000%
    Distance limit 2.63 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 = 5.7, residual support = 235.7:
    *   T HA    LEU   63 - QD2   LEU   63   2.37 +/- 0.39  99.997% * 99.6017% (1.00   5.70 235.72) = 100.000%  kept
          HA2   GLY  101 - QD2   LEU   63  15.91 +/- 0.99   0.002% *  0.1312% (0.38   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD2   LEU   63  18.82 +/- 0.64   0.001% *  0.2671% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 670 (1.34, 0.57, 23.00 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.25, residual support = 235.7:
    * O T HB2   LEU   63 - QD2   LEU   63   3.07 +/- 0.29  98.224% * 97.4848% (1.00   6.25 235.72) =  99.995%  kept
          HB3   ASP-  44 - QD2   LEU   63   6.58 +/- 0.49   1.210% *  0.3056% (0.98   0.02   0.02) =   0.004%
          QB    ALA  124 - QD2   LEU   63   9.01 +/- 0.48   0.186% *  0.2796% (0.90   0.02   0.02) =   0.001%
          HB3   PRO   93 - QD2   LEU   63   9.61 +/- 0.63   0.107% *  0.2017% (0.65   0.02   0.02) =   0.000%
          HG    LEU   98 - QD2   LEU   63  11.19 +/- 1.24   0.063% *  0.2496% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD2   LEU   63  12.03 +/- 1.18   0.038% *  0.1765% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   63  12.54 +/- 0.72   0.024% *  0.2604% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   63   9.99 +/- 0.75   0.110% *  0.0481% (0.15   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   63  13.85 +/- 0.42   0.013% *  0.2142% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD2   LEU   63  16.27 +/- 1.05   0.006% *  0.2796% (0.90   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD2   LEU   63  17.29 +/- 0.93   0.004% *  0.3056% (0.98   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD2   LEU   63  16.73 +/- 1.17   0.005% *  0.1398% (0.45   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   63  14.06 +/- 0.43   0.012% *  0.0546% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 671 (0.88, 0.57, 23.00 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.95, residual support = 235.7:
    * O T HB3   LEU   63 - QD2   LEU   63   2.43 +/- 0.34  96.946% * 99.1397% (1.00   5.95 235.72) =  99.995%  kept
          QD1   LEU  123 - QD2   LEU   63   5.10 +/- 0.63   1.952% *  0.1136% (0.34   0.02   0.02) =   0.002%
          QG1   VAL   70 - QD2   LEU   63   5.49 +/- 1.07   0.964% *  0.1886% (0.57   0.02   0.02) =   0.002%
          QG1   VAL   18 - QD2   LEU   63   8.14 +/- 0.44   0.107% *  0.2289% (0.69   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU   63  11.32 +/- 0.37   0.015% *  0.2155% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU   63  10.67 +/- 0.82   0.015% *  0.1136% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 672 (1.06, 0.57, 23.00 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.39, residual support = 235.7:
    * O T HG    LEU   63 - QD2   LEU   63   2.12 +/- 0.02  99.744% * 99.3064% (1.00   5.39 235.72) = 100.000%  kept
        T QG1   VAL  107 - QD2   LEU   63   5.86 +/- 0.47   0.249% *  0.0568% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD2   LEU   63  11.15 +/- 1.04   0.006% *  0.2814% (0.76   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QD2   LEU   63  16.31 +/- 0.70   0.000% *  0.3554% (0.97   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 673 (0.58, 0.57, 23.00 ppm):
    1 diagonal assignment:
          QD2   LEU   63 - QD2   LEU   63  (0.57)  kept
    Reference assignment not found: QD1   LEU   63 - QD2   LEU   63
 
    Peak 674 (0.57, 0.57, 23.00 ppm):
    1 diagonal assignment:
    *     QD2   LEU   63 - QD2   LEU   63  (1.00)  kept
 
    Peak 675 (2.84, 2.84, 53.98 ppm):
    1 diagonal assignment:
    *     HA    ALA   64 - HA    ALA   64  (1.00)  kept
 
    Peak 676 (0.40, 2.84, 53.98 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 20.8:
    * O T QB    ALA   64 - HA    ALA   64   2.13 +/- 0.01  99.999% * 99.8252% (1.00   2.00  20.77) = 100.000%  kept
          QB    ALA   47 - HA    ALA   64  15.84 +/- 0.39   0.001% *  0.1748% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 0.961, support = 2.04, residual support = 22.0:
    * O T HA    ALA   64 - QB    ALA   64   2.13 +/- 0.01  87.910% * 67.2471% (1.00   2.00  20.77) =  93.760%  kept
        T HB2   PHE   72 - QB    ALA   64   3.07 +/- 0.33  12.089% * 32.5454% (0.38   2.58  40.06) =   6.240%  kept
          HB3   ASN   35 - QB    ALA   64  16.60 +/- 0.34   0.000% *  0.2076% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 678 (0.40, 0.40, 18.57 ppm):
    1 diagonal assignment:
    *     QB    ALA   64 - QB    ALA   64  (1.00)  kept
 
    Peak 679 (3.96, 3.96, 58.29 ppm):
    2 diagonal assignments:
    *     HA    LYS+  65 - HA    LYS+  65  (0.85)  kept
          HA    LYS+ 121 - HA    LYS+ 121  (0.06)  kept
 
    Peak 680 (1.80, 3.96, 58.29 ppm):
    16 chemical-shift based assignments, quality = 0.923, support = 6.3, residual support = 161.2:
    * O T QB    LYS+  65 - HA    LYS+  65   2.45 +/- 0.09  98.878% * 98.3618% (0.92   6.30 161.19) =  99.998%  kept
          QB    LYS+  66 - HA    LYS+  65   5.38 +/- 0.10   0.904% *  0.1769% (0.52   0.02  26.31) =   0.002%
          HB3   GLN   17 - HA    LYS+  65   7.52 +/- 0.73   0.150% *  0.1895% (0.56   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+  65  11.80 +/- 0.39   0.008% *  0.3117% (0.92   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 121   8.90 +/- 0.60   0.047% *  0.0200% (0.06   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  65  18.06 +/- 0.54   0.001% *  0.2609% (0.77   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  65  15.87 +/- 0.57   0.001% *  0.1172% (0.35   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HA    LYS+ 121  13.74 +/- 0.51   0.003% *  0.0353% (0.10   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  65  20.72 +/- 0.50   0.000% *  0.3062% (0.90   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+ 121  14.56 +/- 0.46   0.002% *  0.0346% (0.10   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  65  21.14 +/- 0.69   0.000% *  0.0779% (0.23   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 121  18.52 +/- 0.47   0.001% *  0.0352% (0.10   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 121  18.57 +/- 0.36   0.001% *  0.0294% (0.09   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+ 121  16.37 +/- 0.81   0.001% *  0.0132% (0.04   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+ 121  16.28 +/- 0.47   0.001% *  0.0088% (0.03   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 121  22.05 +/- 0.51   0.000% *  0.0214% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 0.852, support = 4.87, residual support = 148.7:
    * O T HG2   LYS+  65 - HA    LYS+  65   2.99 +/- 0.74  42.000% * 82.4273% (0.92   5.27 161.19) =  92.264%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.82 +/- 0.09  47.432% *  3.6009% (0.03   8.19 312.15) =   4.552%
        T HD2   LYS+ 121 - HA    LYS+ 121   3.80 +/- 0.55   9.634% * 12.3824% (0.10   7.08 312.15) =   3.179%
        T QD    LYS+  66 - HA    LYS+  65   5.86 +/- 0.50   0.860% *  0.2269% (0.67   0.02  26.31) =   0.005%
          HB2   LYS+  74 - HA    LYS+  65  12.38 +/- 0.26   0.007% *  0.2610% (0.77   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HA    LYS+ 121  10.04 +/- 0.72   0.029% *  0.0256% (0.08   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.54 +/- 0.60   0.002% *  0.3098% (0.91   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  12.79 +/- 0.88   0.007% *  0.0696% (0.21   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  16.37 +/- 1.17   0.001% *  0.3098% (0.91   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  14.93 +/- 0.68   0.003% *  0.0779% (0.23   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  13.69 +/- 1.00   0.004% *  0.0482% (0.14   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  11.94 +/- 0.33   0.009% *  0.0088% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  12.16 +/- 0.56   0.008% *  0.0079% (0.02   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.08 +/- 0.67   0.001% *  0.0779% (0.23   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  16.99 +/- 1.03   0.001% *  0.0353% (0.10   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.73 +/- 0.39   0.000% *  0.0547% (0.16   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  15.13 +/- 0.32   0.002% *  0.0062% (0.02   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.86 +/- 0.62   0.000% *  0.0295% (0.09   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.64 +/- 0.54   0.000% *  0.0350% (0.10   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  22.27 +/- 0.84   0.000% *  0.0054% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 5 structures by 0.05 A, kept.
 
    Peak 683 (1.38, 3.96, 58.29 ppm):
    28 chemical-shift based assignments, quality = 0.919, support = 5.25, residual support = 160.5:
    * O T HG3   LYS+  65 - HA    LYS+  65   2.75 +/- 0.49  86.259% * 94.0791% (0.92   5.27 161.19) =  99.557%  kept
        T HD3   LYS+ 121 - HA    LYS+ 121   4.28 +/- 0.51  13.624% *  2.6511% (0.02   6.66 312.15) =   0.443%
          HB    VAL   42 - HA    LYS+  65  10.11 +/- 0.37   0.046% *  0.3567% (0.92   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  14.75 +/- 1.87   0.008% *  0.2590% (0.67   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  14.36 +/- 0.49   0.006% *  0.3536% (0.91   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  17.92 +/- 0.90   0.001% *  0.3536% (0.91   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  14.07 +/- 0.26   0.006% *  0.0794% (0.21   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+ 121  12.63 +/- 0.59   0.012% *  0.0349% (0.09   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.55 +/- 0.23   0.002% *  0.1599% (0.41   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  13.20 +/- 0.45   0.009% *  0.0403% (0.10   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  65  16.50 +/- 0.43   0.002% *  0.1101% (0.28   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  65  19.86 +/- 0.76   0.001% *  0.3094% (0.80   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  65  20.35 +/- 0.36   0.001% *  0.3374% (0.87   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  16.29 +/- 0.78   0.003% *  0.0706% (0.18   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 121  16.06 +/- 0.19   0.003% *  0.0381% (0.10   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  14.42 +/- 0.37   0.005% *  0.0180% (0.05   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+ 121  17.37 +/- 1.58   0.002% *  0.0395% (0.10   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  65  19.60 +/- 0.29   0.001% *  0.0992% (0.26   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  65  18.74 +/- 0.81   0.001% *  0.0706% (0.18   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+  65  24.51 +/- 0.78   0.000% *  0.3496% (0.90   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  17.11 +/- 0.90   0.002% *  0.0403% (0.10   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.84 +/- 0.87   0.001% *  0.0399% (0.10   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 121  15.74 +/- 0.79   0.003% *  0.0080% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 121  17.79 +/- 0.29   0.001% *  0.0124% (0.03   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  23.59 +/- 1.09   0.000% *  0.0399% (0.10   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  25.38 +/- 1.75   0.000% *  0.0292% (0.08   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 121  21.52 +/- 0.35   0.000% *  0.0112% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  23.29 +/- 0.58   0.000% *  0.0090% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 684 (1.66, 3.96, 58.29 ppm):
    22 chemical-shift based assignments, quality = 0.758, support = 5.47, residual support = 191.6:
    *   T QD    LYS+  65 - HA    LYS+  65   3.05 +/- 0.43  42.903% * 81.7591% (0.92   4.75 161.19) =  79.824%  kept
      O T HB2   LYS+ 121 - HA    LYS+ 121   2.88 +/- 0.09  54.879% * 16.1550% (0.10   8.33 312.15) =  20.176%  kept
        T HB2   LEU  123 - HA    LYS+ 121   4.92 +/- 0.06   2.175% *  0.0133% (0.04   0.02   2.34) =   0.001%
          QB    ALA   57 - HA    LYS+  65  11.05 +/- 0.16   0.017% *  0.0958% (0.26   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  13.41 +/- 1.82   0.007% *  0.1950% (0.52   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HA    LYS+  65  14.67 +/- 0.79   0.003% *  0.3436% (0.92   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  14.77 +/- 0.71   0.003% *  0.1175% (0.31   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  19.46 +/- 0.72   0.001% *  0.3179% (0.85   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  18.03 +/- 0.51   0.001% *  0.1293% (0.35   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 121  15.98 +/- 0.67   0.002% *  0.0389% (0.10   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  23.37 +/- 0.65   0.000% *  0.3413% (0.91   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 121  15.52 +/- 1.45   0.003% *  0.0220% (0.06   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  22.30 +/- 0.89   0.000% *  0.1950% (0.52   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  18.75 +/- 0.70   0.001% *  0.0359% (0.10   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  17.00 +/- 0.15   0.001% *  0.0108% (0.03   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  24.21 +/- 0.45   0.000% *  0.0859% (0.23   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  17.09 +/- 0.53   0.001% *  0.0097% (0.03   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  65  23.29 +/- 0.47   0.000% *  0.0531% (0.14   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 121  16.53 +/- 0.52   0.002% *  0.0060% (0.02   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  19.88 +/- 0.33   0.001% *  0.0146% (0.04   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  21.93 +/- 1.22   0.000% *  0.0220% (0.06   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  26.43 +/- 0.84   0.000% *  0.0385% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.93, 3.96, 58.29 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 161.2:
    *   T QE    LYS+  65 - HA    LYS+  65   3.99 +/- 0.51  99.922% * 98.2190% (0.92   4.75 161.19) = 100.000%  kept
        T QE    LYS+  33 - HA    LYS+  65  16.18 +/- 1.76   0.033% *  0.3710% (0.83   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    LYS+  65  21.75 +/- 0.87   0.005% *  0.2509% (0.56   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    LYS+ 121  16.74 +/- 0.89   0.023% *  0.0467% (0.10   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LYS+  65  24.05 +/- 0.43   0.003% *  0.3993% (0.89   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  65  25.96 +/- 0.51   0.002% *  0.3819% (0.85   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  65  23.77 +/- 0.37   0.003% *  0.1553% (0.35   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    LYS+ 121  22.33 +/- 1.57   0.004% *  0.0419% (0.09   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 121  22.98 +/- 0.45   0.003% *  0.0283% (0.06   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+ 121  25.98 +/- 0.58   0.002% *  0.0431% (0.10   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LYS+ 121  28.58 +/- 0.54   0.001% *  0.0451% (0.10   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+ 121  30.20 +/- 0.51   0.001% *  0.0175% (0.04   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 = 6.3, residual support = 161.2:
    * O T HA    LYS+  65 - QB    LYS+  65   2.45 +/- 0.09  99.869% * 97.8772% (0.92   6.30 161.19) = 100.000%  kept
          HA2   GLY   16 - QB    LYS+  65   7.76 +/- 0.60   0.116% *  0.3250% (0.97   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  65  12.20 +/- 0.56   0.007% *  0.3186% (0.95   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QB    LYS+  65  13.74 +/- 0.51   0.003% *  0.1907% (0.57   0.02   0.02) =   0.000%
          HB    THR   94 - QB    LYS+  65  17.11 +/- 0.23   0.001% *  0.2178% (0.65   0.02   0.02) =   0.000%
          QB    SER  117 - QB    LYS+  65  14.90 +/- 0.39   0.002% *  0.0840% (0.25   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    LYS+  65  18.10 +/- 0.17   0.001% *  0.1639% (0.49   0.02   0.02) =   0.000%
          QB    SER   48 - QB    LYS+  65  19.64 +/- 0.37   0.000% *  0.2574% (0.76   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    LYS+  65  17.62 +/- 0.18   0.001% *  0.1149% (0.34   0.02   0.02) =   0.000%
          QB    SER   85 - QB    LYS+  65  23.25 +/- 0.24   0.000% *  0.3250% (0.97   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    LYS+  65  21.98 +/- 0.50   0.000% *  0.0666% (0.20   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  65  24.36 +/- 0.33   0.000% *  0.0590% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 1.0, support = 5.59, residual support = 161.2:
    * O T HG2   LYS+  65 - QB    LYS+  65   2.34 +/- 0.18  94.564% * 98.3830% (1.00   5.59 161.19) =  99.985%  kept
        T QD    LYS+  66 - QB    LYS+  65   4.35 +/- 0.72   5.413% *  0.2556% (0.73   0.02  26.31) =   0.015%
          HB2   LYS+  74 - QB    LYS+  65  11.90 +/- 0.37   0.006% *  0.2940% (0.84   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QB    LYS+  65  14.50 +/- 0.92   0.002% *  0.3488% (0.99   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  65  15.26 +/- 0.55   0.001% *  0.3488% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  65  13.00 +/- 0.56   0.003% *  0.0878% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   40 - QB    LYS+  65  12.88 +/- 0.68   0.004% *  0.0784% (0.22   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  65  12.42 +/- 0.90   0.005% *  0.0543% (0.15   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  65  17.16 +/- 0.55   0.001% *  0.0878% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  65  17.54 +/- 0.38   0.001% *  0.0616% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 5.07, residual support = 161.2:
    * O T QD    LYS+  65 - QB    LYS+  65   2.15 +/- 0.18  99.963% * 97.8975% (1.00   5.07 161.19) = 100.000%  kept
          QB    ALA   57 - QB    LYS+  65   8.69 +/- 0.14   0.026% *  0.1074% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+  65  12.81 +/- 0.65   0.003% *  0.3855% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QB    LYS+  65  12.41 +/- 1.63   0.004% *  0.2187% (0.57   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+  65  12.31 +/- 0.67   0.003% *  0.1318% (0.34   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+  65  15.13 +/- 0.36   0.001% *  0.1450% (0.38   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QB    LYS+  65  19.06 +/- 0.55   0.000% *  0.3566% (0.92   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+  65  21.77 +/- 0.54   0.000% *  0.3829% (0.99   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QB    LYS+  65  20.78 +/- 0.88   0.000% *  0.2187% (0.57   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  65  20.53 +/- 0.46   0.000% *  0.0963% (0.25   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+  65  19.60 +/- 0.44   0.000% *  0.0596% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 5.07, residual support = 161.2:
    *   T QE    LYS+  65 - QB    LYS+  65   3.04 +/- 0.66  99.987% * 98.5353% (1.00   5.07 161.19) = 100.000%  kept
        T QE    LYS+  33 - QB    LYS+  65  16.37 +/- 1.53   0.008% *  0.3487% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+  65  21.28 +/- 0.76   0.001% *  0.2358% (0.61   0.02   0.02) =   0.000%
          HB2   ASN   28 - QB    LYS+  65  23.11 +/- 0.40   0.001% *  0.3752% (0.97   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  65  24.00 +/- 0.42   0.001% *  0.3589% (0.92   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  65  21.42 +/- 0.31   0.001% *  0.1459% (0.38   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 = 161.2:
    * O T HA    LYS+  65 - HG2   LYS+  65   2.99 +/- 0.74  99.689% * 97.4762% (0.92   5.27 161.19) =  99.999%  kept
          HA2   GLY   16 - HG2   LYS+  65   8.18 +/- 1.56   0.271% *  0.3864% (0.97   0.02   0.02) =   0.001%
        T HA    ALA  120 - HG2   LYS+  65  15.40 +/- 1.28   0.017% *  0.3787% (0.95   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG2   LYS+  65  16.99 +/- 1.03   0.008% *  0.2267% (0.57   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+  65  19.10 +/- 0.53   0.003% *  0.2590% (0.65   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+  65  19.67 +/- 0.92   0.003% *  0.1949% (0.49   0.02   0.02) =   0.000%
          QB    SER  117 - HG2   LYS+  65  17.86 +/- 0.79   0.005% *  0.0998% (0.25   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+  65  21.16 +/- 1.04   0.002% *  0.3060% (0.76   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   LYS+  65  19.27 +/- 0.92   0.003% *  0.1366% (0.34   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+  65  25.58 +/- 0.65   0.000% *  0.3864% (0.97   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   LYS+  65  24.32 +/- 0.97   0.001% *  0.0792% (0.20   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   LYS+  65  27.09 +/- 0.53   0.000% *  0.0701% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 701 (1.80, 1.50, 25.13 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.59, residual support = 161.2:
    * O T QB    LYS+  65 - HG2   LYS+  65   2.34 +/- 0.18  99.445% * 98.3775% (1.00   5.59 161.19) =  99.999%  kept
        T QB    LYS+  66 - HG2   LYS+  65   6.43 +/- 0.69   0.358% *  0.1992% (0.57   0.02  26.31) =   0.001%
          HB3   GLN   17 - HG2   LYS+  65   8.12 +/- 1.65   0.192% *  0.2134% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG2   LYS+  65  13.74 +/- 0.87   0.003% *  0.3511% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+  65  17.04 +/- 0.86   0.001% *  0.2939% (0.84   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   LYS+  65  17.56 +/- 0.76   0.001% *  0.1321% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   LYS+  65  22.37 +/- 0.50   0.000% *  0.3449% (0.98   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+  65  22.45 +/- 0.64   0.000% *  0.0878% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 703 (1.50, 1.50, 25.13 ppm):
    1 diagonal assignment:
    *     HG2   LYS+  65 - HG2   LYS+  65  (1.00)  kept
 
    Peak 705 (1.66, 1.50, 25.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 161.2:
    * O T QD    LYS+  65 - HG2   LYS+  65   2.31 +/- 0.08  99.962% * 97.6055% (1.00   4.44 161.19) = 100.000%  kept
          QB    ALA   57 - HG2   LYS+  65   9.34 +/- 0.86   0.029% *  0.1223% (0.28   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  65  12.85 +/- 2.01   0.005% *  0.2491% (0.57   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HG2   LYS+  65  15.78 +/- 0.86   0.001% *  0.4390% (1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  65  15.59 +/- 1.31   0.001% *  0.1501% (0.34   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  65  16.84 +/- 0.87   0.001% *  0.1651% (0.38   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  65  21.68 +/- 1.10   0.000% *  0.4061% (0.92   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  65  23.71 +/- 0.98   0.000% *  0.4361% (0.99   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  65  23.87 +/- 1.09   0.000% *  0.2491% (0.57   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  65  23.72 +/- 0.79   0.000% *  0.1097% (0.25   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  65  22.70 +/- 0.84   0.000% *  0.0679% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 706 (2.93, 1.50, 25.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 161.2:
    * O T QE    LYS+  65 - HG2   LYS+  65   2.70 +/- 0.18  99.998% * 98.3304% (1.00   4.44 161.19) = 100.000%  kept
        T QE    LYS+  33 - HG2   LYS+  65  17.83 +/- 2.11   0.002% *  0.3975% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+  65  25.16 +/- 0.91   0.000% *  0.4278% (0.97   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  65  23.73 +/- 1.10   0.000% *  0.2688% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  65  26.52 +/- 0.77   0.000% *  0.4092% (0.92   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  65  22.89 +/- 1.05   0.000% *  0.1664% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 707 (3.96, 1.66, 29.54 ppm):
    60 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 161.2:
    *   T HA    LYS+  65 - QD    LYS+  65   3.05 +/- 0.43  97.968% * 94.6666% (0.92   4.75 161.19) =  99.996%  kept
          HA2   GLY   16 - QD    LYS+  65   6.99 +/- 0.99   0.898% *  0.4169% (0.97   0.02   0.02) =   0.004%
          QB    SER  117 - HD3   LYS+ 111   8.36 +/- 0.51   0.296% *  0.0267% (0.06   0.02   0.02) =   0.000%
          QB    SER  117 - HD2   LYS+ 111   7.88 +/- 0.53   0.454% *  0.0165% (0.04   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  65  14.41 +/- 0.81   0.014% *  0.4086% (0.95   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  38   9.66 +/- 0.61   0.143% *  0.0156% (0.04   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 111  12.23 +/- 0.36   0.031% *  0.0692% (0.16   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+  65  15.98 +/- 0.67   0.007% *  0.2446% (0.57   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 111  12.47 +/- 0.28   0.027% *  0.0428% (0.10   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  65  18.44 +/- 1.07   0.003% *  0.2794% (0.65   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  65  18.46 +/- 1.05   0.003% *  0.2103% (0.49   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  65  19.83 +/- 1.21   0.002% *  0.3301% (0.76   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+ 102  15.52 +/- 1.45   0.009% *  0.0618% (0.14   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  65  16.89 +/- 0.64   0.005% *  0.1077% (0.25   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  65  18.30 +/- 1.05   0.003% *  0.1473% (0.34   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+ 102  16.35 +/- 1.48   0.007% *  0.0706% (0.16   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+ 102  17.21 +/- 1.13   0.004% *  0.1054% (0.24   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+ 111  16.81 +/- 0.39   0.004% *  0.1012% (0.23   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+ 102  13.55 +/- 0.93   0.020% *  0.0216% (0.05   0.02   0.02) =   0.000%
          HA    ALA  120 - HD2   LYS+ 111  15.87 +/- 0.56   0.007% *  0.0626% (0.14   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  14.88 +/- 0.36   0.009% *  0.0365% (0.08   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  38  17.46 +/- 1.15   0.004% *  0.0762% (0.18   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+ 102  15.22 +/- 1.37   0.010% *  0.0272% (0.06   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD2   LYS+ 111  14.39 +/- 0.26   0.011% *  0.0226% (0.05   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  65  23.95 +/- 0.94   0.001% *  0.4169% (0.97   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+ 111  17.09 +/- 0.53   0.004% *  0.0605% (0.14   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+ 102  19.49 +/- 1.45   0.002% *  0.1033% (0.24   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 111  19.60 +/- 0.76   0.002% *  0.1032% (0.24   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD2   LYS+ 111  16.53 +/- 0.52   0.005% *  0.0375% (0.09   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 111  18.84 +/- 0.68   0.002% *  0.0817% (0.19   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 111  17.65 +/- 0.30   0.003% *  0.0521% (0.12   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+  38  19.46 +/- 0.72   0.002% *  0.0728% (0.17   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 111  16.95 +/- 0.20   0.004% *  0.0322% (0.07   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 111  18.81 +/- 0.59   0.002% *  0.0506% (0.12   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+ 102  16.72 +/- 1.37   0.006% *  0.0191% (0.04   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+  38  18.75 +/- 0.70   0.002% *  0.0447% (0.10   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  16.65 +/- 0.87   0.005% *  0.0187% (0.04   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 111  20.28 +/- 0.71   0.002% *  0.0639% (0.15   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+ 102  22.30 +/- 0.89   0.001% *  0.1008% (0.23   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+ 102  23.19 +/- 0.85   0.001% *  0.1054% (0.24   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  38  22.18 +/- 0.63   0.001% *  0.0746% (0.17   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  65  22.52 +/- 0.58   0.001% *  0.0855% (0.20   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  38  22.83 +/- 0.71   0.001% *  0.0762% (0.18   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+ 111  24.21 +/- 0.45   0.000% *  0.0987% (0.23   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+ 102  23.99 +/- 1.16   0.001% *  0.0834% (0.19   0.02   0.02) =   0.000%
          HA    ALA   88 - HD2   LYS+ 111  17.57 +/- 0.79   0.004% *  0.0116% (0.03   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD2   LYS+ 111  23.29 +/- 0.47   0.001% *  0.0611% (0.14   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  38  22.58 +/- 0.57   0.001% *  0.0510% (0.12   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  65  25.53 +/- 0.95   0.000% *  0.0757% (0.18   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  38  21.25 +/- 0.84   0.001% *  0.0197% (0.05   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 111  29.35 +/- 0.67   0.000% *  0.1032% (0.24   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+ 102  25.58 +/- 1.42   0.000% *  0.0372% (0.09   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  38  27.75 +/- 0.43   0.000% *  0.0603% (0.14   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 111  28.59 +/- 0.75   0.000% *  0.0639% (0.15   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+ 102  28.77 +/- 1.42   0.000% *  0.0531% (0.12   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  38  24.83 +/- 0.64   0.000% *  0.0138% (0.03   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  38  30.29 +/- 0.27   0.000% *  0.0269% (0.06   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  38  32.78 +/- 0.31   0.000% *  0.0384% (0.09   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  30.60 +/- 0.53   0.000% *  0.0212% (0.05   0.02   0.02) =   0.000%
          HA    GLN   32 - HD2   LYS+ 111  30.86 +/- 0.50   0.000% *  0.0131% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 708 (1.80, 1.66, 29.54 ppm):
    40 chemical-shift based assignments, quality = 0.895, support = 5.02, residual support = 160.8:
    * O T QB    LYS+  65 - QD    LYS+  65   2.15 +/- 0.18  58.625% * 78.8760% (1.00   5.07 161.19) =  86.086%  kept
      O T QB    LYS+ 102 - QD    LYS+ 102   2.33 +/- 0.33  40.827% * 18.3058% (0.25   4.75 158.21) =  13.914%  kept
          QB    LYS+  66 - QD    LYS+  65   6.38 +/- 0.28   0.085% *  0.1762% (0.57   0.02  26.31) =   0.000%
          HB3   GLN   17 - QD    LYS+  65   7.29 +/- 1.16   0.072% *  0.1888% (0.61   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+ 102   6.02 +/- 1.14   0.342% *  0.0196% (0.06   0.02  22.53) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  38   9.54 +/- 1.57   0.016% *  0.0557% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.01 +/- 0.63   0.001% *  0.3106% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD3   LYS+ 111  10.06 +/- 0.36   0.006% *  0.0644% (0.21   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD2   LYS+ 111   9.50 +/- 0.25   0.008% *  0.0398% (0.13   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102  10.13 +/- 1.38   0.008% *  0.0295% (0.09   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  38  11.56 +/- 0.74   0.003% *  0.0567% (0.18   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  16.47 +/- 0.97   0.000% *  0.2600% (0.84   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  38  10.85 +/- 0.40   0.004% *  0.0213% (0.07   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  16.75 +/- 0.89   0.000% *  0.1168% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  15.80 +/- 0.65   0.000% *  0.0785% (0.25   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  20.91 +/- 0.52   0.000% *  0.3051% (0.98   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  38  14.21 +/- 1.15   0.001% *  0.0142% (0.05   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  17.68 +/- 0.99   0.000% *  0.0445% (0.14   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  38  16.91 +/- 0.43   0.000% *  0.0322% (0.10   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+  38  19.06 +/- 0.55   0.000% *  0.0569% (0.18   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   LYS+ 111  18.38 +/- 0.58   0.000% *  0.0436% (0.14   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   LYS+ 111  20.21 +/- 0.66   0.000% *  0.0755% (0.24   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  20.78 +/- 0.88   0.000% *  0.0787% (0.25   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD3   LYS+ 111  20.53 +/- 0.46   0.000% *  0.0771% (0.25   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  21.10 +/- 1.53   0.000% *  0.0657% (0.21   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  17.55 +/- 0.53   0.000% *  0.0270% (0.09   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  21.28 +/- 0.99   0.000% *  0.0776% (0.25   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.60 +/- 0.44   0.000% *  0.0477% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  38  19.44 +/- 1.06   0.000% *  0.0345% (0.11   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  20.66 +/- 0.73   0.000% *  0.0467% (0.15   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   LYS+ 111  18.29 +/- 0.57   0.000% *  0.0192% (0.06   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  23.94 +/- 0.85   0.000% *  0.0477% (0.15   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   LYS+ 111  22.00 +/- 0.99   0.000% *  0.0289% (0.09   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  18.84 +/- 0.55   0.000% *  0.0119% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   LYS+ 111  25.93 +/- 0.61   0.000% *  0.0769% (0.25   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  25.68 +/- 0.65   0.000% *  0.0476% (0.15   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  22.09 +/- 0.86   0.000% *  0.0179% (0.06   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  38  26.54 +/- 0.44   0.000% *  0.0475% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   LYS+ 111  28.48 +/- 0.46   0.000% *  0.0467% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  27.75 +/- 0.55   0.000% *  0.0289% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (1.50, 1.66, 29.54 ppm):
    50 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 161.2:
    * O T HG2   LYS+  65 - QD    LYS+  65   2.31 +/- 0.08  87.451% * 95.9880% (1.00   4.44 161.19) =  99.996%  kept
        T QD    LYS+  66 - QD    LYS+  65   6.04 +/- 0.80   0.377% *  0.3142% (0.73   0.02  26.31) =   0.001%
      O   HB3   LYS+ 111 - HD3   LYS+ 111   3.80 +/- 0.11   4.606% *  0.0188% (0.04   0.02 312.62) =   0.001%
      O   HB3   LYS+ 111 - HD2   LYS+ 111   3.54 +/- 0.25   7.235% *  0.0116% (0.03   0.02 312.62) =   0.001%
          HG    LEU  104 - QD    LYS+ 102   6.59 +/- 0.97   0.263% *  0.0273% (0.06   0.02   0.17) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  65  11.87 +/- 0.98   0.006% *  0.3614% (0.84   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  65  15.06 +/- 0.94   0.001% *  0.4289% (0.99   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+ 102  12.98 +/- 1.41   0.004% *  0.1084% (0.25   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  65  12.51 +/- 1.25   0.005% *  0.0668% (0.15   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  65  16.68 +/- 1.03   0.001% *  0.4289% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   9.81 +/- 0.37   0.015% *  0.0176% (0.04   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  38  10.51 +/- 0.83   0.012% *  0.0197% (0.05   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  65  14.28 +/- 0.90   0.002% *  0.0963% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+ 102  11.69 +/- 1.05   0.006% *  0.0243% (0.06   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HD3   LYS+ 111  15.62 +/- 1.59   0.001% *  0.1062% (0.25   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  65  15.27 +/- 0.70   0.001% *  0.1079% (0.25   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  14.78 +/- 0.71   0.001% *  0.0783% (0.18   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HD2   LYS+ 111  15.31 +/- 1.65   0.001% *  0.0657% (0.15   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+ 102  17.05 +/- 0.73   0.001% *  0.1084% (0.25   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+ 102  14.48 +/- 1.48   0.002% *  0.0273% (0.06   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  17.49 +/- 1.42   0.001% *  0.0783% (0.18   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  65  18.86 +/- 0.75   0.000% *  0.1079% (0.25   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HD3   LYS+ 111  15.17 +/- 0.91   0.001% *  0.0267% (0.06   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HD2   LYS+ 111  14.66 +/- 0.82   0.001% *  0.0165% (0.04   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+  38  18.42 +/- 0.54   0.000% *  0.0574% (0.13   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  65  19.39 +/- 0.88   0.000% *  0.0758% (0.18   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+ 102  19.63 +/- 0.92   0.000% *  0.0794% (0.18   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HD3   LYS+ 111  19.85 +/- 1.11   0.000% *  0.0778% (0.18   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD    LYS+ 102  20.81 +/- 1.00   0.000% *  0.0913% (0.21   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD2   LYS+ 111  18.91 +/- 0.97   0.000% *  0.0481% (0.11   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  20.43 +/- 0.63   0.000% *  0.0660% (0.15   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  21.68 +/- 1.10   0.000% *  0.0790% (0.18   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HD3   LYS+ 111  22.67 +/- 0.52   0.000% *  0.0895% (0.21   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD3   LYS+ 111  23.72 +/- 0.79   0.000% *  0.1071% (0.25   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+ 102  23.87 +/- 1.09   0.000% *  0.1094% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 102  18.45 +/- 1.62   0.000% *  0.0192% (0.04   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  38  18.40 +/- 1.00   0.000% *  0.0197% (0.05   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 111  24.49 +/- 0.54   0.000% *  0.1062% (0.25   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD2   LYS+ 111  22.70 +/- 0.84   0.000% *  0.0663% (0.15   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD2   LYS+ 111  22.25 +/- 0.50   0.000% *  0.0554% (0.13   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 111  20.61 +/- 0.42   0.000% *  0.0267% (0.06   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+ 111  24.44 +/- 0.51   0.000% *  0.0657% (0.15   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HD3   LYS+ 111  20.61 +/- 0.55   0.000% *  0.0165% (0.04   0.02   0.02) =   0.000%
          HG    LEU  104 - HD2   LYS+ 111  20.77 +/- 0.38   0.000% *  0.0165% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 111  22.79 +/- 0.45   0.000% *  0.0238% (0.06   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   LYS+ 111  20.14 +/- 0.52   0.000% *  0.0102% (0.02   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+ 102  22.16 +/- 1.15   0.000% *  0.0169% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+ 111  22.58 +/- 0.40   0.000% *  0.0148% (0.03   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  38  23.18 +/- 0.59   0.000% *  0.0122% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  38  26.00 +/- 0.58   0.000% *  0.0138% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 712 (1.66, 1.66, 29.54 ppm):
    5 diagonal assignments:
    *     QD    LYS+  65 - QD    LYS+  65  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.17)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.14)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.06)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 713 (2.93, 1.66, 29.54 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 161.2:
    * O T QE    LYS+  65 - QD    LYS+  65   2.10 +/- 0.03  99.930% * 96.2682% (1.00   4.00 161.19) = 100.000%  kept
          HB2   ASN   35 - QD    LYS+  38   7.75 +/- 0.57   0.046% *  0.0533% (0.11   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+  38   9.91 +/- 1.51   0.016% *  0.0789% (0.16   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 102  11.52 +/- 0.96   0.004% *  0.0738% (0.15   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+  65  16.42 +/- 1.62   0.001% *  0.4317% (0.90   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+ 102  14.79 +/- 1.20   0.001% *  0.1123% (0.23   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+ 102  16.02 +/- 1.11   0.001% *  0.1091% (0.23   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+ 102  17.30 +/- 0.94   0.000% *  0.1174% (0.24   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  38  16.49 +/- 0.58   0.000% *  0.0849% (0.18   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  65  23.37 +/- 0.81   0.000% *  0.4645% (0.97   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  65  22.03 +/- 0.78   0.000% *  0.2919% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  65  21.46 +/- 1.16   0.000% *  0.1807% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  65  24.93 +/- 1.07   0.000% *  0.4443% (0.92   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  38  20.46 +/- 0.94   0.000% *  0.0879% (0.18   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  21.76 +/- 0.60   0.000% *  0.1100% (0.23   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  38  20.78 +/- 0.79   0.000% *  0.0812% (0.17   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+ 102  22.95 +/- 0.87   0.000% *  0.1217% (0.25   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  22.92 +/- 0.68   0.000% *  0.1192% (0.25   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD2   LYS+ 111  21.97 +/- 0.62   0.000% *  0.0737% (0.15   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD2   LYS+ 111  22.48 +/- 0.48   0.000% *  0.0681% (0.14   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  23.51 +/- 0.77   0.000% *  0.0447% (0.09   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  28.57 +/- 1.17   0.000% *  0.1069% (0.22   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+ 102  25.54 +/- 1.22   0.000% *  0.0457% (0.09   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD2   LYS+ 111  23.52 +/- 0.78   0.000% *  0.0277% (0.06   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  29.91 +/- 0.75   0.000% *  0.1150% (0.24   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD2   LYS+ 111  28.49 +/- 1.14   0.000% *  0.0661% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  29.33 +/- 0.75   0.000% *  0.0723% (0.15   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD2   LYS+ 111  30.23 +/- 0.66   0.000% *  0.0712% (0.15   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD2   LYS+ 111  29.59 +/- 0.74   0.000% *  0.0447% (0.09   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  38  28.54 +/- 0.41   0.000% *  0.0330% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 0.923, support = 4.75, residual support = 161.1:
    *   T HA    LYS+  65 - QE    LYS+  65   3.99 +/- 0.51  85.923% * 95.6283% (0.92   4.75 161.19) =  99.974%  kept
          HA2   GLY   16 - QE    LYS+  65   7.34 +/- 1.44   3.856% *  0.4211% (0.97   0.02   0.02) =   0.020%
        T HA    GLN   32 - QE    LYS+  33   6.70 +/- 1.37   9.898% *  0.0444% (0.10   0.02  13.37) =   0.005%
          HA2   GLY   16 - QE    LYS+  33  12.78 +/- 1.59   0.134% *  0.2165% (0.50   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  65  15.08 +/- 1.11   0.042% *  0.4128% (0.95   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QE    LYS+  33  16.18 +/- 1.76   0.030% *  0.2071% (0.47   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QE    LYS+  65  16.74 +/- 0.89   0.020% *  0.2470% (0.57   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  65  18.95 +/- 0.90   0.009% *  0.2823% (0.65   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  65  18.49 +/- 1.05   0.012% *  0.2124% (0.49   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  65  19.93 +/- 1.32   0.008% *  0.3335% (0.76   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  33  18.85 +/- 1.13   0.009% *  0.2165% (0.50   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  18.47 +/- 1.01   0.012% *  0.1488% (0.34   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  65  17.47 +/- 0.61   0.015% *  0.1088% (0.25   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  33  19.59 +/- 0.94   0.008% *  0.1451% (0.33   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  65  24.34 +/- 0.97   0.002% *  0.4211% (0.97   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  33  21.76 +/- 1.12   0.004% *  0.1714% (0.39   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QE    LYS+  33  22.33 +/- 1.57   0.004% *  0.1270% (0.29   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  33  24.46 +/- 1.64   0.002% *  0.2122% (0.49   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  23.07 +/- 1.15   0.003% *  0.0864% (0.20   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  33  23.18 +/- 1.30   0.003% *  0.0559% (0.13   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  22.14 +/- 0.96   0.003% *  0.0393% (0.09   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  25.31 +/- 1.20   0.002% *  0.0765% (0.18   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  33  27.27 +/- 1.30   0.001% *  0.1092% (0.25   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  26.05 +/- 0.93   0.001% *  0.0764% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 722 (1.80, 2.93, 42.22 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.07, residual support = 161.2:
    *   T QB    LYS+  65 - QE    LYS+  65   3.04 +/- 0.66  90.471% * 97.1274% (1.00   5.07 161.19) =  99.977%  kept
          HB3   GLN   17 - QE    LYS+  65   7.32 +/- 1.69   3.978% *  0.2325% (0.61   0.02   0.02) =   0.011%
          HB2   LEU   71 - QE    LYS+  33   6.70 +/- 1.58   4.444% *  0.1966% (0.51   0.02   0.02) =   0.010%
          QB    LYS+  66 - QE    LYS+  65   7.07 +/- 0.70   0.816% *  0.2170% (0.57   0.02  26.31) =   0.002%
          HB    VAL   41 - QE    LYS+  33   9.97 +/- 1.45   0.188% *  0.0739% (0.19   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  65  13.58 +/- 0.90   0.020% *  0.3824% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  33  12.62 +/- 1.50   0.039% *  0.1195% (0.31   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  33  14.76 +/- 1.04   0.011% *  0.1931% (0.50   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  65  16.87 +/- 0.85   0.005% *  0.3201% (0.84   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QE    LYS+  33  16.37 +/- 1.53   0.007% *  0.1970% (0.51   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  33  16.50 +/- 1.48   0.007% *  0.1115% (0.29   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  65  17.46 +/- 0.85   0.004% *  0.1438% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  65  21.61 +/- 0.60   0.001% *  0.3757% (0.98   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  33  15.89 +/- 1.25   0.007% *  0.0491% (0.13   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  33  23.32 +/- 1.15   0.001% *  0.1646% (0.43   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  65  22.02 +/- 0.78   0.001% *  0.0956% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 724 (1.50, 2.93, 42.22 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 161.2:
    * O T HG2   LYS+  65 - QE    LYS+  65   2.70 +/- 0.18  98.014% * 96.7423% (1.00   4.44 161.19) =  99.994%  kept
          QD    LYS+  66 - QE    LYS+  65   6.63 +/- 1.05   1.095% *  0.3167% (0.73   0.02  26.31) =   0.004%
          QG2   THR   26 - QE    LYS+  33   6.66 +/- 1.16   0.805% *  0.2222% (0.51   0.02   0.02) =   0.002%
          HB2   LYS+  74 - QE    LYS+  65  12.15 +/- 1.37   0.016% *  0.3642% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  33  13.13 +/- 1.36   0.010% *  0.1872% (0.43   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  65  15.28 +/- 1.22   0.004% *  0.4322% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  33  11.85 +/- 1.71   0.023% *  0.0499% (0.11   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  65  12.74 +/- 1.60   0.013% *  0.0673% (0.15   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  65  17.48 +/- 0.98   0.001% *  0.4322% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  65  15.09 +/- 1.04   0.004% *  0.0971% (0.22   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QE    LYS+  33  17.83 +/- 2.11   0.002% *  0.2242% (0.51   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  65  16.04 +/- 0.92   0.003% *  0.1087% (0.25   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  33  14.98 +/- 1.40   0.004% *  0.0559% (0.13   0.02   0.02) =   0.000%
          QD    LYS+  66 - QE    LYS+  33  18.01 +/- 1.67   0.001% *  0.1628% (0.37   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  33  20.91 +/- 1.98   0.001% *  0.2222% (0.51   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  33  16.43 +/- 1.39   0.003% *  0.0346% (0.08   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  65  19.66 +/- 0.66   0.001% *  0.1087% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  65  19.93 +/- 0.56   0.001% *  0.0764% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  33  21.12 +/- 1.63   0.001% *  0.0559% (0.13   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  33  25.44 +/- 1.17   0.000% *  0.0393% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 726 (1.66, 2.93, 42.22 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 161.2:
    * O T QD    LYS+  65 - QE    LYS+  65   2.10 +/- 0.03  99.958% * 95.8064% (1.00   4.00 161.19) = 100.000%  kept
        T QD    LYS+  38 - QE    LYS+  33   9.91 +/- 1.51   0.016% *  0.2273% (0.47   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  65   9.16 +/- 0.84   0.017% *  0.1332% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  65  12.83 +/- 2.07   0.003% *  0.2712% (0.57   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  65  15.82 +/- 0.63   0.001% *  0.4780% (1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  33  15.33 +/- 1.22   0.001% *  0.2441% (0.51   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  65  15.12 +/- 1.16   0.001% *  0.1634% (0.34   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  33  16.42 +/- 1.62   0.001% *  0.2463% (0.51   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  15.20 +/- 1.46   0.001% *  0.1394% (0.29   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  65  16.59 +/- 0.93   0.000% *  0.1798% (0.38   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  33  16.02 +/- 1.11   0.001% *  0.1394% (0.29   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  65  20.46 +/- 0.94   0.000% *  0.4422% (0.92   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  65  22.76 +/- 1.15   0.000% *  0.4748% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  33  20.83 +/- 1.71   0.000% *  0.2457% (0.51   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  65  22.95 +/- 0.87   0.000% *  0.2712% (0.57   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  18.87 +/- 1.25   0.000% *  0.0685% (0.14   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  22.92 +/- 0.68   0.000% *  0.1194% (0.25   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  65  21.97 +/- 0.62   0.000% *  0.0739% (0.15   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  33  23.30 +/- 1.16   0.000% *  0.0924% (0.19   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  33  24.37 +/- 1.68   0.000% *  0.0840% (0.18   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  28.57 +/- 1.17   0.000% *  0.0614% (0.13   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  33  28.49 +/- 1.14   0.000% *  0.0380% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 1.0, support = 4.98, residual support = 111.6:
    * O T QB    LYS+  66 - HA    LYS+  66   2.43 +/- 0.07  95.574% * 97.8051% (1.00   4.98 111.66) =  99.989%  kept
          QB    LYS+  65 - HA    LYS+  66   4.10 +/- 0.20   4.390% *  0.2223% (0.57   0.02  26.31) =   0.010%
          HG    LEU  123 - HA    LYS+  66  10.09 +/- 1.18   0.031% *  0.2223% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+  66  13.74 +/- 0.35   0.003% *  0.2066% (0.53   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  66  16.49 +/- 0.34   0.001% *  0.3715% (0.95   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  66  18.92 +/- 0.47   0.000% *  0.3522% (0.90   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  66  19.73 +/- 0.48   0.000% *  0.2697% (0.69   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  66  20.86 +/- 0.70   0.000% *  0.3280% (0.84   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  66  22.80 +/- 0.38   0.000% *  0.2223% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 731 (1.44, 4.07, 57.65 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 111.7:
    * O T QG    LYS+  66 - HA    LYS+  66   2.51 +/- 0.30  97.829% * 96.9006% (1.00   4.31 111.66) =  99.994%  kept
          HB3   LEU   67 - HA    LYS+  66   6.16 +/- 0.43   0.717% *  0.4250% (0.95   0.02  10.47) =   0.003%
        T HG    LEU   67 - HA    LYS+  66   5.67 +/- 0.91   1.342% *  0.1686% (0.38   0.02  10.47) =   0.002%
          QB    ALA   61 - HA    LYS+  66   8.25 +/- 0.11   0.094% *  0.3753% (0.84   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  66  12.23 +/- 0.58   0.009% *  0.2187% (0.49   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  66  14.37 +/- 0.88   0.003% *  0.2187% (0.49   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+  66  16.37 +/- 0.53   0.002% *  0.4250% (0.95   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  66  15.44 +/- 0.53   0.002% *  0.2364% (0.53   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  66  16.42 +/- 0.25   0.002% *  0.2725% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    LYS+  66  22.77 +/- 1.43   0.000% *  0.3897% (0.87   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  66  25.07 +/- 1.06   0.000% *  0.2907% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  66  25.52 +/- 1.06   0.000% *  0.0787% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 732 (1.51, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 111.7:
    *   T QD    LYS+  66 - HA    LYS+  66   2.40 +/- 0.30  99.320% * 97.7274% (1.00   4.31 111.66) =  99.998%  kept
          HG2   LYS+  65 - HA    LYS+  66   6.32 +/- 0.88   0.659% *  0.3290% (0.73   0.02  26.31) =   0.002%
          HB3   LYS+ 121 - HA    LYS+  66  11.90 +/- 0.76   0.009% *  0.3113% (0.69   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  66  13.43 +/- 1.22   0.006% *  0.3628% (0.80   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  66  16.77 +/- 0.63   0.001% *  0.3113% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+  66  17.02 +/- 0.95   0.001% *  0.2384% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  66  15.96 +/- 0.28   0.001% *  0.1701% (0.38   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  66  18.36 +/- 0.53   0.001% *  0.2931% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  66  20.01 +/- 0.47   0.000% *  0.2565% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 733 (2.87, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.78, residual support = 111.7:
    *   T QE    LYS+  66 - HA    LYS+  66   4.09 +/- 0.26  99.264% * 99.2660% (1.00   3.78 111.66) =  99.999%  kept
          HB2   ASN   69 - HA    LYS+  66   9.45 +/- 0.40   0.730% *  0.1620% (0.31   0.02   0.02) =   0.001%
          HB3   ASN   35 - HA    LYS+  66  23.27 +/- 0.34   0.003% *  0.4552% (0.87   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  66  23.48 +/- 0.37   0.003% *  0.1168% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 734 (4.07, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.98, residual support = 111.7:
    * O T HA    LYS+  66 - QB    LYS+  66   2.43 +/- 0.07  99.963% * 99.7947% (1.00   4.98 111.66) = 100.000%  kept
          HA1   GLY   16 - QB    LYS+  66   9.24 +/- 0.64   0.037% *  0.0542% (0.14   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  66  20.79 +/- 0.57   0.000% *  0.0892% (0.22   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    LYS+  66  23.77 +/- 0.35   0.000% *  0.0618% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 735 (1.82, 1.82, 33.88 ppm):
    1 diagonal assignment:
    *     QB    LYS+  66 - QB    LYS+  66  (1.00)  kept
 
    Peak 737 (1.44, 1.82, 33.88 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 111.6:
    * O T QG    LYS+  66 - QB    LYS+  66   2.06 +/- 0.01  93.977% * 96.8966% (1.00   4.31 111.66) =  99.987%  kept
        T HG    LEU   67 - QB    LYS+  66   4.14 +/- 1.16   5.391% *  0.1689% (0.38   0.02  10.47) =   0.010%
          HB3   LEU   67 - QB    LYS+  66   5.09 +/- 0.52   0.553% *  0.4256% (0.95   0.02  10.47) =   0.003%
          QB    ALA   61 - QB    LYS+  66   6.97 +/- 0.13   0.062% *  0.3758% (0.84   0.02   0.02) =   0.000%
          HG    LEU   40 - QB    LYS+  66   9.91 +/- 0.64   0.008% *  0.2190% (0.49   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+  66  10.56 +/- 0.80   0.006% *  0.2190% (0.49   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+  66  14.05 +/- 0.50   0.001% *  0.4256% (0.95   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+  66  13.04 +/- 0.24   0.001% *  0.2729% (0.61   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+  66  14.15 +/- 0.54   0.001% *  0.2367% (0.53   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QB    LYS+  66  18.95 +/- 1.41   0.000% *  0.3903% (0.87   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+  66  21.50 +/- 0.95   0.000% *  0.2910% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  66  21.79 +/- 0.96   0.000% *  0.0788% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 738 (1.51, 1.82, 33.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 111.7:
    * O T QD    LYS+  66 - QB    LYS+  66   2.25 +/- 0.16  99.569% * 97.7244% (1.00   4.31 111.66) =  99.999%  kept
        T HG2   LYS+  65 - QB    LYS+  66   6.43 +/- 0.69   0.365% *  0.3295% (0.73   0.02  26.31) =   0.001%
          HB3   LYS+ 121 - QB    LYS+  66   8.49 +/- 0.69   0.041% *  0.3117% (0.69   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QB    LYS+  66   9.95 +/- 0.98   0.017% *  0.3633% (0.80   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  66  13.60 +/- 0.58   0.002% *  0.3117% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  66  14.45 +/- 0.87   0.002% *  0.2387% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QB    LYS+  66  13.79 +/- 0.35   0.002% *  0.1703% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  66  15.58 +/- 0.45   0.001% *  0.2569% (0.57   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  66  16.32 +/- 0.44   0.001% *  0.2935% (0.65   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 739 (2.87, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.75, residual support = 111.7:
    *   T QE    LYS+  66 - QB    LYS+  66   3.22 +/- 0.59  99.732% * 99.2589% (1.00   3.75 111.66) = 100.000%  kept
          HB2   ASN   69 - QB    LYS+  66   9.25 +/- 0.44   0.263% *  0.1635% (0.31   0.02   0.02) =   0.000%
          HB3   ASN   35 - QB    LYS+  66  20.41 +/- 0.43   0.002% *  0.4596% (0.87   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  66  20.10 +/- 0.29   0.002% *  0.1180% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 746 (4.07, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 111.7:
    * O T HA    LYS+  66 - QG    LYS+  66   2.51 +/- 0.30  98.545% * 99.7093% (1.00   4.31 111.66) =  99.999%  kept
        T HA    LYS+  66 - HG    LEU   67   5.67 +/- 0.91   1.353% *  0.0356% (0.08   0.02  10.47) =   0.000%
          HA1   GLY   16 - QG    LYS+  66   9.76 +/- 0.64   0.039% *  0.0626% (0.14   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG    LEU   67   9.32 +/- 0.75   0.061% *  0.0048% (0.01   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  66  22.34 +/- 0.72   0.000% *  0.1029% (0.22   0.02   0.02) =   0.000%
          HA    LYS+  81 - QG    LYS+  66  24.69 +/- 0.54   0.000% *  0.0713% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   67  18.86 +/- 1.09   0.001% *  0.0079% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   67  24.86 +/- 0.48   0.000% *  0.0055% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 1.0, support = 4.31, residual support = 111.6:
    * O T QB    LYS+  66 - QG    LYS+  66   2.06 +/- 0.01  90.630% * 97.2472% (1.00   4.31 111.66) =  99.986%  kept
          QB    LYS+  65 - QG    LYS+  66   3.80 +/- 0.80   3.912% *  0.2556% (0.57   0.02  26.31) =   0.011%
        T QB    LYS+  66 - HG    LEU   67   4.14 +/- 1.16   5.224% *  0.0348% (0.08   0.02  10.47) =   0.002%
          HG    LEU  123 - QG    LYS+  66   7.01 +/- 1.05   0.162% *  0.2556% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   67   7.53 +/- 1.02   0.053% *  0.0197% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG    LYS+  66  13.64 +/- 0.46   0.001% *  0.2376% (0.53   0.02   0.02) =   0.000%
        T HB    VAL   41 - QG    LYS+  66  15.34 +/- 0.63   0.001% *  0.4271% (0.95   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    LYS+  66  15.30 +/- 0.60   0.001% *  0.4049% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG    LEU   67  10.17 +/- 0.70   0.007% *  0.0183% (0.04   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG    LEU   67  11.39 +/- 0.79   0.003% *  0.0329% (0.07   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   67  10.99 +/- 1.19   0.005% *  0.0197% (0.04   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QG    LYS+  66  17.77 +/- 0.89   0.000% *  0.3102% (0.69   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    LYS+  66  18.45 +/- 0.91   0.000% *  0.3771% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG    LYS+  66  18.62 +/- 0.60   0.000% *  0.2556% (0.57   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG    LEU   67  14.83 +/- 1.01   0.001% *  0.0239% (0.05   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   67  15.60 +/- 0.96   0.001% *  0.0290% (0.06   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   67  17.55 +/- 0.85   0.000% *  0.0312% (0.07   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   67  22.14 +/- 1.08   0.000% *  0.0197% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 749 (1.44, 1.44, 25.66 ppm):
    2 diagonal assignments:
    *     QG    LYS+  66 - QG    LYS+  66  (1.00)  kept
          HG    LEU   67 - HG    LEU   67  (0.03)  kept
 
    Peak 750 (1.51, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 111.6:
    * O T QD    LYS+  66 - QG    LYS+  66   2.10 +/- 0.03  97.231% * 97.3339% (1.00   4.00 111.66) =  99.991%  kept
          HG2   LYS+  65 - QG    LYS+  66   5.98 +/- 1.41   2.460% *  0.3534% (0.73   0.02  26.31) =   0.009%
        T QD    LYS+  66 - HG    LEU   67   6.25 +/- 0.95   0.224% *  0.0375% (0.08   0.02  10.47) =   0.000%
          HB3   LYS+ 121 - QG    LYS+  66   9.31 +/- 0.86   0.016% *  0.3343% (0.69   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QG    LYS+  66  10.93 +/- 1.28   0.007% *  0.3897% (0.80   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HG    LEU   67   9.01 +/- 0.91   0.019% *  0.0257% (0.05   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG    LEU   67   9.88 +/- 1.35   0.015% *  0.0300% (0.06   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG    LEU   67   9.52 +/- 1.18   0.016% *  0.0272% (0.06   0.02   0.02) =   0.000%
          HG    LEU  104 - QG    LYS+  66  15.17 +/- 0.98   0.001% *  0.3343% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG    LYS+  66  14.99 +/- 0.85   0.001% *  0.2560% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QG    LYS+  66  14.56 +/- 0.56   0.001% *  0.1827% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG    LYS+  66  15.96 +/- 0.45   0.001% *  0.2755% (0.57   0.02   0.02) =   0.000%
          HG    LEU  104 - HG    LEU   67  11.31 +/- 1.19   0.005% *  0.0257% (0.05   0.02   0.02) =   0.000%
          QG2   THR   26 - QG    LYS+  66  17.21 +/- 0.68   0.000% *  0.3148% (0.65   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG    LEU   67  14.40 +/- 0.72   0.001% *  0.0141% (0.03   0.02   0.02) =   0.000%
          QG2   THR   26 - HG    LEU   67  16.04 +/- 0.52   0.001% *  0.0242% (0.05   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG    LEU   67  15.93 +/- 1.16   0.001% *  0.0197% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG    LEU   67  17.84 +/- 0.84   0.000% *  0.0212% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 751 (2.87, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.43, residual support = 111.7:
    * O T QE    LYS+  66 - QG    LYS+  66   2.13 +/- 0.10  99.743% * 99.0839% (1.00   3.43 111.66) = 100.000%  kept
        T QE    LYS+  66 - HG    LEU   67   7.24 +/- 1.26   0.146% *  0.0445% (0.08   0.02  10.47) =   0.000%
          HB2   ASN   69 - HG    LEU   67   7.29 +/- 1.02   0.102% *  0.0137% (0.02   0.02   3.01) =   0.000%
          HB2   ASN   69 - QG    LYS+  66  10.50 +/- 0.70   0.008% *  0.1786% (0.31   0.02   0.02) =   0.000%
          HB3   ASN   35 - QG    LYS+  66  21.97 +/- 0.60   0.000% *  0.5019% (0.87   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QG    LYS+  66  20.78 +/- 0.74   0.000% *  0.1288% (0.22   0.02   0.02) =   0.000%
          HB3   ASN   35 - HG    LEU   67  18.47 +/- 1.08   0.000% *  0.0386% (0.07   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG    LEU   67  21.50 +/- 0.58   0.000% *  0.0099% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 752 (4.07, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 111.7:
    *   T HA    LYS+  66 - QD    LYS+  66   2.40 +/- 0.30  99.962% * 99.6763% (1.00   4.31 111.66) = 100.000%  kept
          HA1   GLY   16 - QD    LYS+  66   9.89 +/- 0.73   0.030% *  0.0625% (0.14   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HD2   LYS+ 121  13.43 +/- 1.22   0.006% *  0.0575% (0.12   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  66  22.65 +/- 0.56   0.000% *  0.1029% (0.22   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD    LYS+  66  25.94 +/- 0.89   0.000% *  0.0713% (0.15   0.02   0.02) =   0.000%
          HA1   GLY   16 - HD2   LYS+ 121  18.95 +/- 1.66   0.001% *  0.0078% (0.02   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   LYS+ 121  22.45 +/- 1.22   0.000% *  0.0128% (0.03   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   LYS+ 121  26.22 +/- 0.76   0.000% *  0.0089% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 753 (1.82, 1.51, 29.56 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 111.6:
    * O T QB    LYS+  66 - QD    LYS+  66   2.25 +/- 0.16  95.631% * 97.1103% (1.00   4.31 111.66) =  99.988%  kept
        T QB    LYS+  65 - QD    LYS+  66   4.35 +/- 0.72   4.204% *  0.2553% (0.57   0.02  26.31) =   0.012%
          HG    LEU  123 - QD    LYS+  66   7.30 +/- 0.82   0.110% *  0.2553% (0.57   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HD2   LYS+ 121   9.95 +/- 0.98   0.017% *  0.0561% (0.12   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   LYS+ 121   9.39 +/- 0.58   0.022% *  0.0317% (0.07   0.02   2.34) =   0.000%
          HB2   LEU   71 - QD    LYS+  66  14.21 +/- 0.52   0.002% *  0.2372% (0.53   0.02   0.02) =   0.000%
          HB    VAL   41 - QD    LYS+  66  16.12 +/- 0.64   0.001% *  0.4265% (0.95   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD    LYS+  66  16.63 +/- 1.10   0.001% *  0.4044% (0.90   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   LYS+ 121  12.11 +/- 0.81   0.005% *  0.0385% (0.09   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 121  13.19 +/- 0.72   0.002% *  0.0468% (0.10   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD    LYS+  66  18.32 +/- 0.60   0.000% *  0.3097% (0.69   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   LYS+ 121  14.01 +/- 1.12   0.002% *  0.0530% (0.12   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  66  19.39 +/- 0.92   0.000% *  0.3766% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  66  19.89 +/- 1.21   0.000% *  0.2553% (0.57   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 121  14.50 +/- 0.92   0.002% *  0.0317% (0.07   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD2   LYS+ 121  17.19 +/- 1.03   0.001% *  0.0503% (0.11   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 121  17.18 +/- 1.28   0.001% *  0.0295% (0.07   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 121  21.73 +/- 1.16   0.000% *  0.0317% (0.07   0.02   0.02) =   0.000%
    Distance limit 5.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 755 (1.44, 1.51, 29.56 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 111.7:
    * O T QG    LYS+  66 - QD    LYS+  66   2.10 +/- 0.03  99.564% * 96.2092% (1.00   4.00 111.66) =  99.999%  kept
        T HG    LEU   67 - QD    LYS+  66   6.25 +/- 0.95   0.229% *  0.1805% (0.38   0.02  10.47) =   0.000%
          HB3   LEU   67 - QD    LYS+  66   7.23 +/- 0.58   0.072% *  0.4551% (0.95   0.02  10.47) =   0.000%
          QB    ALA   61 - QD    LYS+  66   7.55 +/- 0.87   0.071% *  0.4018% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  66  12.15 +/- 1.31   0.004% *  0.2342% (0.49   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  66  12.13 +/- 0.61   0.003% *  0.2342% (0.49   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HD2   LYS+ 121  10.93 +/- 1.28   0.008% *  0.0598% (0.12   0.02   0.02) =   0.000%
        T HG    LEU   40 - HD2   LYS+ 121   9.98 +/- 1.44   0.014% *  0.0291% (0.06   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 121  11.35 +/- 1.42   0.006% *  0.0566% (0.12   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  66  14.24 +/- 0.86   0.001% *  0.2918% (0.61   0.02   0.02) =   0.000%
        T HG    LEU   67 - HD2   LYS+ 121   9.88 +/- 1.35   0.015% *  0.0225% (0.05   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HD2   LYS+ 121  10.50 +/- 1.23   0.008% *  0.0291% (0.06   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  66  16.24 +/- 0.59   0.000% *  0.4551% (0.95   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  66  15.75 +/- 0.57   0.001% *  0.2531% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   LYS+ 121  14.23 +/- 1.97   0.002% *  0.0519% (0.11   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    LYS+  66  21.13 +/- 1.30   0.000% *  0.4173% (0.87   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 121  14.89 +/- 0.59   0.001% *  0.0500% (0.10   0.02   0.02) =   0.000%
          QB    ALA  110 - HD2   LYS+ 121  14.71 +/- 0.92   0.001% *  0.0363% (0.08   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 121  17.94 +/- 1.54   0.000% *  0.0566% (0.12   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  66  23.64 +/- 1.25   0.000% *  0.3112% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  66  24.00 +/- 1.25   0.000% *  0.0842% (0.18   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 121  21.44 +/- 1.42   0.000% *  0.0315% (0.07   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 121  25.03 +/- 1.11   0.000% *  0.0387% (0.08   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   LYS+ 121  24.89 +/- 0.98   0.000% *  0.0105% (0.02   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 = 3.33, residual support = 111.7:
    * O T QE    LYS+  66 - QD    LYS+  66   2.09 +/- 0.03  99.984% * 98.9919% (1.00   3.33 111.66) = 100.000%  kept
          HB2   ASN   69 - QD    LYS+  66  10.27 +/- 0.66   0.008% *  0.1834% (0.31   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HD2   LYS+ 121  11.31 +/- 1.49   0.007% *  0.0739% (0.12   0.02   0.02) =   0.000%
          HB3   ASN   35 - QD    LYS+  66  22.49 +/- 0.46   0.000% *  0.5153% (0.87   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD2   LYS+ 121  15.24 +/- 1.64   0.001% *  0.0228% (0.04   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  66  21.96 +/- 0.84   0.000% *  0.1323% (0.22   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD2   LYS+ 121  21.60 +/- 1.17   0.000% *  0.0641% (0.11   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD2   LYS+ 121  25.30 +/- 0.66   0.000% *  0.0164% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 758 (4.07, 2.87, 42.12 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.78, residual support = 111.7:
    *   T HA    LYS+  66 - QE    LYS+  66   4.09 +/- 0.26  97.461% * 99.5649% (1.00   3.78 111.66) =  99.999%  kept
          HA    LYS+  81 - HB2   ASP-  76   7.77 +/- 0.29   2.295% *  0.0169% (0.03   0.02   0.02) =   0.000%
          HA1   GLY   16 - QE    LYS+  66  11.49 +/- 0.87   0.230% *  0.0712% (0.14   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB2   ASP-  76  23.48 +/- 0.37   0.003% *  0.1094% (0.21   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  66  23.83 +/- 1.12   0.003% *  0.1172% (0.22   0.02   0.02) =   0.000%
          HA    LYS+  81 - QE    LYS+  66  26.37 +/- 0.42   0.001% *  0.0812% (0.15   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   ASP-  76  20.80 +/- 0.44   0.006% *  0.0148% (0.03   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ASP-  76  25.77 +/- 0.55   0.002% *  0.0244% (0.05   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 = 0.966, support = 3.82, residual support = 105.0:
    *   T QB    LYS+  66 - QE    LYS+  66   3.22 +/- 0.59  86.018% * 57.3532% (1.00   3.75 111.66) =  92.162%  kept
          QB    LYS+  65 - QE    LYS+  66   5.36 +/- 0.79  10.296% * 40.6895% (0.57   4.70  26.31) =   7.826%  kept
          HG    LEU  123 - QE    LYS+  66   6.12 +/- 1.35   3.611% *  0.1733% (0.57   0.02   0.02) =   0.012%
          HG2   PRO   93 - QE    LYS+  66  16.30 +/- 0.72   0.007% *  0.2746% (0.90   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  66  16.95 +/- 0.94   0.006% *  0.2896% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  66  15.49 +/- 0.76   0.010% *  0.1611% (0.53   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   ASP-  76  13.93 +/- 0.43   0.017% *  0.0571% (0.19   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  66  18.73 +/- 1.25   0.003% *  0.2103% (0.69   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  66  19.76 +/- 1.08   0.002% *  0.2557% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  66  19.41 +/- 0.89   0.002% *  0.1733% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  15.66 +/- 0.42   0.009% *  0.0360% (0.12   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   ASP-  76  17.29 +/- 0.35   0.005% *  0.0602% (0.20   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   ASP-  76  17.12 +/- 0.81   0.005% *  0.0335% (0.11   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   ASP-  76  19.46 +/- 0.44   0.002% *  0.0532% (0.17   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HB2   ASP-  76  20.10 +/- 0.29   0.002% *  0.0636% (0.21   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   ASP-  76  18.48 +/- 0.43   0.003% *  0.0360% (0.12   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   ASP-  76  22.49 +/- 0.39   0.001% *  0.0437% (0.14   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  28.18 +/- 0.59   0.000% *  0.0360% (0.12   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 761 (1.44, 2.87, 42.12 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 3.43, residual support = 111.7:
    * O T QG    LYS+  66 - QE    LYS+  66   2.13 +/- 0.10  99.406% * 95.2502% (1.00   3.43 111.66) =  99.999%  kept
        T HG    LEU   67 - QE    LYS+  66   7.24 +/- 1.26   0.146% *  0.2087% (0.38   0.02  10.47) =   0.000%
          HB3   LEU   67 - QE    LYS+  66   8.37 +/- 0.99   0.052% *  0.5261% (0.95   0.02  10.47) =   0.000%
          QB    ALA   61 - QE    LYS+  66   7.81 +/- 0.82   0.055% *  0.4645% (0.84   0.02   0.02) =   0.000%
          HG    LEU   80 - HB2   ASP-  76   6.77 +/- 1.17   0.188% *  0.0748% (0.13   0.02   0.48) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   6.97 +/- 0.96   0.135% *  0.0203% (0.04   0.02   0.48) =   0.000%
          HB3   LEU  115 - QE    LYS+  66  11.57 +/- 1.12   0.005% *  0.2707% (0.49   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  66  12.94 +/- 1.06   0.002% *  0.2707% (0.49   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  66  13.81 +/- 0.54   0.001% *  0.3373% (0.61   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   ASP-  76  12.25 +/- 0.67   0.003% *  0.1094% (0.20   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  66  17.25 +/- 0.83   0.000% *  0.5261% (0.95   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   ASP-  76  13.66 +/- 0.36   0.002% *  0.0966% (0.17   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   ASP-  76  13.27 +/- 0.32   0.002% *  0.0701% (0.13   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  66  17.08 +/- 0.48   0.000% *  0.2926% (0.53   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   ASP-  76  14.42 +/- 0.44   0.001% *  0.0608% (0.11   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QE    LYS+  66  21.57 +/- 1.79   0.000% *  0.4824% (0.87   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  66  24.38 +/- 1.04   0.000% *  0.3598% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB2   ASP-  76  20.46 +/- 0.66   0.000% *  0.1094% (0.20   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB2   ASP-  76  20.78 +/- 0.74   0.000% *  0.1156% (0.21   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB2   ASP-  76  19.03 +/- 0.55   0.000% *  0.0563% (0.10   0.02   0.02) =   0.000%
          HG    LEU   40 - HB2   ASP-  76  20.26 +/- 1.35   0.000% *  0.0563% (0.10   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  66  24.67 +/- 1.12   0.000% *  0.0974% (0.18   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB2   ASP-  76  21.50 +/- 0.58   0.000% *  0.0434% (0.08   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   ASP-  76  25.63 +/- 0.89   0.000% *  0.1003% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 762 (1.51, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 3.33, residual support = 111.7:
    * O T QD    LYS+  66 - QE    LYS+  66   2.09 +/- 0.03  99.654% * 96.3760% (1.00   3.33 111.66) =  99.999%  kept
          HG2   LYS+  65 - QE    LYS+  66   7.67 +/- 1.40   0.157% *  0.4200% (0.73   0.02  26.31) =   0.001%
          HD3   LYS+  74 - HB2   ASP-  76   6.92 +/- 1.09   0.128% *  0.0633% (0.11   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  66   9.66 +/- 0.90   0.013% *  0.3973% (0.69   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QE    LYS+  66  11.31 +/- 1.49   0.007% *  0.4631% (0.80   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   ASP-  76   8.25 +/- 0.45   0.028% *  0.0451% (0.08   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   ASP-  76   9.73 +/- 0.45   0.010% *  0.0778% (0.13   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  66  16.27 +/- 1.27   0.001% *  0.3973% (0.69   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  66  16.58 +/- 0.83   0.000% *  0.3275% (0.57   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  66  16.72 +/- 1.02   0.000% *  0.3043% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  66  16.46 +/- 0.53   0.000% *  0.2171% (0.38   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  66  18.85 +/- 0.67   0.000% *  0.3742% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   ASP-  76  19.60 +/- 1.09   0.000% *  0.0873% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   ASP-  76  19.71 +/- 0.31   0.000% *  0.0681% (0.12   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HB2   ASP-  76  21.96 +/- 0.84   0.000% *  0.1202% (0.21   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   ASP-  76  23.08 +/- 0.58   0.000% *  0.0826% (0.14   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HB2   ASP-  76  25.30 +/- 0.66   0.000% *  0.0963% (0.17   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB2   ASP-  76  24.72 +/- 0.56   0.000% *  0.0826% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 33.9:
    * O T HB2   PRO   68 - HA    PRO   68   2.73 +/- 0.00  99.996% * 96.6727% (0.84   2.00  33.91) = 100.000%  kept
          HG3   GLU- 100 - HA    PRO   68  16.72 +/- 0.46   0.002% *  1.0380% (0.90   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   68  17.58 +/- 0.34   0.001% *  1.1345% (0.98   0.02   0.02) =   0.000%
        T HB    VAL   24 - HA    PRO   68  23.93 +/- 0.59   0.000% *  1.1548% (1.00   0.02   0.02) =   0.000%
    Distance limit 5.12 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 = 33.9:
    * O T HA    PRO   68 - HB2   PRO   68   2.73 +/- 0.00 100.000% * 99.1920% (0.84   2.00  33.91) = 100.000%  kept
        T HA    PRO   68 - HB    VAL   24  23.93 +/- 0.59   0.000% *  0.8080% (0.68   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 767 (2.11, 2.11, 31.99 ppm):
    2 diagonal assignments:
    *     HB2   PRO   68 - HB2   PRO   68  (0.70)  kept
          HB    VAL   24 - HB    VAL   24  (0.68)  kept
 
    Peak 768 (4.68, 4.68, 53.57 ppm):
    1 diagonal assignment:
    *     HA    ASN   69 - HA    ASN   69  (1.00)  kept
 
    Peak 769 (2.90, 4.68, 53.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 61.5:
    * O T HB2   ASN   69 - HA    ASN   69   2.52 +/- 0.25  99.958% * 98.8841% (1.00   3.63  61.48) = 100.000%  kept
          QE    LYS+  33 - HA    ASN   69  11.16 +/- 1.90   0.030% *  0.0840% (0.15   0.02   0.02) =   0.000%
          QE    LYS+  66 - HA    ASN   69  12.03 +/- 1.04   0.012% *  0.1680% (0.31   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   69  23.32 +/- 0.41   0.000% *  0.5337% (0.98   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   69  27.35 +/- 0.32   0.000% *  0.3302% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (2.81, 4.68, 53.57 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 61.5:
    * O T HB3   ASN   69 - HA    ASN   69   2.55 +/- 0.11  99.967% * 98.6355% (1.00   3.31  61.48) = 100.000%  kept
          HB2   PHE   72 - HA    ASN   69  10.05 +/- 0.77   0.031% *  0.4325% (0.73   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASN   69  16.03 +/- 1.04   0.002% *  0.4551% (0.76   0.02   0.02) =   0.000%
          QB    CYS   50 - HA    ASN   69  22.00 +/- 0.35   0.000% *  0.4769% (0.80   0.02   0.02) =   0.000%
    Distance limit 5.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (4.68, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 61.5:
    * O T HA    ASN   69 - HB2   ASN   69   2.52 +/- 0.25  99.996% * 98.9771% (1.00   3.63  61.48) = 100.000%  kept
          HA    VAL   43 - HB2   ASN   69  14.83 +/- 0.71   0.004% *  0.4887% (0.90   0.02   0.02) =   0.000%
          HA    HIS   22 - HB2   ASN   69  23.38 +/- 0.59   0.000% *  0.5342% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.90, 2.90, 37.49 ppm):
    1 diagonal assignment:
    *     HB2   ASN   69 - HB2   ASN   69  (1.00)  kept
 
    Peak 773 (2.81, 2.90, 37.49 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 61.5:
    * O T HB3   ASN   69 - HB2   ASN   69   1.75 +/- 0.00  99.998% * 98.8585% (1.00   3.97  61.48) = 100.000%  kept
          HB2   PHE   72 - HB2   ASN   69  11.47 +/- 0.83   0.001% *  0.3618% (0.73   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASN   69  17.59 +/- 1.03   0.000% *  0.3808% (0.76   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   ASN   69  23.13 +/- 0.60   0.000% *  0.3990% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 774 (4.68, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 61.5:
    * O T HA    ASN   69 - HB3   ASN   69   2.55 +/- 0.11  99.997% * 98.8794% (1.00   3.31  61.48) = 100.000%  kept
          HA    VAL   43 - HB3   ASN   69  14.72 +/- 0.49   0.003% *  0.5354% (0.90   0.02   0.02) =   0.000%
          HA    HIS   22 - HB3   ASN   69  23.25 +/- 0.36   0.000% *  0.5852% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 775 (2.90, 2.81, 37.49 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 61.5:
    * O T HB2   ASN   69 - HB3   ASN   69   1.75 +/- 0.00  99.995% * 98.9775% (1.00   3.97  61.48) = 100.000%  kept
          QE    LYS+  66 - HB3   ASN   69  11.81 +/- 1.57   0.003% *  0.1540% (0.31   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   69  12.19 +/- 1.94   0.002% *  0.0770% (0.15   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   69  24.74 +/- 0.42   0.000% *  0.4890% (0.98   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   69  28.74 +/- 0.35   0.000% *  0.3026% (0.61   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (2.81, 2.81, 37.49 ppm):
    1 diagonal assignment:
    *     HB3   ASN   69 - HB3   ASN   69  (1.00)  kept
 
    Peak 777 (4.01, 4.01, 61.79 ppm):
    3 diagonal assignments:
    *     HA    VAL   70 - HA    VAL   70  (1.00)  kept
          HB2   SER   82 - HB2   SER   82  (0.29)  kept
          HA    SER   48 - HA    SER   48  (0.06)  kept
 
    Peak 778 (2.20, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 83.6:
    * O T HB    VAL   70 - HA    VAL   70   2.98 +/- 0.17  96.880% * 97.0163% (1.00   4.31  83.61) =  99.999%  kept
          HB3   ASP-  76 - HA    SER   48   5.62 +/- 0.58   2.840% *  0.0256% (0.06   0.02   0.02) =   0.001%
        T QG    GLN   17 - HA    VAL   70  10.12 +/- 0.57   0.069% *  0.4459% (0.99   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   SER   82  11.11 +/- 1.13   0.046% *  0.2062% (0.46   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    VAL   70  12.42 +/- 0.43   0.020% *  0.3438% (0.76   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    VAL   70  10.97 +/- 0.73   0.046% *  0.1388% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    VAL   70  10.11 +/- 0.44   0.066% *  0.0890% (0.20   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   SER   82  15.32 +/- 0.73   0.006% *  0.1666% (0.37   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   SER   82  12.81 +/- 0.94   0.017% *  0.0544% (0.12   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    VAL   70  20.45 +/- 0.48   0.001% *  0.4255% (0.95   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   48  16.93 +/- 0.27   0.003% *  0.0783% (0.17   0.02   0.02) =   0.000%
        T QG    GLN   17 - HA    SER   48  18.92 +/- 0.75   0.002% *  0.1016% (0.23   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    SER   48  19.73 +/- 0.63   0.001% *  0.0969% (0.22   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB2   SER   82  22.84 +/- 1.38   0.001% *  0.2161% (0.48   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    VAL   70  20.73 +/- 0.77   0.001% *  0.1122% (0.25   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB2   SER   82  24.48 +/- 0.83   0.000% *  0.2180% (0.48   0.02   0.02) =   0.000%
        T HB    VAL   70 - HA    SER   48  23.25 +/- 0.55   0.000% *  0.1025% (0.23   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   SER   82  25.11 +/- 1.21   0.000% *  0.0673% (0.15   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   SER   82  26.27 +/- 1.30   0.000% *  0.0431% (0.10   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   48  30.91 +/- 0.57   0.000% *  0.0316% (0.07   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   48  31.73 +/- 0.35   0.000% *  0.0203% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 1.0, support = 4.93, residual support = 83.6:
    * O T QG1   VAL   70 - HA    VAL   70   2.55 +/- 0.14  99.076% * 97.0216% (1.00   4.93  83.61) =  99.997%  kept
          QD1   LEU   71 - HA    VAL   70   5.78 +/- 0.09   0.795% *  0.3637% (0.92   0.02  31.50) =   0.003%
        T QG1   VAL   18 - HA    VAL   70   9.20 +/- 0.41   0.048% *  0.3861% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    VAL   70   9.60 +/- 0.81   0.044% *  0.2230% (0.57   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   70  11.16 +/- 0.46   0.016% *  0.2389% (0.61   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   70  12.70 +/- 0.55   0.007% *  0.3637% (0.92   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HA    SER   48  12.28 +/- 0.40   0.008% *  0.0880% (0.22   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HB2   SER   82  16.04 +/- 0.63   0.002% *  0.1871% (0.47   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   SER   82  17.34 +/- 0.91   0.001% *  0.1762% (0.45   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HB2   SER   82  21.60 +/- 0.68   0.000% *  0.1909% (0.48   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    SER   48  19.05 +/- 0.72   0.001% *  0.0828% (0.21   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HA    SER   48  21.07 +/- 0.19   0.000% *  0.0897% (0.23   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    SER   48  20.12 +/- 0.56   0.000% *  0.0508% (0.13   0.02   0.02) =   0.000%
        T QD1   LEU  123 - HA    SER   48  22.86 +/- 0.37   0.000% *  0.0828% (0.21   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   SER   82  24.79 +/- 1.00   0.000% *  0.1158% (0.29   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   SER   82  24.87 +/- 1.13   0.000% *  0.1081% (0.27   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   SER   82  27.58 +/- 0.54   0.000% *  0.1762% (0.45   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    SER   48  26.67 +/- 0.44   0.000% *  0.0544% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 83.6:
    * O T QG2   VAL   70 - HA    VAL   70   2.31 +/- 0.12  99.999% * 99.6451% (0.80   4.00  83.61) = 100.000%  kept
        T QG2   VAL   70 - HB2   SER   82  19.02 +/- 0.69   0.000% *  0.2414% (0.39   0.02   0.02) =   0.000%
        T QG2   VAL   70 - HA    SER   48  19.05 +/- 0.14   0.000% *  0.1135% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (4.01, 2.20, 34.17 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 83.6:
    * O T HA    VAL   70 - HB    VAL   70   2.98 +/- 0.17  86.258% * 97.3361% (1.00   4.31  83.61) =  99.993%  kept
          HA    VAL   18 - QG    GLN   17   5.07 +/- 0.74   5.346% *  0.0576% (0.13   0.02  51.20) =   0.004%
          HA1   GLY   16 - QG    GLN   17   4.60 +/- 0.37   7.615% *  0.0166% (0.04   0.02  18.50) =   0.002%
          HA    VAL   18 - HB    VAL   70   7.80 +/- 0.52   0.302% *  0.3100% (0.69   0.02   0.02) =   0.001%
          HA1   GLY   16 - HB    VAL   70   7.76 +/- 0.76   0.347% *  0.0893% (0.20   0.02   0.02) =   0.000%
          HB2   SER   37 - HB    VAL   70  11.10 +/- 0.78   0.034% *  0.2197% (0.49   0.02   0.02) =   0.000%
        T HA    VAL   70 - QG    GLN   17  10.12 +/- 0.57   0.061% *  0.0838% (0.19   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   70  14.12 +/- 0.44   0.008% *  0.3915% (0.87   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   70  16.13 +/- 0.42   0.004% *  0.4513% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   70  17.47 +/- 0.31   0.002% *  0.3277% (0.73   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    GLN   17  15.17 +/- 1.46   0.006% *  0.0727% (0.16   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    GLN   17  13.97 +/- 1.25   0.009% *  0.0408% (0.09   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    GLN   17  16.43 +/- 1.67   0.004% *  0.0609% (0.13   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    GLN   17  19.75 +/- 0.77   0.001% *  0.0838% (0.19   0.02   0.02) =   0.000%
        T HB2   SER   82 - HB    VAL   70  24.48 +/- 0.83   0.000% *  0.2737% (0.61   0.02   0.02) =   0.000%
        T HA    SER   48 - HB    VAL   70  23.25 +/- 0.55   0.000% *  0.1125% (0.25   0.02   0.02) =   0.000%
        T HA    SER   48 - QG    GLN   17  18.92 +/- 0.75   0.001% *  0.0209% (0.05   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG    GLN   17  22.84 +/- 1.38   0.000% *  0.0508% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 782 (2.20, 2.20, 34.17 ppm):
    2 diagonal assignments:
    *     HB    VAL   70 - HB    VAL   70  (1.00)  kept
          QG    GLN   17 - QG    GLN   17  (0.18)  kept
 
    Peak 783 (0.86, 2.20, 34.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.36, residual support = 83.6:
    * O T QG1   VAL   70 - HB    VAL   70   2.14 +/- 0.00  99.263% * 98.1959% (1.00   5.36  83.61) =  99.999%  kept
          HB3   LEU   63 - HB    VAL   70   6.74 +/- 0.82   0.128% *  0.2073% (0.57   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG    GLN   17   5.68 +/- 0.57   0.344% *  0.0667% (0.18   0.02  51.20) =   0.000%
          QD1   LEU   71 - HB    VAL   70   7.31 +/- 0.23   0.064% *  0.3380% (0.92   0.02  31.50) =   0.000%
          QG1   VAL   18 - HB    VAL   70   8.22 +/- 0.55   0.033% *  0.3589% (0.98   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG    GLN   17   7.14 +/- 1.25   0.134% *  0.0628% (0.17   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB    VAL   70  10.63 +/- 0.54   0.007% *  0.3380% (0.92   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   70  10.64 +/- 0.60   0.007% *  0.2221% (0.61   0.02   0.02) =   0.000%
        T QG1   VAL   70 - QG    GLN   17   9.42 +/- 0.34   0.014% *  0.0680% (0.19   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG    GLN   17  11.55 +/- 0.61   0.004% *  0.0385% (0.11   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG    GLN   17  14.36 +/- 0.84   0.001% *  0.0628% (0.17   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG    GLN   17  18.89 +/- 0.59   0.000% *  0.0412% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 784 (0.19, 2.20, 34.17 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 83.6:
    * O T QG2   VAL   70 - HB    VAL   70   2.12 +/- 0.01  99.983% * 99.9139% (0.80   4.31  83.61) = 100.000%  kept
        T QG2   VAL   70 - QG    GLN   17   9.07 +/- 0.46   0.017% *  0.0861% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 785 (4.01, 0.86, 24.07 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.93, residual support = 83.6:
    * O T HA    VAL   70 - QG1   VAL   70   2.55 +/- 0.14  99.596% * 98.0801% (1.00   4.93  83.61) =  99.999%  kept
        T HA    VAL   18 - QG1   VAL   70   8.37 +/- 0.28   0.096% *  0.2736% (0.69   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG1   VAL   70   7.36 +/- 0.63   0.229% *  0.0788% (0.20   0.02   0.02) =   0.000%
          HB2   SER   37 - QG1   VAL   70   8.91 +/- 0.46   0.062% *  0.1938% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   70  11.96 +/- 0.31   0.010% *  0.3454% (0.87   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   70  13.57 +/- 0.34   0.005% *  0.3982% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   70  15.35 +/- 0.23   0.002% *  0.2892% (0.73   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   70  21.60 +/- 0.68   0.000% *  0.2415% (0.61   0.02   0.02) =   0.000%
        T HA    SER   48 - QG1   VAL   70  21.07 +/- 0.19   0.000% *  0.0993% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 786 (2.20, 0.86, 24.07 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.36, residual support = 83.6:
    * O T HB    VAL   70 - QG1   VAL   70   2.14 +/- 0.00  99.947% * 98.7274% (1.00   5.36  83.61) = 100.000%  kept
        T QG    GLN   17 - QG1   VAL   70   9.42 +/- 0.34   0.014% *  0.3648% (0.99   0.02   0.02) =   0.000%
          HB2   MET   96 - QG1   VAL   70  10.41 +/- 0.34   0.008% *  0.2813% (0.76   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG1   VAL   70   9.52 +/- 0.60   0.015% *  0.1136% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG1   VAL   70   9.16 +/- 0.35   0.017% *  0.0728% (0.20   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG1   VAL   70  19.15 +/- 0.35   0.000% *  0.3482% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG1   VAL   70  18.13 +/- 0.59   0.000% *  0.0918% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 4.93, residual support = 83.6:
    * O T QG2   VAL   70 - QG1   VAL   70   2.08 +/- 0.03 100.000% *100.0000% (0.80   4.93  83.61) = 100.000%  kept
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (4.01, 0.19, 22.28 ppm):
    9 chemical-shift based assignments, quality = 0.536, support = 4.0, residual support = 83.6:
    * O T HA    VAL   70 - QG2   VAL   70   2.31 +/- 0.12  99.702% * 97.6462% (0.54   4.00  83.61) =  99.999%  kept
          HA    VAL   18 - QG2   VAL   70   6.91 +/- 0.24   0.156% *  0.3354% (0.37   0.02   0.02) =   0.001%
          HB2   SER   37 - QG2   VAL   70   8.26 +/- 0.46   0.056% *  0.2376% (0.26   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG2   VAL   70   7.99 +/- 0.58   0.069% *  0.0966% (0.11   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   70  10.52 +/- 0.30   0.012% *  0.4235% (0.47   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   70  13.79 +/- 0.29   0.002% *  0.4882% (0.54   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   70  13.23 +/- 0.20   0.003% *  0.3545% (0.39   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG2   VAL   70  19.02 +/- 0.69   0.000% *  0.2961% (0.33   0.02   0.02) =   0.000%
        T HA    SER   48 - QG2   VAL   70  19.05 +/- 0.14   0.000% *  0.1217% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (2.20, 0.19, 22.28 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 4.31, residual support = 83.6:
    * O T HB    VAL   70 - QG2   VAL   70   2.12 +/- 0.01  99.915% * 98.4222% (0.54   4.31  83.61) = 100.000%  kept
          HB2   MET   96 - QG2   VAL   70   8.19 +/- 0.36   0.031% *  0.3488% (0.41   0.02   0.02) =   0.000%
        T QG    GLN   17 - QG2   VAL   70   9.07 +/- 0.46   0.017% *  0.4523% (0.53   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   VAL   70   9.06 +/- 0.60   0.019% *  0.1409% (0.17   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG2   VAL   70   9.00 +/- 0.18   0.017% *  0.0903% (0.11   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG2   VAL   70  16.78 +/- 0.34   0.000% *  0.4317% (0.51   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   VAL   70  15.91 +/- 0.58   0.001% *  0.1138% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 791 (0.86, 0.19, 22.28 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.93, residual support = 83.6:
    * O T QG1   VAL   70 - QG2   VAL   70   2.08 +/- 0.03  99.407% * 98.4022% (0.54   4.93  83.61) =  99.998%  kept
          QD1   LEU   71 - QG2   VAL   70   5.57 +/- 0.19   0.278% *  0.3688% (0.50   0.02  31.50) =   0.001%
          HB3   LEU   63 - QG2   VAL   70   6.20 +/- 0.77   0.182% *  0.2262% (0.30   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL   70   6.94 +/- 0.40   0.077% *  0.3916% (0.53   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG2   VAL   70   7.53 +/- 0.36   0.046% *  0.2423% (0.33   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   70   9.65 +/- 0.41   0.010% *  0.3688% (0.50   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 792 (0.19, 0.19, 22.28 ppm):
    1 diagonal assignment:
    *     QG2   VAL   70 - QG2   VAL   70  (0.43)  kept
 
    Peak 793 (4.65, 4.65, 54.05 ppm):
    1 diagonal assignment:
    *     HA    LEU   71 - HA    LEU   71  (1.00)  kept
 
    Peak 794 (1.80, 4.65, 54.05 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 126.7:
    * O T HB2   LEU   71 - HA    LEU   71   2.88 +/- 0.15  99.382% * 98.3317% (1.00   5.31 126.69) =  99.999%  kept
          HB3   GLN   17 - HA    LEU   71   7.81 +/- 0.63   0.280% *  0.2398% (0.65   0.02   0.02) =   0.001%
          HB    VAL   41 - HA    LEU   71   8.69 +/- 1.02   0.228% *  0.1264% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LEU   71  10.18 +/- 0.30   0.052% *  0.3699% (1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LEU   71  10.33 +/- 0.22   0.048% *  0.1950% (0.53   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   71  15.57 +/- 0.62   0.004% *  0.3578% (0.97   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   71  15.64 +/- 0.77   0.004% *  0.0825% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   71  19.29 +/- 0.40   0.001% *  0.2968% (0.80   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 126.7:
    * O T HB3   LEU   71 - HA    LEU   71   2.77 +/- 0.13  99.992% * 98.5254% (1.00   4.31 126.69) = 100.000%  kept
          QG2   THR   94 - HA    LEU   71  14.11 +/- 0.31   0.006% *  0.3317% (0.73   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LEU   71  18.50 +/- 0.19   0.001% *  0.1715% (0.38   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    LEU   71  23.09 +/- 0.35   0.000% *  0.4528% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    LEU   71  23.32 +/- 0.35   0.000% *  0.3138% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LEU   71  23.85 +/- 0.25   0.000% *  0.2048% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 0.993, support = 4.05, residual support = 118.0:
    *   T QD1   LEU   71 - HA    LEU   71   3.71 +/- 0.27  87.145% * 47.2099% (1.00   3.98 126.69) =  90.898%  kept
          QG1   VAL   70 - HA    LEU   71   5.60 +/- 0.17   7.893% * 52.0763% (0.92   4.76  31.50) =   9.081%  kept
          QG1   VAL   18 - HA    LEU   71   6.15 +/- 0.41   4.614% *  0.1980% (0.84   0.02   0.02) =   0.020%
          HB3   LEU   63 - HA    LEU   71   9.95 +/- 1.10   0.292% *  0.0808% (0.34   0.02   0.02) =   0.001%
          QD1   LEU  123 - HA    LEU   71  14.31 +/- 0.57   0.028% *  0.2370% (1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU   71  14.26 +/- 0.42   0.029% *  0.1980% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 797 (0.96, 4.65, 54.05 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 126.7:
    *   T QD2   LEU   71 - HA    LEU   71   2.08 +/- 0.26  99.828% * 98.4406% (1.00   5.00 126.69) = 100.000%  kept
          QD1   LEU   67 - HA    LEU   71   6.83 +/- 0.14   0.113% *  0.1765% (0.45   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    LEU   71   7.77 +/- 0.57   0.052% *  0.1619% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    LEU   71  11.89 +/- 0.69   0.004% *  0.2705% (0.69   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    LEU   71  14.08 +/- 0.56   0.001% *  0.3860% (0.98   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    LEU   71  14.76 +/- 0.37   0.001% *  0.3416% (0.87   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    LEU   71  14.02 +/- 0.41   0.001% *  0.2229% (0.57   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 126.7:
    * O T HA    LEU   71 - HB2   LEU   71   2.88 +/- 0.15  99.744% * 99.7751% (1.00   5.31 126.69) = 100.000%  kept
          HA    VAL   43 - HB2   LEU   71   8.35 +/- 0.70   0.211% *  0.0837% (0.22   0.02   0.02) =   0.000%
          HA    ALA   20 - HB2   LEU   71  10.67 +/- 0.63   0.045% *  0.1412% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 126.7:
    * O T HB3   LEU   71 - HB2   LEU   71   1.75 +/- 0.00  99.999% * 98.7189% (1.00   4.97 126.69) = 100.000%  kept
          QG2   THR   94 - HB2   LEU   71  13.96 +/- 0.75   0.000% *  0.2882% (0.73   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LEU   71  17.72 +/- 0.82   0.000% *  0.1490% (0.38   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB2   LEU   71  24.74 +/- 0.43   0.000% *  0.3934% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB2   LEU   71  24.74 +/- 0.35   0.000% *  0.2726% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LEU   71  24.53 +/- 0.51   0.000% *  0.1779% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 801 (0.86, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.92, residual support = 126.7:
    * O T QD1   LEU   71 - HB2   LEU   71   2.39 +/- 0.07  99.555% * 98.4266% (1.00   4.92 126.69) =  99.998%  kept
          QG1   VAL   70 - HB2   LEU   71   6.38 +/- 0.24   0.292% *  0.3691% (0.92   0.02  31.50) =   0.001%
          QG1   VAL   18 - HB2   LEU   71   7.29 +/- 0.54   0.141% *  0.3340% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU   71  11.70 +/- 1.04   0.008% *  0.1364% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU   71  13.79 +/- 0.50   0.003% *  0.3340% (0.84   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   71  15.81 +/- 0.58   0.001% *  0.3999% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 802 (0.96, 1.80, 44.15 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 126.7:
    * O T QD2   LEU   71 - HB2   LEU   71   3.21 +/- 0.01  98.601% * 98.5650% (1.00   5.44 126.69) =  99.998%  kept
          QD2   LEU   40 - HB2   LEU   71   7.29 +/- 0.72   0.907% *  0.1490% (0.41   0.02   0.02) =   0.001%
          QD1   LEU   67 - HB2   LEU   71   7.99 +/- 0.17   0.416% *  0.1625% (0.45   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LEU   71  13.02 +/- 0.92   0.024% *  0.3552% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   71  12.83 +/- 0.84   0.026% *  0.2489% (0.69   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   71  13.27 +/- 0.75   0.021% *  0.2052% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LEU   71  16.26 +/- 0.32   0.006% *  0.3143% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 126.7:
    * O T HA    LEU   71 - HB3   LEU   71   2.77 +/- 0.13  99.871% * 99.7235% (1.00   4.31 126.69) = 100.000%  kept
          HA    VAL   43 - HB3   LEU   71   9.10 +/- 0.59   0.104% *  0.1029% (0.22   0.02   0.02) =   0.000%
          HA    ALA   20 - HB3   LEU   71  11.32 +/- 0.53   0.025% *  0.1735% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.45 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 = 126.7:
    * O T HB2   LEU   71 - HB3   LEU   71   1.75 +/- 0.00  99.956% * 98.2229% (1.00   4.97 126.69) = 100.000%  kept
          HB    VAL   41 - HB3   LEU   71   7.41 +/- 1.09   0.038% *  0.1347% (0.34   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   LEU   71   9.97 +/- 0.77   0.003% *  0.2555% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB3   LEU   71  12.46 +/- 0.26   0.001% *  0.3940% (1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   LEU   71  12.12 +/- 0.20   0.001% *  0.2078% (0.53   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   LEU   71  14.27 +/- 0.73   0.000% *  0.3811% (0.97   0.02   0.02) =   0.000%
        T HG12  ILE  103 - HB3   LEU   71  14.71 +/- 0.67   0.000% *  0.0879% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   LEU   71  20.82 +/- 0.64   0.000% *  0.3162% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 805 (1.20, 1.20, 44.15 ppm):
    1 diagonal assignment:
    *     HB3   LEU   71 - HB3   LEU   71  (1.00)  kept
 
    Peak 806 (0.86, 1.20, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.67, residual support = 126.7:
    * O T QD1   LEU   71 - HB3   LEU   71   2.35 +/- 0.21  99.465% * 97.9011% (1.00   3.67 126.69) =  99.997%  kept
          QG1   VAL   70 - HB3   LEU   71   6.06 +/- 0.24   0.417% *  0.4924% (0.92   0.02  31.50) =   0.002%
          QG1   VAL   18 - HB3   LEU   71   7.75 +/- 0.52   0.106% *  0.4455% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB3   LEU   71  11.82 +/- 1.07   0.008% *  0.1820% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU   71  13.83 +/- 0.46   0.003% *  0.4455% (0.84   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB3   LEU   71  15.70 +/- 0.55   0.001% *  0.5334% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 807 (0.96, 1.20, 44.15 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 126.7:
    * O T QD2   LEU   71 - HB3   LEU   71   2.44 +/- 0.10  99.741% * 98.2480% (1.00   4.44 126.69) =  99.999%  kept
          QD2   LEU   40 - HB3   LEU   71   7.39 +/- 0.64   0.159% *  0.1819% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB3   LEU   71   7.93 +/- 0.14   0.087% *  0.1983% (0.45   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB3   LEU   71  13.46 +/- 0.69   0.004% *  0.4337% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LEU   71  13.47 +/- 0.61   0.004% *  0.3039% (0.69   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB3   LEU   71  13.60 +/- 0.37   0.003% *  0.2505% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB3   LEU   71  16.27 +/- 0.30   0.001% *  0.3838% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 3.98, residual support = 126.7:
    *   T HA    LEU   71 - QD1   LEU   71   3.71 +/- 0.27  98.604% * 99.7007% (1.00   3.98 126.69) =  99.998%  kept
          HA    ALA   20 - QD1   LEU   71   8.55 +/- 0.58   0.672% *  0.1879% (0.38   0.02   0.02) =   0.001%
          HA    VAL   43 - QD1   LEU   71   8.43 +/- 0.59   0.725% *  0.1114% (0.22   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 809 (1.80, 0.86, 26.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.92, residual support = 126.7:
    * O T HB2   LEU   71 - QD1   LEU   71   2.39 +/- 0.07  99.639% * 98.2045% (1.00   4.92 126.69) =  99.999%  kept
          HB    VAL   41 - QD1   LEU   71   7.39 +/- 1.11   0.248% *  0.1361% (0.34   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD1   LEU   71   7.97 +/- 0.89   0.090% *  0.2581% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD1   LEU   71  11.49 +/- 0.46   0.009% *  0.3981% (1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD1   LEU   71  11.78 +/- 0.36   0.007% *  0.2099% (0.53   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD1   LEU   71  13.20 +/- 0.65   0.004% *  0.3850% (0.97   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU   71  13.55 +/- 0.62   0.003% *  0.0888% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD1   LEU   71  18.40 +/- 0.71   0.001% *  0.3195% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 810 (1.20, 0.86, 26.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.67, residual support = 126.7:
    * O T HB3   LEU   71 - QD1   LEU   71   2.35 +/- 0.21  99.992% * 98.2717% (1.00   3.67 126.69) = 100.000%  kept
          QG2   THR   94 - QD1   LEU   71  13.02 +/- 0.54   0.005% *  0.3888% (0.73   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   LEU   71  15.96 +/- 0.58   0.002% *  0.2010% (0.38   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   LEU   71  22.41 +/- 0.63   0.000% *  0.5307% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD1   LEU   71  22.55 +/- 0.62   0.000% *  0.3678% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   LEU   71  22.33 +/- 0.64   0.000% *  0.2401% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 1.0, support = 4.11, residual support = 126.7:
    * O T QD2   LEU   71 - QD1   LEU   71   2.04 +/- 0.06  99.935% * 98.1102% (1.00   4.11 126.69) = 100.000%  kept
          QD2   LEU   40 - QD1   LEU   71   7.85 +/- 0.56   0.035% *  0.1962% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD1   LEU   71   8.42 +/- 0.32   0.021% *  0.2140% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   LEU   71  11.02 +/- 0.69   0.004% *  0.3278% (0.69   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD1   LEU   71  12.25 +/- 0.61   0.002% *  0.4678% (0.98   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   LEU   71  12.68 +/- 0.44   0.002% *  0.2702% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD1   LEU   71  15.20 +/- 0.51   0.001% *  0.4140% (0.87   0.02   0.02) =   0.000%
    Distance limit 2.50 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 = 126.7:
    *   T HA    LEU   71 - QD2   LEU   71   2.08 +/- 0.26  99.797% * 99.7614% (1.00   5.00 126.69) = 100.000%  kept
          HA    ALA   20 - QD2   LEU   71   8.01 +/- 0.84   0.091% *  0.1498% (0.38   0.02   0.02) =   0.000%
          HA    VAL   43 - QD2   LEU   71   7.99 +/- 0.89   0.112% *  0.0888% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 814 (1.80, 0.96, 23.45 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 126.7:
    * O T HB2   LEU   71 - QD2   LEU   71   3.21 +/- 0.01  96.321% * 98.3724% (1.00   5.44 126.69) =  99.991%  kept
          HB3   GLN   17 - QD2   LEU   71   5.97 +/- 0.74   2.942% *  0.2340% (0.65   0.02   0.02) =   0.007%
          HB    VAL   41 - QD2   LEU   71   8.27 +/- 0.93   0.456% *  0.1234% (0.34   0.02   0.02) =   0.001%
          QB    LYS+  65 - QD2   LEU   71   9.49 +/- 0.41   0.149% *  0.3609% (1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD2   LEU   71  10.08 +/- 0.26   0.101% *  0.1903% (0.53   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD2   LEU   71  14.03 +/- 0.65   0.014% *  0.3490% (0.97   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU   71  17.32 +/- 0.85   0.004% *  0.2896% (0.80   0.02   0.02) =   0.000%
        T HG12  ILE  103 - QD2   LEU   71  14.25 +/- 0.67   0.013% *  0.0805% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 815 (1.20, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 126.7:
    * O T HB3   LEU   71 - QD2   LEU   71   2.44 +/- 0.10  99.993% * 98.5673% (1.00   4.44 126.69) = 100.000%  kept
          QG2   THR   94 - QD2   LEU   71  12.81 +/- 0.67   0.005% *  0.3223% (0.73   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD2   LEU   71  16.24 +/- 0.96   0.001% *  0.1666% (0.38   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD2   LEU   71  20.81 +/- 0.53   0.000% *  0.4399% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD2   LEU   71  21.10 +/- 0.59   0.000% *  0.3049% (0.69   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD2   LEU   71  21.43 +/- 0.72   0.000% *  0.1990% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 816 (0.86, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.11, residual support = 126.7:
    * O T QD1   LEU   71 - QD2   LEU   71   2.04 +/- 0.06  99.406% * 98.1220% (1.00   4.11 126.69) =  99.998%  kept
          QG1   VAL   18 - QD2   LEU   71   5.34 +/- 0.65   0.424% *  0.3987% (0.84   0.02   0.02) =   0.002%
          QG1   VAL   70 - QD2   LEU   71   6.05 +/- 0.37   0.159% *  0.4406% (0.92   0.02  31.50) =   0.001%
          HB3   LEU   63 - QD2   LEU   71  10.06 +/- 1.00   0.008% *  0.1628% (0.34   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU   71  13.42 +/- 0.45   0.001% *  0.4773% (1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU   71  13.55 +/- 0.41   0.001% *  0.3987% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.68 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 = 3.43, residual support = 81.5:
    * O T HB2   PHE   72 - HA    PHE   72   2.89 +/- 0.19  98.409% * 99.2380% (0.64   3.43  81.46) =  99.992%  kept
          HA    ALA   64 - HA    PHE   72   5.83 +/- 0.18   1.556% *  0.5024% (0.55   0.02  40.06) =   0.008%
          HB3   ASN   69 - HA    PHE   72  11.01 +/- 0.29   0.035% *  0.2597% (0.29   0.02   0.02) =   0.000%
    Distance limit 4.55 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 = 4.26, residual support = 81.5:
    * O T HB3   PHE   72 - HA    PHE   72   2.85 +/- 0.19  98.944% * 97.3295% (0.66   4.26  81.46) =  99.995%  kept
          HB2   ASP-  44 - HA    PHE   72   6.44 +/- 0.45   0.881% *  0.4988% (0.72   0.02   0.02) =   0.005%
          QG    GLU-  15 - HA    PHE   72   9.33 +/- 1.44   0.129% *  0.5226% (0.76   0.02   0.02) =   0.001%
          QG    GLU-  14 - HA    PHE   72  12.02 +/- 1.13   0.026% *  0.4868% (0.71   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    PHE   72  16.24 +/- 0.82   0.003% *  0.4222% (0.61   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    PHE   72  14.83 +/- 0.68   0.005% *  0.2364% (0.34   0.02   0.02) =   0.000%
          QB    MET   11 - HA    PHE   72  18.94 +/- 2.21   0.002% *  0.4222% (0.61   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    PHE   72  13.63 +/- 0.34   0.009% *  0.0814% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 3.43, residual support = 81.5:
    * O T HA    PHE   72 - HB2   PHE   72   2.89 +/- 0.19 100.000% *100.0000% (0.64   3.43  81.46) = 100.000%  kept
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (2.83, 2.83, 40.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   72 - HB2   PHE   72  (0.70)  kept
 
    Peak 823 (2.28, 2.83, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.725, support = 3.56, residual support = 81.5:
    * O T HB3   PHE   72 - HB2   PHE   72   1.75 +/- 0.00  99.859% * 96.8209% (0.72   3.56  81.46) =  99.999%  kept
          HB2   ASP-  44 - HB2   PHE   72   5.88 +/- 1.06   0.128% *  0.5938% (0.79   0.02   0.02) =   0.001%
          QG    GLU-  15 - HB2   PHE   72   8.97 +/- 1.46   0.010% *  0.6222% (0.83   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   PHE   72  11.35 +/- 1.35   0.002% *  0.5795% (0.77   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   PHE   72  14.34 +/- 0.81   0.000% *  0.2814% (0.37   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   PHE   72  16.92 +/- 1.27   0.000% *  0.5027% (0.67   0.02   0.02) =   0.000%
          QB    MET   11 - HB2   PHE   72  18.36 +/- 2.17   0.000% *  0.5027% (0.67   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   PHE   72  15.07 +/- 0.37   0.000% *  0.0969% (0.13   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 4.26, residual support = 81.5:
    * O T HA    PHE   72 - HB3   PHE   72   2.85 +/- 0.19 100.000% *100.0000% (0.66   4.26  81.46) = 100.000%  kept
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 825 (2.83, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.725, support = 3.56, residual support = 81.5:
    * O T HB2   PHE   72 - HB3   PHE   72   1.75 +/- 0.00  99.577% * 99.2638% (0.72   3.56  81.46) =  99.998%  kept
          HA    ALA   64 - HB3   PHE   72   4.49 +/- 0.41   0.422% *  0.4853% (0.63   0.02  40.06) =   0.002%
          HB3   ASN   69 - HB3   PHE   72  11.54 +/- 0.67   0.001% *  0.2508% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 163.4:
    * O T HB2   LEU   73 - HA    LEU   73   2.82 +/- 0.26  99.963% * 97.6842% (1.00   5.00 163.42) = 100.000%  kept
          QD    LYS+  99 - HA    LEU   73  14.23 +/- 0.88   0.008% *  0.3607% (0.92   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LEU   73  15.28 +/- 1.18   0.005% *  0.3696% (0.95   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    LEU   73  13.66 +/- 0.23   0.009% *  0.1206% (0.31   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU   73  15.58 +/- 0.36   0.004% *  0.2370% (0.61   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU   73  17.51 +/- 0.60   0.002% *  0.3771% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LEU   73  14.43 +/- 0.70   0.007% *  0.0870% (0.22   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU   73  18.05 +/- 0.90   0.002% *  0.1606% (0.41   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU   73  23.10 +/- 0.27   0.000% *  0.3504% (0.90   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LEU   73  22.23 +/- 0.53   0.000% *  0.2528% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 829 (1.38, 5.57, 52.40 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 163.4:
    * O T HB3   LEU   73 - HA    LEU   73   2.57 +/- 0.30  97.292% * 96.7713% (1.00   5.00 163.42) =  99.997%  kept
          HB3   LYS+  74 - HA    LEU   73   4.92 +/- 0.13   2.444% *  0.0678% (0.18   0.02  45.28) =   0.002%
          HB    VAL   42 - HA    LEU   73   7.53 +/- 0.50   0.173% *  0.3837% (0.99   0.02   1.86) =   0.001%
          HG3   LYS+  33 - HA    LEU   73  11.13 +/- 0.62   0.022% *  0.3736% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   73  12.92 +/- 1.13   0.009% *  0.3837% (0.99   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LEU   73  10.81 +/- 0.59   0.020% *  0.1453% (0.38   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   73  11.13 +/- 0.21   0.017% *  0.1320% (0.34   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   73  12.52 +/- 1.02   0.011% *  0.0965% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   73  13.61 +/- 0.38   0.006% *  0.1453% (0.38   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   73  15.32 +/- 1.69   0.003% *  0.2504% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   73  16.15 +/- 0.84   0.002% *  0.3573% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LEU   73  19.89 +/- 0.96   0.001% *  0.3862% (1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LEU   73  22.58 +/- 0.28   0.000% *  0.3794% (0.98   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LEU   73  18.36 +/- 0.66   0.001% *  0.0597% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   73  20.21 +/- 0.71   0.001% *  0.0678% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 830 (0.58, 5.57, 52.40 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 163.4:
    *   T QD1   LEU   73 - HA    LEU   73   3.61 +/- 0.23  98.641% * 98.4471% (1.00   5.00 163.42) =  99.996%  kept
          QD2   LEU   80 - HA    LEU   73   8.75 +/- 0.96   0.631% *  0.3153% (0.80   0.02   0.02) =   0.002%
        T QD1   LEU   63 - HA    LEU   73   9.75 +/- 0.59   0.312% *  0.3938% (1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HA    LEU   73  10.92 +/- 0.59   0.155% *  0.2229% (0.57   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   73  10.31 +/- 0.82   0.206% *  0.0690% (0.18   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HA    LEU   73  13.73 +/- 0.68   0.035% *  0.2229% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU   73  15.11 +/- 0.60   0.021% *  0.3289% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 831 (0.78, 5.57, 52.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.87, residual support = 163.4:
    *   T QD2   LEU   73 - HA    LEU   73   2.05 +/- 0.33  99.171% * 99.0115% (1.00   5.87 163.42) =  99.999%  kept
          QG1   VAL   43 - HA    LEU   73   5.00 +/- 0.91   0.779% *  0.0938% (0.28   0.02   9.57) =   0.001%
          HG    LEU   31 - HA    LEU   73   9.19 +/- 0.95   0.021% *  0.3257% (0.97   0.02   1.38) =   0.000%
          QG1   VAL   41 - HA    LEU   73   8.38 +/- 0.41   0.027% *  0.1513% (0.45   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LEU   73  14.66 +/- 0.22   0.001% *  0.3026% (0.90   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LEU   73  19.22 +/- 0.66   0.000% *  0.1151% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 832 (5.57, 1.70, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 163.4:
    * O T HA    LEU   73 - HB2   LEU   73   2.82 +/- 0.26 100.000% *100.0000% (1.00   5.00 163.42) = 100.000%  kept
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 833 (1.70, 1.70, 46.21 ppm):
    1 diagonal assignment:
    *     HB2   LEU   73 - HB2   LEU   73  (1.00)  kept
 
    Peak 834 (1.38, 1.70, 46.21 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 163.4:
    * O T HB3   LEU   73 - HB2   LEU   73   1.75 +/- 0.00  99.892% * 96.7713% (1.00   5.00 163.42) = 100.000%  kept
          HB    VAL   42 - HB2   LEU   73   7.53 +/- 0.89   0.021% *  0.3837% (0.99   0.02   1.86) =   0.000%
          HB3   LYS+  74 - HB2   LEU   73   6.06 +/- 0.50   0.069% *  0.0678% (0.18   0.02  45.28) =   0.000%
          QB    LEU   98 - HB2   LEU   73   9.12 +/- 1.07   0.007% *  0.1453% (0.38   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB2   LEU   73  11.08 +/- 0.83   0.002% *  0.3736% (0.97   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LEU   73   9.49 +/- 0.41   0.004% *  0.1320% (0.34   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LEU   73  10.58 +/- 1.23   0.003% *  0.0965% (0.25   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   LEU   73  14.38 +/- 1.19   0.000% *  0.3573% (0.92   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB2   LEU   73  15.01 +/- 1.17   0.000% *  0.3837% (0.99   0.02   0.02) =   0.000%
        T HB3   PRO   93 - HB2   LEU   73  13.10 +/- 0.61   0.001% *  0.1453% (0.38   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   LEU   73  17.09 +/- 1.56   0.000% *  0.2504% (0.65   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   LEU   73  18.06 +/- 1.39   0.000% *  0.3862% (1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   LEU   73  22.32 +/- 0.65   0.000% *  0.3794% (0.98   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   LEU   73  17.75 +/- 1.03   0.000% *  0.0597% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LEU   73  20.78 +/- 0.63   0.000% *  0.0678% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 835 (0.58, 1.70, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 163.4:
    * O T QD1   LEU   73 - HB2   LEU   73   2.65 +/- 0.18  99.498% * 98.4470% (1.00   5.00 163.42) =  99.999%  kept
          QD2   LEU   80 - HB2   LEU   73   7.42 +/- 1.08   0.291% *  0.3153% (0.80   0.02   0.02) =   0.001%
        T QD1   LEU   63 - HB2   LEU   73   9.91 +/- 0.66   0.043% *  0.3938% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   73   8.43 +/- 0.78   0.134% *  0.0690% (0.18   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   73  11.23 +/- 0.77   0.020% *  0.2230% (0.57   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB2   LEU   73  12.89 +/- 1.01   0.010% *  0.2230% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU   73  15.14 +/- 0.72   0.003% *  0.3289% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.901, support = 5.4, residual support = 142.2:
    * O T QD2   LEU   73 - HB2   LEU   73   3.10 +/- 0.11  41.779% * 88.9266% (1.00   5.87 163.42) =  86.237%  kept
          QG1   VAL   43 - HB2   LEU   73   3.16 +/- 1.30  57.727% * 10.2698% (0.28   2.44   9.57) =  13.761%  kept
          HG    LEU   31 - HB2   LEU   73   7.22 +/- 0.83   0.295% *  0.2925% (0.97   0.02   1.38) =   0.002%
          QG1   VAL   41 - HB2   LEU   73   7.36 +/- 0.64   0.195% *  0.1359% (0.45   0.02   0.02) =   0.001%
        T QD1   ILE   56 - HB2   LEU   73  14.54 +/- 0.49   0.004% *  0.2718% (0.90   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB2   LEU   73  18.75 +/- 1.11   0.001% *  0.1034% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 837 (5.57, 1.38, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 163.4:
    * O T HA    LEU   73 - HB3   LEU   73   2.57 +/- 0.30 100.000% *100.0000% (1.00   5.00 163.42) = 100.000%  kept
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 838 (1.70, 1.38, 46.21 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 163.4:
    * O T HB2   LEU   73 - HB3   LEU   73   1.75 +/- 0.00  99.998% * 97.6842% (1.00   5.00 163.42) = 100.000%  kept
          QD    LYS+ 106 - HB3   LEU   73  14.12 +/- 1.30   0.000% *  0.3696% (0.95   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU   73  13.89 +/- 0.86   0.000% *  0.3607% (0.92   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU   73  16.97 +/- 0.67   0.000% *  0.3771% (0.97   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB3   LEU   73  14.03 +/- 0.57   0.000% *  0.1206% (0.31   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU   73  15.70 +/- 0.59   0.000% *  0.2370% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   LEU   73  13.77 +/- 0.81   0.000% *  0.0870% (0.22   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB3   LEU   73  16.68 +/- 1.08   0.000% *  0.1606% (0.41   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU   73  22.79 +/- 0.67   0.000% *  0.3504% (0.90   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LEU   73  23.03 +/- 0.86   0.000% *  0.2528% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 839 (1.38, 1.38, 46.21 ppm):
    1 diagonal assignment:
    *     HB3   LEU   73 - HB3   LEU   73  (1.00)  kept
 
    Peak 840 (0.58, 1.38, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.95, residual support = 163.4:
    * O T QD1   LEU   73 - HB3   LEU   73   2.09 +/- 0.16  99.841% * 98.4320% (1.00   4.95 163.42) = 100.000%  kept
        T QD2   LEU   80 - HB3   LEU   73   7.26 +/- 0.97   0.113% *  0.3184% (0.80   0.02   0.02) =   0.000%
        T QD1   LEU   63 - HB3   LEU   73  10.30 +/- 0.70   0.011% *  0.3976% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   73   8.42 +/- 0.82   0.028% *  0.0696% (0.18   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   LEU   73  11.62 +/- 0.72   0.005% *  0.2251% (0.57   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   73  13.22 +/- 0.79   0.002% *  0.2251% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   73  15.58 +/- 0.78   0.001% *  0.3321% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 841 (0.78, 1.38, 46.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.87, residual support = 163.3:
    * O T QD2   LEU   73 - HB3   LEU   73   2.75 +/- 0.15  70.818% * 99.0115% (1.00   5.87 163.42) =  99.959%  kept
        T QG1   VAL   43 - HB3   LEU   73   3.64 +/- 1.09  28.580% *  0.0938% (0.28   0.02   9.57) =   0.038%
          HG    LEU   31 - HB3   LEU   73   7.15 +/- 0.86   0.416% *  0.3257% (0.97   0.02   1.38) =   0.002%
          QG1   VAL   41 - HB3   LEU   73   7.51 +/- 0.54   0.182% *  0.1513% (0.45   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LEU   73  14.97 +/- 0.53   0.003% *  0.3026% (0.90   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB3   LEU   73  19.25 +/- 1.04   0.001% *  0.1151% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 842 (5.57, 0.58, 26.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 163.4:
    *   T HA    LEU   73 - QD1   LEU   73   3.61 +/- 0.23  99.648% * 99.5046% (1.00   5.00 163.42) =  99.999%  kept
        T HA    LEU   73 - QD1   LEU   63   9.75 +/- 0.59   0.316% *  0.3980% (1.00   0.02   0.02) =   0.001%
        T HA    LEU   73 - QD1   LEU  104  13.73 +/- 0.68   0.035% *  0.0974% (0.24   0.02   0.02) =   0.000%
    Distance limit 5.45 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 = 0.914, support = 4.64, residual support = 147.2:
    * O T HB2   LEU   73 - QD1   LEU   73   2.65 +/- 0.18  25.167% * 88.0573% (1.00   5.00 163.42) =  88.902%  kept
          QD    LYS+  99 - QD1   LEU  104   2.61 +/- 0.96  40.003% *  6.8974% (0.23   1.73  17.69) =  11.068%  kept
        T HB3   LYS+  99 - QD1   LEU  104   2.45 +/- 0.51  33.720% *  0.0192% (0.05   0.02  17.69) =   0.026%
          QG1   ILE   56 - QD1   LEU   63   5.18 +/- 0.35   0.477% *  0.1087% (0.31   0.02   0.02) =   0.002%
          QD    LYS+ 102 - QD1   LEU  104   6.24 +/- 1.04   0.495% *  0.0354% (0.10   0.02   0.17) =   0.001%
          QD    LYS+ 106 - QD1   LEU   63   9.05 +/- 0.63   0.019% *  0.3332% (0.95   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   LEU   63   9.91 +/- 0.66   0.010% *  0.3522% (1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   63   9.63 +/- 0.72   0.012% *  0.2279% (0.65   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  104   8.42 +/- 0.63   0.033% *  0.0816% (0.23   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   63   9.29 +/- 0.46   0.013% *  0.2136% (0.61   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU   63  10.48 +/- 0.71   0.008% *  0.3252% (0.92   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU   73  10.69 +/- 0.61   0.007% *  0.3252% (0.92   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   63  11.25 +/- 0.39   0.004% *  0.3399% (0.97   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU   73  12.05 +/- 1.33   0.004% *  0.3332% (0.95   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   63  11.66 +/- 0.54   0.004% *  0.3159% (0.90   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   63  10.70 +/- 0.66   0.006% *  0.0784% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   73  10.56 +/- 0.55   0.006% *  0.0784% (0.22   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   73  13.01 +/- 0.59   0.002% *  0.1448% (0.41   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   73  15.84 +/- 0.45   0.001% *  0.3399% (0.97   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   63  13.84 +/- 1.03   0.001% *  0.1448% (0.41   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU   73  13.29 +/- 0.30   0.001% *  0.1087% (0.31   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   LEU  104  12.89 +/- 1.01   0.002% *  0.0862% (0.24   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   73  15.05 +/- 0.37   0.001% *  0.2136% (0.61   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU  104  12.62 +/- 0.97   0.002% *  0.0558% (0.16   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   73  20.40 +/- 0.34   0.000% *  0.3159% (0.90   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   73  19.88 +/- 0.51   0.000% *  0.2279% (0.65   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU  104  13.98 +/- 0.38   0.001% *  0.0266% (0.08   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  104  17.72 +/- 0.39   0.000% *  0.0773% (0.22   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  104  18.44 +/- 0.53   0.000% *  0.0832% (0.24   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  104  18.39 +/- 0.44   0.000% *  0.0523% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 844 (1.38, 0.58, 26.34 ppm):
    45 chemical-shift based assignments, quality = 1.0, support = 4.95, residual support = 163.4:
    * O T HB3   LEU   73 - QD1   LEU   73   2.09 +/- 0.16  97.569% * 92.5357% (1.00   4.95 163.42) =  99.996%  kept
          HB    VAL   42 - QD1   LEU   63   5.38 +/- 0.54   0.598% *  0.3705% (0.99   0.02   0.02) =   0.002%
          HG3   LYS+  33 - QD1   LEU   73   6.88 +/- 0.72   0.110% *  0.3607% (0.97   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   73   7.04 +/- 0.19   0.074% *  0.3705% (0.99   0.02   1.86) =   0.000%
          HG3   LYS+ 102 - QD1   LEU  104   6.43 +/- 1.12   0.241% *  0.0913% (0.24   0.02   0.17) =   0.000%
          QB    LEU   98 - QD1   LEU  104   5.47 +/- 0.67   0.494% *  0.0343% (0.09   0.02   7.79) =   0.000%
          QB    LEU   98 - QD1   LEU   73   7.01 +/- 0.40   0.078% *  0.1403% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   63   8.75 +/- 0.67   0.025% *  0.3705% (0.99   0.02   1.35) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   7.43 +/- 0.40   0.058% *  0.1403% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   73   6.78 +/- 0.20   0.093% *  0.0655% (0.18   0.02  45.28) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63   9.16 +/- 0.57   0.016% *  0.3451% (0.92   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU  104   6.35 +/- 0.88   0.196% *  0.0228% (0.06   0.02   7.79) =   0.000%
        T HB3   LEU   73 - QD1   LEU   63  10.30 +/- 0.70   0.010% *  0.3738% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.78 +/- 0.52   0.045% *  0.0845% (0.23   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   73   8.48 +/- 1.01   0.033% *  0.0932% (0.25   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU  104   8.27 +/- 0.76   0.033% *  0.0907% (0.24   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   63   7.80 +/- 0.79   0.051% *  0.0577% (0.15   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU  104   6.35 +/- 0.75   0.193% *  0.0141% (0.04   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   63  10.48 +/- 0.56   0.007% *  0.3664% (0.98   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73   8.90 +/- 0.27   0.019% *  0.1275% (0.34   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU   63   9.78 +/- 0.35   0.011% *  0.1403% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  12.72 +/- 0.92   0.002% *  0.3451% (0.92   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63  10.55 +/- 0.94   0.008% *  0.0932% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   73  13.78 +/- 0.84   0.001% *  0.3705% (0.99   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   73  13.44 +/- 1.44   0.002% *  0.2418% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   73  14.24 +/- 0.99   0.001% *  0.3730% (1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  10.79 +/- 0.58   0.006% *  0.0655% (0.18   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  12.14 +/- 0.35   0.003% *  0.1275% (0.34   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   63  11.09 +/- 0.50   0.005% *  0.0655% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   63  15.54 +/- 0.66   0.001% *  0.3730% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  13.20 +/- 0.42   0.002% *  0.1403% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   63  15.84 +/- 0.81   0.001% *  0.3607% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU  104  12.91 +/- 0.95   0.002% *  0.0883% (0.24   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD1   LEU  104  13.22 +/- 0.79   0.002% *  0.0915% (0.24   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   63  17.54 +/- 1.48   0.000% *  0.2418% (0.65   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  11.48 +/- 1.10   0.005% *  0.0160% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU  104  16.42 +/- 1.12   0.000% *  0.0907% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   73  20.73 +/- 0.35   0.000% *  0.3664% (0.98   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   73  15.50 +/- 0.65   0.001% *  0.0577% (0.15   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  15.16 +/- 0.55   0.001% *  0.0312% (0.08   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  17.84 +/- 0.62   0.000% *  0.0655% (0.18   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU  104  18.85 +/- 0.34   0.000% *  0.0897% (0.24   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  16.10 +/- 0.43   0.001% *  0.0343% (0.09   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU  104  18.75 +/- 1.70   0.000% *  0.0592% (0.16   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU  104  17.17 +/- 0.65   0.000% *  0.0160% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 845 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
    *     QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
          QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 846 (0.78, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.87, residual support = 163.4:
    * O T QD2   LEU   73 - QD1   LEU   73   2.01 +/- 0.06  83.374% * 97.4038% (1.00   5.87 163.42) =  99.964%  kept
          HG    LEU   31 - QD1   LEU   73   4.11 +/- 0.82   5.783% *  0.3204% (0.97   0.02   1.38) =   0.023%
          QG1   VAL   43 - QD1   LEU   73   3.39 +/- 0.96   9.988% *  0.0923% (0.28   0.02   9.57) =   0.011%
        T QG1   VAL   41 - QD1   LEU   73   4.96 +/- 0.31   0.399% *  0.1488% (0.45   0.02   0.02) =   0.001%
          QD1   ILE   56 - QD1   LEU   63   6.19 +/- 0.35   0.107% *  0.2977% (0.90   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD1   LEU   63   8.23 +/- 0.66   0.021% *  0.3320% (1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU  104   5.75 +/- 0.44   0.174% *  0.0364% (0.11   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   7.18 +/- 0.49   0.045% *  0.0923% (0.28   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   63   8.21 +/- 0.75   0.023% *  0.1132% (0.34   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU  104   7.12 +/- 0.77   0.053% *  0.0277% (0.08   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63   9.32 +/- 0.38   0.009% *  0.1488% (0.45   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD1   LEU  104   9.99 +/- 0.57   0.006% *  0.0813% (0.24   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   8.67 +/- 0.71   0.015% *  0.0226% (0.07   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU   73  13.96 +/- 0.28   0.001% *  0.2977% (0.90   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU   63  14.23 +/- 0.76   0.001% *  0.3204% (0.97   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU  104  12.56 +/- 0.87   0.002% *  0.0784% (0.24   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU  104  14.13 +/- 0.35   0.001% *  0.0729% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   73  16.34 +/- 0.62   0.000% *  0.1132% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.69 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 = 5.87, residual support = 163.4:
    *   T HA    LEU   73 - QD2   LEU   73   2.05 +/- 0.33 100.000% * 99.8839% (1.00   5.87 163.42) = 100.000%  kept
        T HA    LEU   73 - HG3   LYS+ 121  19.22 +/- 0.66   0.000% *  0.1161% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 848 (1.70, 0.78, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.87, residual support = 163.4:
    * O T HB2   LEU   73 - QD2   LEU   73   3.10 +/- 0.11  98.925% * 97.2526% (1.00   5.87 163.42) =  99.999%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   7.73 +/- 0.41   0.450% *  0.0731% (0.22   0.02   2.34) =   0.000%
          QD    LYS+  99 - QD2   LEU   73  10.06 +/- 0.74   0.094% *  0.3060% (0.92   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU   73  12.29 +/- 1.33   0.045% *  0.3135% (0.95   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 121   9.69 +/- 0.51   0.116% *  0.1043% (0.31   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 121  10.47 +/- 1.28   0.099% *  0.1069% (0.32   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD2   LEU   73  10.11 +/- 0.58   0.090% *  0.0738% (0.22   0.02   0.02) =   0.000%
        T QG1   ILE   56 - QD2   LEU   73  12.28 +/- 0.40   0.027% *  0.1023% (0.31   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  14.46 +/- 0.56   0.010% *  0.2010% (0.61   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  13.60 +/- 0.61   0.015% *  0.1363% (0.41   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU   73  15.82 +/- 0.69   0.006% *  0.3199% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+ 121  10.59 +/- 0.57   0.067% *  0.0252% (0.08   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  13.08 +/- 1.55   0.024% *  0.0465% (0.14   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+ 121  13.17 +/- 0.58   0.018% *  0.0349% (0.11   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG3   LYS+ 121  16.07 +/- 1.04   0.006% *  0.1014% (0.31   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  18.01 +/- 0.49   0.003% *  0.2144% (0.65   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU   73  19.86 +/- 0.57   0.002% *  0.2973% (0.90   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 121  18.75 +/- 1.11   0.002% *  0.1130% (0.34   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 121  19.84 +/- 0.99   0.002% *  0.1091% (0.33   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  19.27 +/- 0.78   0.002% *  0.0686% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 0.914, support = 5.88, residual support = 176.9:
    * O T HB3   LEU   73 - QD2   LEU   73   2.75 +/- 0.15  34.450% * 91.5154% (1.00   5.87 163.42) =  90.917%  kept
      O T HD3   LYS+ 121 - HG3   LYS+ 121   2.47 +/- 0.26  64.133% *  4.9059% (0.05   5.98 312.15) =   9.073%  kept
          HB    VAL   42 - QD2   LEU   73   5.22 +/- 0.40   0.801% *  0.3091% (0.99   0.02   1.86) =   0.007%
          HG3   LYS+  33 - QD2   LEU   73   7.10 +/- 0.61   0.132% *  0.3010% (0.97   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QD2   LEU   73   6.27 +/- 0.16   0.250% *  0.0546% (0.18   0.02  45.28) =   0.000%
          QB    LEU   98 - QD2   LEU   73   7.56 +/- 0.33   0.083% *  0.1171% (0.38   0.02   0.02) =   0.000%
          HG    LEU   98 - QD2   LEU   73   9.04 +/- 1.04   0.043% *  0.0778% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   73  11.31 +/- 0.79   0.008% *  0.3091% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 121  10.11 +/- 1.12   0.018% *  0.0982% (0.31   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   73  10.20 +/- 0.49   0.014% *  0.1064% (0.34   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   73  12.33 +/- 1.45   0.006% *  0.2018% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   73  12.78 +/- 1.04   0.004% *  0.2879% (0.92   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 121   9.30 +/- 1.06   0.034% *  0.0186% (0.06   0.02   0.02) =   0.000%
          HB    VAL   42 - HG3   LYS+ 121  11.86 +/- 0.57   0.005% *  0.1054% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   73  14.85 +/- 0.74   0.001% *  0.3112% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   73  12.60 +/- 0.59   0.004% *  0.1171% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 121  14.72 +/- 1.55   0.002% *  0.1061% (0.34   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 121  12.19 +/- 0.60   0.005% *  0.0399% (0.13   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - QD2   LEU   73  14.36 +/- 0.67   0.002% *  0.0481% (0.15   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 121  13.22 +/- 0.91   0.003% *  0.0265% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG3   LYS+ 121  16.44 +/- 0.72   0.001% *  0.1043% (0.33   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   73  19.65 +/- 0.46   0.000% *  0.3057% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 121  17.72 +/- 0.92   0.000% *  0.1054% (0.34   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   73  16.14 +/- 0.60   0.001% *  0.0546% (0.18   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HG3   LYS+ 121  19.25 +/- 1.04   0.000% *  0.1064% (0.34   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 121  16.96 +/- 0.78   0.001% *  0.0399% (0.13   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 121  21.98 +/- 1.03   0.000% *  0.1026% (0.33   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 121  19.92 +/- 0.78   0.000% *  0.0363% (0.12   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 121  25.13 +/- 1.76   0.000% *  0.0688% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG3   LYS+ 121  22.20 +/- 0.76   0.000% *  0.0186% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 850 (0.58, 0.78, 24.39 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.87, residual support = 163.4:
    * O T QD1   LEU   73 - QD2   LEU   73   2.01 +/- 0.06  99.748% * 98.1176% (1.00   5.87 163.42) = 100.000%  kept
        T QD1   LEU   63 - QD2   LEU   73   8.23 +/- 0.66   0.025% *  0.3344% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU   73   8.04 +/- 0.65   0.029% *  0.2678% (0.80   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HG3   LYS+ 121   7.12 +/- 0.77   0.067% *  0.0646% (0.19   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG3   LYS+ 121   7.24 +/- 0.60   0.053% *  0.0646% (0.19   0.02   0.02) =   0.000%
        T QD1   LEU   63 - HG3   LYS+ 121   8.21 +/- 0.75   0.028% *  0.1140% (0.34   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU   73   8.92 +/- 0.77   0.015% *  0.1893% (0.57   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QD2   LEU   73   9.99 +/- 0.57   0.007% *  0.1893% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG3   LYS+ 121   9.33 +/- 0.45   0.011% *  0.0952% (0.28   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU   73   8.85 +/- 0.65   0.015% *  0.0586% (0.18   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU   73  12.98 +/- 0.64   0.001% *  0.2793% (0.84   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG3   LYS+ 121  16.34 +/- 0.62   0.000% *  0.1140% (0.34   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   LYS+ 121  21.70 +/- 0.87   0.000% *  0.0913% (0.27   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+ 121  20.97 +/- 0.98   0.000% *  0.0200% (0.06   0.02   0.02) =   0.000%
    Distance limit 2.76 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 = 176.0:
    * O T HB2   LYS+  74 - HA    LYS+  74   2.62 +/- 0.07  99.857% * 98.3581% (0.64   6.31 176.04) = 100.000%  kept
          QG2   THR   26 - HA    LYS+  74   8.26 +/- 0.55   0.114% *  0.2047% (0.42   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  74  14.61 +/- 0.80   0.004% *  0.3489% (0.72   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LYS+  74  13.21 +/- 0.86   0.007% *  0.1744% (0.36   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+  74  15.88 +/- 1.00   0.002% *  0.2673% (0.55   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  74  13.44 +/- 1.44   0.007% *  0.0681% (0.14   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+  74  14.12 +/- 0.58   0.004% *  0.0970% (0.20   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  74  14.41 +/- 0.77   0.004% *  0.0681% (0.14   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+  74  18.67 +/- 0.36   0.001% *  0.2673% (0.55   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LYS+  74  19.06 +/- 0.81   0.001% *  0.1460% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 854 (1.24, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 176.0:
    * O T HG2   LYS+  74 - HA    LYS+  74   2.19 +/- 0.09  99.926% * 98.2807% (0.80   6.28 176.04) = 100.000%  kept
          HG13  ILE   19 - HA    LYS+  74   8.97 +/- 0.17   0.022% *  0.2889% (0.74   0.02   8.34) =   0.000%
          HG    LEU   71 - HA    LYS+  74  10.00 +/- 0.67   0.012% *  0.3122% (0.80   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  74   8.57 +/- 0.27   0.029% *  0.0619% (0.16   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+  74  11.61 +/- 0.34   0.005% *  0.1403% (0.36   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    LYS+  74  12.54 +/- 0.37   0.003% *  0.1898% (0.49   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  74  13.14 +/- 0.34   0.002% *  0.1898% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+  74  18.28 +/- 1.05   0.000% *  0.3122% (0.80   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HA    LYS+  74  18.30 +/- 0.35   0.000% *  0.1174% (0.30   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    LYS+  74  21.81 +/- 0.43   0.000% *  0.1067% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 855 (0.98, 4.94, 55.14 ppm):
    8 chemical-shift based assignments, quality = 0.773, support = 5.54, residual support = 168.6:
    * O T HG3   LYS+  74 - HA    LYS+  74   3.49 +/- 0.06  83.421% * 77.2690% (0.80   5.57 176.04) =  94.963%  kept
          HB    VAL   75 - HA    LYS+  74   4.65 +/- 0.35  15.894% * 21.5028% (0.25   5.02  27.40) =   5.035%  kept
          QD2   LEU   71 - HA    LYS+  74   8.82 +/- 0.92   0.442% *  0.1905% (0.55   0.02   0.02) =   0.001%
          QD1   LEU   67 - HA    LYS+  74  10.66 +/- 0.17   0.104% *  0.2560% (0.74   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    LYS+  74  11.37 +/- 0.47   0.073% *  0.2487% (0.72   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    LYS+  74  13.83 +/- 0.49   0.022% *  0.2719% (0.78   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    LYS+  74  13.02 +/- 0.63   0.033% *  0.1570% (0.45   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    LYS+  74  15.49 +/- 0.37   0.011% *  0.1041% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 3 structures by 0.03 A, kept.
 
    Peak 856 (1.64, 4.94, 55.14 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 176.0:
    *   T HD2   LYS+  74 - HA    LYS+  74   3.01 +/- 0.04  99.819% * 98.3904% (0.80   5.91 176.04) = 100.000%  kept
          QB    ALA   57 - HA    LYS+  74   9.67 +/- 0.43   0.096% *  0.2887% (0.69   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  74  10.84 +/- 0.60   0.050% *  0.1620% (0.39   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LYS+  74  12.94 +/- 1.04   0.019% *  0.1885% (0.45   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LYS+  74  13.69 +/- 0.79   0.012% *  0.1885% (0.45   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  74  18.18 +/- 0.64   0.002% *  0.2019% (0.49   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LYS+  74  20.53 +/- 0.40   0.001% *  0.2780% (0.67   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  74  20.04 +/- 0.45   0.001% *  0.1135% (0.27   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  74  23.27 +/- 0.51   0.000% *  0.1885% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 857 (2.80, 4.94, 55.14 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 0.0191, residual support = 168.0:
    *   T QE    LYS+  74 - HA    LYS+  74   4.23 +/- 0.14  88.290% * 29.0194% (0.80   0.02 176.04) =  95.439%  kept
          HB2   PHE   72 - HA    LYS+  74   6.34 +/- 0.79  10.620% *  8.9568% (0.25   0.02   0.02) =   3.543%
          QB    CYS   50 - HA    LYS+  74   9.26 +/- 0.40   0.843% * 28.9550% (0.80   0.02   0.02) =   0.910%
          HB3   ASP-  78 - HA    LYS+  74  11.49 +/- 0.55   0.229% * 10.8913% (0.30   0.02   0.02) =   0.093%
          HB3   ASN   69 - HA    LYS+  74  17.47 +/- 0.26   0.018% * 22.1775% (0.61   0.02   0.02) =   0.015%
    Distance limit 3.13 A violated in 20 structures by 1.10 A, eliminated.
    Peak unassigned.
 
    Peak 858 (4.94, 1.48, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 176.0:
    * O T HA    LYS+  74 - HB2   LYS+  74   2.62 +/- 0.07  99.991% * 99.6731% (0.64   6.31 176.04) = 100.000%  kept
          HA    THR   94 - HB2   LYS+  74  13.25 +/- 0.44   0.006% *  0.2391% (0.49   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   LYS+  74  15.05 +/- 0.55   0.003% *  0.0878% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 859 (1.48, 1.48, 36.69 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  74 - HB2   LYS+  74  (0.64)  kept
 
    Peak 860 (1.24, 1.48, 36.69 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 176.0:
    * O T HG2   LYS+  74 - HB2   LYS+  74   2.79 +/- 0.14  99.527% * 98.1566% (0.80   5.85 176.04) =  99.999%  kept
          HG13  ILE   19 - HB2   LYS+  74   7.40 +/- 0.40   0.307% *  0.3097% (0.74   0.02   8.34) =   0.001%
          HG    LEU   71 - HB2   LYS+  74   9.26 +/- 0.71   0.081% *  0.3348% (0.80   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  74   9.72 +/- 0.41   0.060% *  0.0664% (0.16   0.02   0.02) =   0.000%
          QG2   THR   39 - HB2   LYS+  74  12.54 +/- 0.37   0.012% *  0.2035% (0.49   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+  74  14.15 +/- 0.34   0.006% *  0.1504% (0.36   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  74  14.99 +/- 0.39   0.004% *  0.2035% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+  74  19.30 +/- 1.14   0.001% *  0.3348% (0.80   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB2   LYS+  74  20.38 +/- 0.48   0.001% *  0.1259% (0.30   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB2   LYS+  74  22.29 +/- 0.50   0.000% *  0.1144% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.801, support = 5.27, residual support = 176.0:
    * O T HG3   LYS+  74 - HB2   LYS+  74   2.59 +/- 0.26  99.481% * 98.2356% (0.80   5.27 176.04) =  99.999%  kept
          QD2   LEU   71 - HB2   LYS+  74   8.02 +/- 0.84   0.190% *  0.2559% (0.55   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LYS+  74   7.01 +/- 0.26   0.293% *  0.1150% (0.25   0.02  27.40) =   0.000%
        T QD1   LEU   67 - HB2   LYS+  74  11.16 +/- 0.32   0.018% *  0.3438% (0.74   0.02   0.02) =   0.000%
        T QD2   LEU   40 - HB2   LYS+  74  12.40 +/- 0.55   0.010% *  0.3340% (0.72   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LYS+  74  15.65 +/- 0.53   0.002% *  0.3651% (0.78   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LYS+  74  14.93 +/- 0.63   0.003% *  0.2109% (0.45   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  74  16.14 +/- 0.53   0.002% *  0.1398% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 176.0:
    * O T HD2   LYS+  74 - HB2   LYS+  74   3.03 +/- 0.73  99.660% * 98.4915% (0.80   6.31 176.04) =  99.999%  kept
          QB    ALA   57 - HB2   LYS+  74   9.76 +/- 0.58   0.203% *  0.2706% (0.69   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HB2   LYS+  74  11.87 +/- 0.98   0.067% *  0.1766% (0.45   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+  74  12.60 +/- 0.63   0.036% *  0.1519% (0.39   0.02   0.02) =   0.000%
          QD    LYS+  33 - HB2   LYS+  74  13.18 +/- 0.81   0.027% *  0.1766% (0.45   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HB2   LYS+  74  19.47 +/- 0.77   0.003% *  0.1892% (0.49   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   LYS+  74  22.67 +/- 0.52   0.001% *  0.2606% (0.67   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+  74  20.43 +/- 0.63   0.002% *  0.1064% (0.27   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+  74  23.87 +/- 0.65   0.001% *  0.1766% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 863 (2.80, 1.48, 36.69 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.62, residual support = 176.0:
    *   T QE    LYS+  74 - HB2   LYS+  74   2.79 +/- 0.41  98.370% * 98.9526% (0.80   4.62 176.04) =  99.998%  kept
          HB2   PHE   72 - HB2   LYS+  74   6.10 +/- 0.66   1.544% *  0.1322% (0.25   0.02   0.02) =   0.002%
          QB    CYS   50 - HB2   LYS+  74   9.81 +/- 0.44   0.067% *  0.4273% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+  74  12.39 +/- 0.51   0.017% *  0.1607% (0.30   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   LYS+  74  17.11 +/- 0.37   0.002% *  0.3273% (0.61   0.02   0.02) =   0.000%
    Distance limit 5.08 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 = 176.0:
    * O T HA    LYS+  74 - HG2   LYS+  74   2.19 +/- 0.09  99.929% * 99.6026% (0.80   6.28 176.04) = 100.000%  kept
          HA    THR   94 - HG2   LYS+  74  11.22 +/- 0.45   0.006% *  0.2402% (0.61   0.02   0.02) =   0.000%
          HA    THR   94 - HG3   LYS+ 111   8.09 +/- 0.25   0.042% *  0.0257% (0.06   0.02   0.02) =   0.000%
          HA    MET   92 - HG2   LYS+  74  12.43 +/- 0.53   0.003% *  0.0882% (0.22   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+ 111   9.30 +/- 0.89   0.020% *  0.0094% (0.02   0.02   0.02) =   0.000%
        T HA    LYS+  74 - HG3   LYS+ 111  18.30 +/- 0.35   0.000% *  0.0339% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.66 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 = 176.0:
    * O T HB2   LYS+  74 - HG2   LYS+  74   2.79 +/- 0.14  99.411% * 98.0100% (0.80   5.85 176.04) = 100.000%  kept
          QG2   THR   26 - HG2   LYS+  74   9.30 +/- 0.54   0.081% *  0.2201% (0.53   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 111   8.31 +/- 1.04   0.217% *  0.0307% (0.07   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+  74  12.92 +/- 1.20   0.011% *  0.1876% (0.45   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 111   7.78 +/- 0.61   0.243% *  0.0078% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+  74  16.25 +/- 1.06   0.003% *  0.3752% (0.90   0.02   0.02) =   0.000%
          HG    LEU  115 - HG2   LYS+  74  15.80 +/- 1.06   0.003% *  0.2874% (0.69   0.02   0.02) =   0.000%
          HG    LEU   67 - HG2   LYS+  74  15.06 +/- 0.98   0.004% *  0.1043% (0.25   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG2   LYS+  74  14.50 +/- 0.91   0.005% *  0.0733% (0.18   0.02   0.02) =   0.000%
          HG    LEU   40 - HG2   LYS+  74  15.10 +/- 1.55   0.005% *  0.0733% (0.18   0.02   0.02) =   0.000%
          QB    ALA  120 - HG2   LYS+  74  19.05 +/- 0.64   0.001% *  0.2874% (0.69   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 111  13.34 +/- 0.60   0.009% *  0.0307% (0.07   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG2   LYS+  74  20.09 +/- 1.09   0.001% *  0.1570% (0.38   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+ 111  16.01 +/- 1.62   0.003% *  0.0168% (0.04   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG3   LYS+ 111  20.38 +/- 0.48   0.001% *  0.0358% (0.09   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 111  22.14 +/- 0.38   0.000% *  0.0401% (0.10   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 111  21.91 +/- 0.82   0.000% *  0.0200% (0.05   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 111  20.19 +/- 1.04   0.001% *  0.0111% (0.03   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 111  22.87 +/- 0.51   0.000% *  0.0235% (0.06   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 111  20.47 +/- 0.67   0.001% *  0.0078% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 866 (1.24, 1.24, 25.23 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  74 - HG2   LYS+  74  (1.00)  kept
          HG3   LYS+ 111 - HG3   LYS+ 111  (0.04)  kept
 
    Peak 867 (0.98, 1.24, 25.23 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 176.0:
    * O T HG3   LYS+  74 - HG2   LYS+  74   1.75 +/- 0.00  99.904% * 97.6970% (1.00   4.54 176.04) = 100.000%  kept
          HB    VAL   75 - HG2   LYS+  74   5.76 +/- 0.38   0.087% *  0.1329% (0.31   0.02  27.40) =   0.000%
          QD2   LEU   71 - HG2   LYS+  74   9.91 +/- 0.87   0.004% *  0.2957% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG2   LYS+  74  11.54 +/- 0.56   0.001% *  0.3973% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG2   LYS+  74  12.79 +/- 0.64   0.001% *  0.3860% (0.90   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG2   LYS+  74  15.13 +/- 0.52   0.000% *  0.4219% (0.98   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG2   LYS+  74  14.41 +/- 0.66   0.000% *  0.2437% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   LYS+  74  15.57 +/- 0.64   0.000% *  0.1615% (0.38   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG3   LYS+ 111  13.24 +/- 0.34   0.001% *  0.0451% (0.10   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   LYS+ 111  12.40 +/- 0.54   0.001% *  0.0173% (0.04   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG3   LYS+ 111  13.99 +/- 1.00   0.000% *  0.0260% (0.06   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG3   LYS+ 111  15.41 +/- 0.44   0.000% *  0.0425% (0.10   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG3   LYS+ 111  16.34 +/- 0.40   0.000% *  0.0413% (0.10   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG3   LYS+ 111  19.59 +/- 0.53   0.000% *  0.0460% (0.11   0.02   0.02) =   0.000%
          HB    VAL   75 - HG3   LYS+ 111  17.06 +/- 0.47   0.000% *  0.0142% (0.03   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG3   LYS+ 111  21.43 +/- 0.72   0.000% *  0.0316% (0.07   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 0.96, support = 5.32, residual support = 169.0:
    * O T HD2   LYS+  74 - HG2   LYS+  74   2.58 +/- 0.07  67.456% * 90.3906% (1.00   5.54 176.04) =  95.985%  kept
      O T HD3   LYS+ 111 - HG3   LYS+ 111   2.91 +/- 0.09  32.455% *  7.8581% (0.09   5.40 312.62) =   4.015%
          QB    ALA   57 - HG2   LYS+  74   8.42 +/- 0.63   0.064% *  0.2829% (0.87   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  12.01 +/- 0.81   0.007% *  0.1587% (0.49   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  12.63 +/- 1.36   0.006% *  0.1846% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  15.18 +/- 0.78   0.002% *  0.1846% (0.57   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  12.44 +/- 0.14   0.005% *  0.0302% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  19.05 +/- 0.83   0.000% *  0.1978% (0.61   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  20.55 +/- 0.49   0.000% *  0.2724% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  15.52 +/- 0.83   0.001% *  0.0211% (0.06   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  21.77 +/- 0.58   0.000% *  0.1112% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  23.71 +/- 0.85   0.000% *  0.1846% (0.57   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  18.61 +/- 0.46   0.000% *  0.0349% (0.11   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  20.45 +/- 0.73   0.000% *  0.0197% (0.06   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.80 +/- 0.91   0.000% *  0.0197% (0.06   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.30 +/- 0.65   0.000% *  0.0170% (0.05   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  27.41 +/- 0.83   0.000% *  0.0197% (0.06   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  28.24 +/- 0.70   0.000% *  0.0119% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 176.0:
    * O T QE    LYS+  74 - HG2   LYS+  74   3.33 +/- 0.05  97.957% * 98.7753% (1.00   4.54 176.04) =  99.995%  kept
          QB    CYS   50 - HG2   LYS+  74   7.71 +/- 0.51   0.690% *  0.4342% (1.00   0.02   0.02) =   0.003%
          HB2   PHE   72 - HG2   LYS+  74   7.39 +/- 0.99   1.211% *  0.1343% (0.31   0.02   0.02) =   0.002%
          HB3   ASP-  78 - HG2   LYS+  74  10.54 +/- 0.92   0.112% *  0.1633% (0.38   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG2   LYS+  74  18.72 +/- 0.71   0.003% *  0.3326% (0.76   0.02   0.02) =   0.000%
          QB    CYS   50 - HG3   LYS+ 111  14.00 +/- 0.73   0.019% *  0.0464% (0.11   0.02   0.02) =   0.000%
        T QE    LYS+  74 - HG3   LYS+ 111  18.37 +/- 0.49   0.004% *  0.0465% (0.11   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 111  20.02 +/- 0.79   0.002% *  0.0175% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+ 111  19.98 +/- 0.82   0.002% *  0.0144% (0.03   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+ 111  27.08 +/- 0.60   0.000% *  0.0355% (0.08   0.02   0.02) =   0.000%
    Distance limit 5.07 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 = 176.0:
    * O T HA    LYS+  74 - HG3   LYS+  74   3.49 +/- 0.06  99.929% * 99.6297% (0.80   5.57 176.04) = 100.000%  kept
          HA    THR   94 - HG3   LYS+  74  12.88 +/- 0.48   0.041% *  0.2709% (0.61   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+  74  13.58 +/- 0.54   0.030% *  0.0994% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 871 (1.48, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 176.0:
    * O T HB2   LYS+  74 - HG3   LYS+  74   2.59 +/- 0.26  99.912% * 98.0409% (0.80   5.27 176.04) = 100.000%  kept
          QG2   THR   26 - HG3   LYS+  74   9.11 +/- 0.60   0.071% *  0.2442% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+  74  12.85 +/- 1.39   0.007% *  0.2081% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+  74  17.29 +/- 1.16   0.001% *  0.4163% (0.90   0.02   0.02) =   0.000%
        T HG    LEU  115 - HG3   LYS+  74  17.07 +/- 1.14   0.001% *  0.3189% (0.69   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  74  15.89 +/- 1.14   0.002% *  0.1158% (0.25   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  74  15.89 +/- 1.01   0.002% *  0.0813% (0.18   0.02   0.02) =   0.000%
        T HG    LEU   40 - HG3   LYS+  74  16.26 +/- 1.60   0.002% *  0.0813% (0.18   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  74  20.07 +/- 0.79   0.000% *  0.3189% (0.69   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+  74  21.49 +/- 1.18   0.000% *  0.1742% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 176.0:
    * O T HG2   LYS+  74 - HG3   LYS+  74   1.75 +/- 0.00  99.987% * 97.6365% (1.00   4.54 176.04) = 100.000%  kept
          HG13  ILE   19 - HG3   LYS+  74   9.69 +/- 0.59   0.004% *  0.3971% (0.92   0.02   8.34) =   0.000%
          QG2   ILE   56 - HG3   LYS+  74   8.90 +/- 0.53   0.006% *  0.0851% (0.20   0.02   0.02) =   0.000%
          HG    LEU   71 - HG3   LYS+  74  11.69 +/- 0.88   0.001% *  0.4292% (1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG3   LYS+  74  13.94 +/- 0.64   0.000% *  0.2609% (0.61   0.02   0.02) =   0.000%
          QG2   THR   39 - HG3   LYS+  74  14.47 +/- 0.60   0.000% *  0.2609% (0.61   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+  74  14.04 +/- 0.56   0.000% *  0.1929% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   LYS+  74  21.29 +/- 1.20   0.000% *  0.4292% (1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   LYS+  74  19.59 +/- 0.53   0.000% *  0.1614% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG3   LYS+  74  24.57 +/- 0.56   0.000% *  0.1467% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 176.0:
    * O T HD2   LYS+  74 - HG3   LYS+  74   3.05 +/- 0.02  99.678% * 98.0930% (1.00   4.97 176.04) =  99.999%  kept
          QB    ALA   57 - HG3   LYS+  74   8.59 +/- 0.81   0.262% *  0.3421% (0.87   0.02   0.02) =   0.001%
          QD    LYS+  65 - HG3   LYS+  74  12.46 +/- 1.49   0.031% *  0.2233% (0.57   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  74  12.92 +/- 0.93   0.019% *  0.1920% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  33 - HG3   LYS+  74  15.28 +/- 0.76   0.007% *  0.2233% (0.57   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  74  20.39 +/- 0.96   0.001% *  0.2392% (0.61   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+  74  22.06 +/- 0.56   0.001% *  0.3294% (0.84   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+  74  22.47 +/- 0.67   0.001% *  0.1345% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  74  24.67 +/- 1.05   0.000% *  0.2233% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 176.0:
    * O T QE    LYS+  74 - HG3   LYS+  74   2.35 +/- 0.10  99.810% * 98.7918% (1.00   4.00 176.04) =  99.999%  kept
          QB    CYS   50 - HG3   LYS+  74   7.84 +/- 0.51   0.081% *  0.4929% (1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+  74   7.99 +/- 1.02   0.094% *  0.1525% (0.31   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+  74  10.61 +/- 1.03   0.015% *  0.1854% (0.38   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+  74  19.19 +/- 0.86   0.000% *  0.3775% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 176.0:
    *   T HA    LYS+  74 - HD2   LYS+  74   3.01 +/- 0.04  99.950% * 99.5012% (0.80   5.91 176.04) = 100.000%  kept
          HA    THR   94 - HD2   LYS+  74  11.79 +/- 0.46   0.029% *  0.2550% (0.61   0.02   0.02) =   0.000%
          HA    MET   92 - HD2   LYS+  74  12.77 +/- 1.00   0.020% *  0.0936% (0.22   0.02   0.02) =   0.000%
        T HA    LYS+  74 - QD    LYS+  38  20.04 +/- 0.45   0.001% *  0.0738% (0.18   0.02   0.02) =   0.000%
          HA    THR   94 - QD    LYS+  38  22.73 +/- 0.48   0.001% *  0.0559% (0.13   0.02   0.02) =   0.000%
        T HA    MET   92 - QD    LYS+  38  28.45 +/- 0.55   0.000% *  0.0205% (0.05   0.02   0.02) =   0.000%
    Distance limit 5.07 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 = 0.798, support = 0.0199, residual support = 175.5:
    * O T HB2   LYS+  74 - HD2   LYS+  74   3.03 +/- 0.73  99.335% * 13.0802% (0.80   0.02 176.04) =  99.721%  kept
          QG2   THR   26 - HD2   LYS+  74   9.34 +/- 0.69   0.299% *  8.5943% (0.53   0.02   0.02) =   0.197%
          HB3   LEU   40 - QD    LYS+  38   9.81 +/- 0.37   0.158% *  3.2126% (0.20   0.02   0.02) =   0.039%
        T HG2   LYS+  65 - HD2   LYS+  74  12.85 +/- 2.01   0.020% *  7.3236% (0.45   0.02   0.02) =   0.011%
          HB3   LEU   40 - HD2   LYS+  74  16.62 +/- 1.02   0.006% * 14.6499% (0.90   0.02   0.02) =   0.007%
          HG    LEU  115 - HD2   LYS+  74  16.21 +/- 1.13   0.007% * 11.2207% (0.69   0.02   0.02) =   0.006%
          HG    LEU   40 - QD    LYS+  38  10.85 +/- 0.73   0.101% *  0.6273% (0.04   0.02   0.02) =   0.005%
          HB3   LEU  115 - HD2   LYS+  74  14.91 +/- 1.05   0.011% *  2.8608% (0.18   0.02   0.02) =   0.002%
          HG    LEU   67 - HD2   LYS+  74  15.32 +/- 1.66   0.008% *  4.0732% (0.25   0.02   0.02) =   0.002%
          QG2   THR   26 - QD    LYS+  38  14.78 +/- 0.71   0.015% *  1.8846% (0.12   0.02   0.02) =   0.002%
          HG    LEU   40 - HD2   LYS+  74  15.48 +/- 1.73   0.009% *  2.8608% (0.18   0.02   0.02) =   0.002%
          QB    ALA  120 - HD2   LYS+  74  19.34 +/- 1.03   0.002% * 11.2207% (0.69   0.02   0.02) =   0.002%
          HG    LEU   67 - QD    LYS+  38  15.05 +/- 1.14   0.013% *  0.8932% (0.05   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - HD2   LYS+  74  20.50 +/- 1.09   0.002% *  6.1308% (0.38   0.02   0.02) =   0.001%
          QB    ALA  120 - QD    LYS+  38  19.08 +/- 0.56   0.003% *  2.4606% (0.15   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - QD    LYS+  38  17.49 +/- 1.42   0.005% *  1.3444% (0.08   0.02   0.02) =   0.001%
        T HB2   LYS+  74 - QD    LYS+  38  20.43 +/- 0.63   0.002% *  2.8684% (0.18   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  21.68 +/- 1.10   0.001% *  1.6060% (0.10   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  38  24.57 +/- 1.17   0.001% *  2.4606% (0.15   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  38  23.39 +/- 0.74   0.001% *  0.6273% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 11 structures by 0.68 A, eliminated.
    Peak unassigned.
 
    Peak 878 (1.24, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.911, support = 5.53, residual support = 179.3:
    * O T HG2   LYS+  74 - HD2   LYS+  74   2.58 +/- 0.07  40.677% * 91.0992% (1.00   5.54 176.04) =  90.423%  kept
      O T HG3   LYS+  38 - QD    LYS+  38   2.42 +/- 0.09  59.001% *  6.6513% (0.07   5.41 209.82) =   9.576%  kept
        T HG3   LYS+  99 - QD    LYS+  38   7.02 +/- 0.78   0.125% *  0.0719% (0.22   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  38   6.91 +/- 0.51   0.127% *  0.0437% (0.13   0.02  15.15) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74   9.98 +/- 0.95   0.015% *  0.3034% (0.92   0.02   8.34) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74   8.28 +/- 0.53   0.040% *  0.0650% (0.20   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  11.59 +/- 0.93   0.006% *  0.3280% (1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  13.29 +/- 0.88   0.002% *  0.1994% (0.61   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+  74  13.01 +/- 1.05   0.003% *  0.1474% (0.45   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  14.11 +/- 0.86   0.002% *  0.1994% (0.61   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  13.24 +/- 0.89   0.003% *  0.0719% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  20.53 +/- 1.16   0.000% *  0.3280% (1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  16.29 +/- 1.11   0.001% *  0.0665% (0.20   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HD2   LYS+  74  18.61 +/- 0.46   0.000% *  0.1234% (0.38   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.77 +/- 0.58   0.000% *  0.0721% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  24.04 +/- 0.76   0.000% *  0.1121% (0.34   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  22.05 +/- 0.60   0.000% *  0.0323% (0.10   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  24.27 +/- 0.87   0.000% *  0.0437% (0.13   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.89 +/- 0.27   0.000% *  0.0143% (0.04   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  28.24 +/- 0.70   0.000% *  0.0271% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 879 (0.98, 1.64, 30.09 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 176.0:
    * O T HG3   LYS+  74 - HD2   LYS+  74   3.05 +/- 0.02  96.949% * 97.6464% (1.00   4.97 176.04) =  99.996%  kept
          HB    VAL   75 - HD2   LYS+  74   6.27 +/- 1.28   2.612% *  0.1212% (0.31   0.02  27.40) =   0.003%
          QD2   LEU   71 - HD2   LYS+  74  10.03 +/- 1.41   0.122% *  0.2697% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   67 - HD2   LYS+  74  11.81 +/- 1.13   0.034% *  0.3624% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD    LYS+  38   9.11 +/- 0.38   0.141% *  0.0772% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   40 - HD2   LYS+  74  13.14 +/- 0.63   0.016% *  0.3521% (0.90   0.02   0.02) =   0.000%
          QD2   LEU   71 - QD    LYS+  38  11.21 +/- 0.91   0.045% *  0.0591% (0.15   0.02   0.02) =   0.000%
          QG2   ILE  103 - HD2   LYS+  74  15.57 +/- 0.49   0.006% *  0.3848% (0.98   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD    LYS+  38  12.37 +/- 0.21   0.022% *  0.0795% (0.20   0.02   0.02) =   0.000%
          QD1   ILE  103 - HD2   LYS+  74  14.84 +/- 0.69   0.008% *  0.2223% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD    LYS+  38  13.06 +/- 0.90   0.018% *  0.0844% (0.21   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD    LYS+  38  13.16 +/- 1.34   0.020% *  0.0487% (0.12   0.02   0.02) =   0.000%
          QG2   ILE  119 - HD2   LYS+  74  15.79 +/- 1.22   0.006% *  0.1473% (0.38   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - QD    LYS+  38  22.47 +/- 0.67   0.001% *  0.0861% (0.22   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD    LYS+  38  19.33 +/- 0.33   0.001% *  0.0323% (0.08   0.02   0.02) =   0.000%
          HB    VAL   75 - QD    LYS+  38  20.47 +/- 0.38   0.001% *  0.0266% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 176.0:
    * O T QE    LYS+  74 - HD2   LYS+  74   2.35 +/- 0.17  99.624% * 98.7292% (1.00   4.97 176.04) =  99.999%  kept
          QB    CYS   50 - HD2   LYS+  74   7.82 +/- 0.51   0.083% *  0.3960% (1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HD2   LYS+  74   7.60 +/- 1.60   0.261% *  0.1225% (0.31   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+  74  10.56 +/- 1.71   0.021% *  0.1490% (0.38   0.02   0.02) =   0.000%
          HB3   ASN   69 - QD    LYS+  38  11.28 +/- 1.20   0.010% *  0.0665% (0.17   0.02   0.02) =   0.000%
          HB3   ASN   69 - HD2   LYS+  74  18.86 +/- 1.38   0.000% *  0.3033% (0.76   0.02   0.02) =   0.000%
          HB2   PHE   72 - QD    LYS+  38  16.70 +/- 0.54   0.001% *  0.0269% (0.07   0.02   0.02) =   0.000%
        T QE    LYS+  74 - QD    LYS+  38  20.57 +/- 0.66   0.000% *  0.0870% (0.22   0.02   0.02) =   0.000%
          QB    CYS   50 - QD    LYS+  38  25.71 +/- 0.49   0.000% *  0.0868% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  38  28.89 +/- 0.42   0.000% *  0.0327% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.66 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 = 176.0:
    *   T HA    LYS+  74 - QE    LYS+  74   4.23 +/- 0.14  99.698% * 99.5813% (0.80   4.93 176.04) =  99.999%  kept
          HA    THR   94 - QE    LYS+  74  12.54 +/- 0.42   0.154% *  0.3063% (0.61   0.02   0.02) =   0.000%
          HA    MET   92 - QE    LYS+  74  12.76 +/- 0.80   0.148% *  0.1124% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 883 (1.48, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 4.62, residual support = 176.0:
    *   T HB2   LYS+  74 - QE    LYS+  74   2.79 +/- 0.41  99.684% * 97.7702% (0.80   4.62 176.04) =  99.999%  kept
          QG2   THR   26 - QE    LYS+  74   8.11 +/- 0.65   0.271% *  0.2780% (0.53   0.02   0.02) =   0.001%
          HG2   LYS+  65 - QE    LYS+  74  11.59 +/- 1.62   0.022% *  0.2369% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  74  16.21 +/- 1.02   0.003% *  0.4739% (0.90   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  74  16.09 +/- 0.94   0.003% *  0.3630% (0.69   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  74  14.87 +/- 1.23   0.005% *  0.1318% (0.25   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  74  18.59 +/- 0.78   0.001% *  0.3630% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  74  15.08 +/- 0.86   0.005% *  0.0925% (0.18   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  74  15.35 +/- 1.32   0.005% *  0.0925% (0.18   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  74  20.11 +/- 0.98   0.001% *  0.1983% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 884 (1.24, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 176.0:
    * O T HG2   LYS+  74 - QE    LYS+  74   3.33 +/- 0.05  99.056% * 97.6365% (1.00   4.54 176.04) =  99.997%  kept
          HG13  ILE   19 - QE    LYS+  74   8.58 +/- 0.71   0.386% *  0.3971% (0.92   0.02   8.34) =   0.002%
          HG    LEU   71 - QE    LYS+  74  10.69 +/- 0.89   0.107% *  0.4292% (1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  74   8.56 +/- 0.53   0.364% *  0.0851% (0.20   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  74  13.06 +/- 0.62   0.029% *  0.2609% (0.61   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+  74  13.33 +/- 0.65   0.026% *  0.2609% (0.61   0.02   0.02) =   0.000%
          HG12  ILE   89 - QE    LYS+  74  13.45 +/- 0.74   0.025% *  0.1929% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+  74  19.82 +/- 1.18   0.002% *  0.4292% (1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QE    LYS+  74  18.37 +/- 0.49   0.004% *  0.1614% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QE    LYS+  74  22.52 +/- 0.66   0.001% *  0.1467% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 885 (0.98, 2.80, 41.81 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 176.0:
    * O T HG3   LYS+  74 - QE    LYS+  74   2.35 +/- 0.10  99.786% * 97.6862% (1.00   4.00 176.04) = 100.000%  kept
          HB    VAL   75 - QE    LYS+  74   7.29 +/- 0.79   0.158% *  0.1508% (0.31   0.02  27.40) =   0.000%
          QD2   LEU   71 - QE    LYS+  74   9.14 +/- 1.01   0.040% *  0.3355% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   67 - QE    LYS+  74  11.71 +/- 0.78   0.007% *  0.4509% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   40 - QE    LYS+  74  13.12 +/- 0.60   0.004% *  0.4380% (0.90   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    LYS+  74  15.63 +/- 0.50   0.001% *  0.4788% (0.98   0.02   0.02) =   0.000%
          QD1   ILE  103 - QE    LYS+  74  14.93 +/- 0.57   0.002% *  0.2765% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  119 - QE    LYS+  74  15.22 +/- 0.93   0.001% *  0.1833% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 886 (1.64, 2.80, 41.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 176.0:
    * O T HD2   LYS+  74 - QE    LYS+  74   2.35 +/- 0.17  99.873% * 98.0930% (1.00   4.97 176.04) = 100.000%  kept
          QB    ALA   57 - QE    LYS+  74   7.84 +/- 0.74   0.104% *  0.3421% (0.87   0.02   0.02) =   0.000%
          QD    LYS+  65 - QE    LYS+  74  11.13 +/- 1.41   0.013% *  0.2233% (0.57   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  74  12.08 +/- 1.16   0.006% *  0.1920% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  33 - QE    LYS+  74  13.83 +/- 0.82   0.003% *  0.2233% (0.57   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  74  19.11 +/- 1.01   0.000% *  0.2392% (0.61   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QE    LYS+  74  20.59 +/- 0.46   0.000% *  0.3294% (0.84   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  74  20.57 +/- 0.66   0.000% *  0.1345% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  74  22.68 +/- 1.18   0.000% *  0.2233% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (2.80, 2.80, 41.81 ppm):
    1 diagonal assignment:
    *     QE    LYS+  74 - QE    LYS+  74  (1.00)  kept
 
    Peak 888 (3.71, 3.71, 61.73 ppm):
    1 diagonal assignment:
    *     HA    VAL   75 - HA    VAL   75  (1.00)  kept
 
    Peak 889 (1.00, 3.71, 61.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 83.1:
    * O T HB    VAL   75 - HA    VAL   75   2.96 +/- 0.18  97.817% * 98.6248% (1.00   3.44  83.06) =  99.996%  kept
          HG3   LYS+  74 - HA    VAL   75   5.81 +/- 0.62   2.147% *  0.1770% (0.31   0.02  27.40) =   0.004%
          QD2   LEU   40 - HA    VAL   75  13.33 +/- 0.42   0.013% *  0.3246% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    VAL   75  13.72 +/- 0.14   0.010% *  0.3017% (0.53   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    VAL   75  14.51 +/- 0.34   0.008% *  0.2357% (0.41   0.02   0.02) =   0.000%
        T QD1   ILE  119 - HA    VAL   75  17.00 +/- 0.28   0.003% *  0.2357% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL   75  18.05 +/- 0.36   0.002% *  0.1004% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 83.1:
    * O T QG1   VAL   75 - HA    VAL   75   2.45 +/- 0.26  99.997% * 99.5292% (1.00   4.00  83.06) = 100.000%  kept
          QD1   LEU  115 - HA    VAL   75  14.37 +/- 0.31   0.003% *  0.4708% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 83.1:
    * O T QG2   VAL   75 - HA    VAL   75   2.38 +/- 0.06  99.990% * 99.5198% (1.00   4.00  83.06) = 100.000%  kept
          QG2   VAL   42 - HA    VAL   75  11.28 +/- 0.86   0.010% *  0.4802% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 83.1:
    * O T HA    VAL   75 - HB    VAL   75   2.96 +/- 0.18  99.975% * 99.1755% (1.00   3.44  83.06) = 100.000%  kept
          HD3   PRO   58 - HB    VAL   75  15.51 +/- 0.57   0.005% *  0.5171% (0.90   0.02   0.02) =   0.000%
          HA    ALA   61 - HB    VAL   75  13.42 +/- 0.57   0.013% *  0.1284% (0.22   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    VAL   75  15.73 +/- 0.23   0.005% *  0.0780% (0.14   0.02   0.02) =   0.000%
        T HA    ILE  119 - HB    VAL   75  18.19 +/- 0.57   0.002% *  0.1010% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 83.1:
    * O T QG1   VAL   75 - HB    VAL   75   2.13 +/- 0.01  99.998% * 99.4530% (1.00   3.44  83.06) = 100.000%  kept
          QD1   LEU  115 - HB    VAL   75  12.74 +/- 0.50   0.002% *  0.5470% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 83.1:
    * O T QG2   VAL   75 - HB    VAL   75   2.14 +/- 0.00  99.986% * 99.4207% (1.00   3.31  83.06) = 100.000%  kept
        T QG2   VAL   42 - HB    VAL   75   9.84 +/- 0.85   0.014% *  0.5793% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 83.1:
    * O T HA    VAL   75 - QG1   VAL   75   2.45 +/- 0.26  99.977% * 99.2901% (1.00   4.00  83.06) = 100.000%  kept
          HD3   PRO   58 - QG1   VAL   75  14.25 +/- 0.70   0.005% *  0.4452% (0.90   0.02   0.02) =   0.000%
        T HA    ALA   61 - QG1   VAL   75  12.76 +/- 0.69   0.010% *  0.1105% (0.22   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG1   VAL   75  13.13 +/- 0.25   0.006% *  0.0672% (0.14   0.02   0.02) =   0.000%
          HA    ILE  119 - QG1   VAL   75  16.69 +/- 0.83   0.002% *  0.0869% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 897 (1.00, 0.44, 21.81 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 83.1:
    * O T HB    VAL   75 - QG1   VAL   75   2.13 +/- 0.01  99.883% * 98.6248% (1.00   3.44  83.06) = 100.000%  kept
          HG3   LYS+  74 - QG1   VAL   75   6.94 +/- 0.60   0.099% *  0.1770% (0.31   0.02  27.40) =   0.000%
          QD2   LEU   40 - QG1   VAL   75  10.81 +/- 0.49   0.006% *  0.3246% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  103 - QG1   VAL   75  10.77 +/- 0.40   0.006% *  0.2357% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   67 - QG1   VAL   75  11.71 +/- 0.60   0.004% *  0.3017% (0.53   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   75  14.20 +/- 0.68   0.001% *  0.2357% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL   75  14.22 +/- 0.64   0.001% *  0.1004% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 83.1:
    * O T QG2   VAL   75 - QG1   VAL   75   2.08 +/- 0.02  99.986% * 99.5198% (1.00   4.00  83.06) = 100.000%  kept
          QG2   VAL   42 - QG1   VAL   75   9.38 +/- 0.72   0.014% *  0.4802% (0.97   0.02   0.02) =   0.000%
    Distance limit 2.65 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 = 83.1:
    * O T HA    VAL   75 - QG2   VAL   75   2.38 +/- 0.06  99.987% * 99.2901% (1.00   4.00  83.06) = 100.000%  kept
          HD3   PRO   58 - QG2   VAL   75  14.17 +/- 0.29   0.002% *  0.4452% (0.90   0.02   0.02) =   0.000%
          HA    ALA   61 - QG2   VAL   75  11.49 +/- 0.30   0.008% *  0.1105% (0.22   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   VAL   75  14.89 +/- 0.19   0.002% *  0.0672% (0.14   0.02   0.02) =   0.000%
          HA    ILE  119 - QG2   VAL   75  15.71 +/- 0.30   0.001% *  0.0869% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (1.00, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 83.1:
    * O T HB    VAL   75 - QG2   VAL   75   2.14 +/- 0.00  99.773% * 98.5726% (1.00   3.31  83.06) = 100.000%  kept
          HG3   LYS+  74 - QG2   VAL   75   6.11 +/- 0.29   0.191% *  0.1837% (0.31   0.02  27.40) =   0.000%
          QD2   LEU   40 - QG2   VAL   75   9.30 +/- 0.35   0.015% *  0.3370% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   67 - QG2   VAL   75  10.19 +/- 0.22   0.009% *  0.3131% (0.53   0.02   0.02) =   0.000%
          QG2   ILE  103 - QG2   VAL   75  10.24 +/- 0.29   0.008% *  0.2447% (0.41   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   75  13.68 +/- 0.25   0.001% *  0.2447% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   VAL   75  12.81 +/- 0.31   0.002% *  0.1042% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 83.1:
    * O T QG1   VAL   75 - QG2   VAL   75   2.08 +/- 0.02  99.997% * 99.5292% (1.00   4.00  83.06) = 100.000%  kept
          QD1   LEU  115 - QG2   VAL   75  11.68 +/- 0.29   0.003% *  0.4708% (0.95   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 903 (0.13, 0.13, 21.81 ppm):
    1 diagonal assignment:
    *     QG2   VAL   75 - QG2   VAL   75  (1.00)  kept
 
    Peak 904 (5.02, 5.02, 52.40 ppm):
    2 diagonal assignments:
    *     HA    ASP-  76 - HA    ASP-  76  (1.00)  kept
          HA    LEU   67 - HA    LEU   67  (0.04)  kept
 
    Peak 905 (2.90, 5.02, 52.40 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.92, residual support = 36.2:
    * O T HB2   ASP-  76 - HA    ASP-  76   3.00 +/- 0.05  93.581% * 98.0895% (1.00   2.92  36.18) =  99.984%  kept
          HB2   ASP-  78 - HA    ASP-  76   5.56 +/- 0.20   2.340% *  0.4871% (0.73   0.02   5.14) =   0.012%
          HB2   ASN   69 - HA    LEU   67   5.66 +/- 0.44   2.418% *  0.1079% (0.16   0.02   3.01) =   0.003%
        T QE    LYS+  66 - HA    LEU   67   7.18 +/- 0.99   1.644% *  0.0245% (0.04   0.02  10.47) =   0.000%
          HB2   ASN   28 - HA    ASP-  76  16.14 +/- 0.50   0.004% *  0.1035% (0.15   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    ASP-  76  17.97 +/- 1.17   0.002% *  0.1493% (0.22   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  76  23.75 +/- 0.47   0.000% *  0.6575% (0.98   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    LEU   67  14.87 +/- 1.80   0.009% *  0.0245% (0.04   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HA    ASP-  76  20.66 +/- 0.46   0.001% *  0.1493% (0.22   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LEU   67  22.46 +/- 0.39   0.001% *  0.1100% (0.16   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LEU   67  26.21 +/- 0.32   0.000% *  0.0799% (0.12   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LEU   67  23.11 +/- 0.30   0.000% *  0.0170% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 906 (2.24, 5.02, 52.40 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 2.99, residual support = 36.2:
    * O T HB3   ASP-  76 - HA    ASP-  76   2.62 +/- 0.19  99.786% * 96.1972% (0.87   2.99  36.18) = 100.000%  kept
          QG    GLN   90 - HA    ASP-  76   8.26 +/- 1.38   0.158% *  0.1005% (0.14   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP-  76  11.84 +/- 1.21   0.018% *  0.6444% (0.87   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    ASP-  76  11.78 +/- 0.17   0.013% *  0.2534% (0.34   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LEU   67  13.21 +/- 0.40   0.007% *  0.1208% (0.16   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  76  17.60 +/- 0.59   0.001% *  0.5677% (0.76   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    ASP-  76  19.16 +/- 0.36   0.001% *  0.7363% (0.99   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   67  12.77 +/- 0.69   0.009% *  0.0457% (0.06   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LEU   67  15.55 +/- 0.67   0.003% *  0.0976% (0.13   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  76  19.37 +/- 0.56   0.001% *  0.2788% (0.38   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LEU   67  15.05 +/- 0.43   0.003% *  0.0416% (0.06   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP-  76  25.17 +/- 0.63   0.000% *  0.5948% (0.80   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   67  21.15 +/- 0.32   0.000% *  0.0931% (0.13   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - HA    LEU   67  22.47 +/- 0.90   0.000% *  0.1057% (0.14   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   67  24.76 +/- 0.54   0.000% *  0.1057% (0.14   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   67  23.19 +/- 0.56   0.000% *  0.0165% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 2.92, residual support = 36.2:
    * O T HA    ASP-  76 - HB2   ASP-  76   3.00 +/- 0.05  98.285% * 99.5267% (1.00   2.92  36.18) =  99.999%  kept
        T HA    LEU   67 - QE    LYS+  66   7.18 +/- 0.99   1.702% *  0.0353% (0.05   0.02  10.47) =   0.001%
        T HA    ASP-  76 - QE    LYS+  33  17.97 +/- 1.17   0.002% *  0.1015% (0.15   0.02   0.02) =   0.000%
        T HA    LEU   67 - QE    LYS+  33  14.87 +/- 1.80   0.009% *  0.0253% (0.04   0.02   0.02) =   0.000%
        T HA    ASP-  76 - QE    LYS+  66  20.66 +/- 0.46   0.001% *  0.1415% (0.21   0.02   0.02) =   0.000%
        T HA    LEU   67 - HB2   ASP-  76  22.46 +/- 0.39   0.001% *  0.1697% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 2.91, residual support = 36.2:
    * O T HB3   ASP-  76 - HB2   ASP-  76   1.75 +/- 0.00  99.725% * 95.3838% (0.87   2.91  36.18) = 100.000%  kept
          HB2   GLU-  29 - QE    LYS+  33   5.92 +/- 1.73   0.250% *  0.0861% (0.11   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ASP-  76   9.36 +/- 1.88   0.008% *  0.1022% (0.14   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  66   8.25 +/- 1.01   0.013% *  0.0589% (0.08   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ASP-  76  14.38 +/- 1.26   0.000% *  0.6552% (0.87   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  33  12.41 +/- 1.47   0.001% *  0.0902% (0.12   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   ASP-  76  13.64 +/- 0.24   0.000% *  0.2576% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ASP-  76  16.44 +/- 0.79   0.000% *  0.5772% (0.76   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  66  13.35 +/- 0.94   0.001% *  0.1556% (0.21   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   ASP-  76  21.57 +/- 0.33   0.000% *  0.7486% (0.99   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  33  14.53 +/- 1.20   0.000% *  0.0384% (0.05   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  33  18.31 +/- 1.26   0.000% *  0.0977% (0.13   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   ASP-  76  22.07 +/- 0.63   0.000% *  0.2835% (0.38   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  33  19.27 +/- 1.38   0.000% *  0.1117% (0.15   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  66  16.97 +/- 0.72   0.000% *  0.0536% (0.07   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  66  19.90 +/- 1.34   0.000% *  0.1257% (0.17   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   ASP-  76  26.18 +/- 0.72   0.000% *  0.6048% (0.80   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  66  21.30 +/- 0.59   0.000% *  0.1362% (0.18   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  66  22.22 +/- 1.01   0.000% *  0.1362% (0.18   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  66  25.01 +/- 0.84   0.000% *  0.1200% (0.16   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  33  23.09 +/- 1.65   0.000% *  0.0423% (0.06   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  33  26.32 +/- 1.33   0.000% *  0.0977% (0.13   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  33  19.95 +/- 1.51   0.000% *  0.0152% (0.02   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  66  22.27 +/- 0.59   0.000% *  0.0213% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 910 (5.02, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.99, residual support = 36.2:
    * O T HA    ASP-  76 - HB3   ASP-  76   2.62 +/- 0.19 100.000% * 99.8332% (0.87   2.99  36.18) = 100.000%  kept
        T HA    LEU   67 - HB3   ASP-  76  22.47 +/- 0.90   0.000% *  0.1668% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 2.91, residual support = 36.2:
    * O T HB2   ASP-  76 - HB3   ASP-  76   1.75 +/- 0.00  98.211% * 98.4408% (0.87   2.91  36.18) =  99.991%  kept
          HB2   ASP-  78 - HB3   ASP-  76   3.92 +/- 0.84   1.788% *  0.4910% (0.63   0.02   5.14) =   0.009%
          HB2   ASN   28 - HB3   ASP-  76  16.19 +/- 0.57   0.000% *  0.1043% (0.13   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HB3   ASP-  76  18.31 +/- 1.26   0.000% *  0.1505% (0.19   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  76  25.09 +/- 1.11   0.000% *  0.6628% (0.85   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HB3   ASP-  76  22.22 +/- 1.01   0.000% *  0.1505% (0.19   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 912 (2.24, 2.24, 42.19 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  76 - HB3   ASP-  76  (0.75)  kept
 
    Peak 913 (3.58, 3.58, 65.17 ppm):
    1 diagonal assignment:
    *     HA    THR   77 - HA    THR   77  (1.00)  kept
 
    Peak 914 (4.28, 3.58, 65.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.7:
    * O T HB    THR   77 - HA    THR   77   2.56 +/- 0.05  99.284% * 95.5113% (1.00   3.00  37.69) =  99.996%  kept
          HA    GLU-  79 - HA    THR   77   6.20 +/- 0.15   0.497% *  0.4374% (0.69   0.02   0.02) =   0.002%
          HA    SER   85 - HA    THR   77   7.50 +/- 0.44   0.168% *  0.6367% (1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HA    THR   77  10.08 +/- 0.14   0.027% *  0.6311% (0.99   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    THR   77  11.04 +/- 0.47   0.016% *  0.2390% (0.38   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    THR   77  13.76 +/- 0.39   0.004% *  0.3099% (0.49   0.02   0.02) =   0.000%
          HA    ILE  103 - HA    THR   77  18.26 +/- 0.33   0.001% *  0.6241% (0.98   0.02   0.02) =   0.000%
          HA    ALA   57 - HA    THR   77  14.58 +/- 0.43   0.003% *  0.1418% (0.22   0.02   0.02) =   0.000%
          HA    THR   39 - HA    THR   77  23.86 +/- 0.19   0.000% *  0.3862% (0.61   0.02   0.02) =   0.000%
          HA    MET   11 - HA    THR   77  32.71 +/- 4.38   0.000% *  0.6241% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    THR   77  24.97 +/- 1.12   0.000% *  0.1965% (0.31   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    THR   77  30.13 +/- 2.49   0.000% *  0.2618% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 915 (1.30, 3.58, 65.17 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.7:
    * O T QG2   THR   77 - HA    THR   77   2.43 +/- 0.05  99.939% * 98.6696% (1.00   3.00  37.69) = 100.000%  kept
          QB    ALA   88 - HA    THR   77   9.01 +/- 0.41   0.041% *  0.5267% (0.80   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    THR   77  10.24 +/- 0.43   0.019% *  0.1829% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    THR   77  16.87 +/- 0.60   0.001% *  0.1015% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    THR   77  23.46 +/- 0.23   0.000% *  0.2244% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    THR   77  26.52 +/- 0.48   0.000% *  0.2949% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 916 (3.58, 4.28, 68.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.7:
    * O T HA    THR   77 - HB    THR   77   2.56 +/- 0.05  99.958% * 99.4058% (1.00   3.00  37.69) = 100.000%  kept
          HD2   PRO   93 - HB    THR   77   9.64 +/- 0.65   0.039% *  0.2971% (0.45   0.02   0.02) =   0.000%
          HB2   TRP   27 - HB    THR   77  14.05 +/- 0.52   0.004% *  0.2971% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 917 (4.28, 4.28, 68.30 ppm):
    1 diagonal assignment:
    *     HB    THR   77 - HB    THR   77  (1.00)  kept
 
    Peak 918 (1.30, 4.28, 68.30 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.83, residual support = 37.7:
    * O T QG2   THR   77 - HB    THR   77   2.16 +/- 0.01  99.975% * 98.5913% (1.00   2.83  37.69) = 100.000%  kept
          QB    ALA   88 - HB    THR   77   8.90 +/- 0.49   0.021% *  0.5577% (0.80   0.02   0.02) =   0.000%
        T QG2   THR   23 - HB    THR   77  12.12 +/- 0.41   0.003% *  0.1937% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB    THR   77  15.73 +/- 0.63   0.001% *  0.1075% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB    THR   77  25.14 +/- 0.30   0.000% *  0.2376% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB    THR   77  28.57 +/- 0.55   0.000% *  0.3123% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 919 (3.58, 1.30, 23.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.7:
    * O T HA    THR   77 - QG2   THR   77   2.43 +/- 0.05  99.704% * 99.4058% (1.00   3.00  37.69) =  99.999%  kept
          HD2   PRO   93 - QG2   THR   77   6.61 +/- 0.52   0.285% *  0.2971% (0.45   0.02   0.02) =   0.001%
          HB2   TRP   27 - QG2   THR   77  11.14 +/- 0.46   0.011% *  0.2971% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 920 (4.28, 1.30, 23.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.83, residual support = 37.7:
    * O T HB    THR   77 - QG2   THR   77   2.16 +/- 0.01  99.726% * 95.2561% (1.00   2.83  37.69) =  99.998%  kept
          HA    SER   85 - QG2   THR   77   7.01 +/- 0.58   0.099% *  0.6729% (1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - QG2   THR   77   7.08 +/- 0.11   0.080% *  0.6670% (0.99   0.02   0.02) =   0.001%
          HA    GLU-  79 - QG2   THR   77   7.42 +/- 0.08   0.060% *  0.4623% (0.69   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   77   9.50 +/- 0.39   0.014% *  0.3276% (0.49   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   THR   77  10.06 +/- 0.51   0.010% *  0.2526% (0.38   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   77  10.32 +/- 0.39   0.009% *  0.1498% (0.22   0.02   0.02) =   0.000%
          HA    ILE  103 - QG2   THR   77  14.70 +/- 0.28   0.001% *  0.6596% (0.98   0.02   0.02) =   0.000%
          HA    THR   39 - QG2   THR   77  19.73 +/- 0.22   0.000% *  0.4082% (0.61   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   77  27.63 +/- 3.58   0.000% *  0.6596% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   THR   77  21.05 +/- 0.89   0.000% *  0.2077% (0.31   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   THR   77  25.44 +/- 2.01   0.000% *  0.2767% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 921 (1.30, 1.30, 23.34 ppm):
    1 diagonal assignment:
    *     QG2   THR   77 - QG2   THR   77  (1.00)  kept
 
    Peak 922 (4.83, 4.83, 56.44 ppm):
    1 diagonal assignment:
    *     HA    ASP-  78 - HA    ASP-  78  (1.00)  kept
 
    Peak 923 (2.91, 4.83, 56.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.02, residual support = 36.7:
    * O T HB2   ASP-  78 - HA    ASP-  78   2.97 +/- 0.11  97.928% * 97.9999% (1.00   3.02  36.67) =  99.990%  kept
          HB2   ASP-  76 - HA    ASP-  78   5.85 +/- 0.50   2.057% *  0.4717% (0.73   0.02   5.14) =   0.010%
          HB2   ASP-  86 - HA    ASP-  78  13.44 +/- 0.47   0.012% *  0.1286% (0.20   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  78  18.18 +/- 0.51   0.002% *  0.3418% (0.53   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  78  21.99 +/- 1.22   0.001% *  0.4202% (0.65   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  78  23.10 +/- 1.38   0.000% *  0.2438% (0.38   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  78  29.88 +/- 0.50   0.000% *  0.3940% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 924 (2.78, 4.83, 56.44 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 36.7:
    * O T HB3   ASP-  78 - HA    ASP-  78   2.70 +/- 0.14  99.900% * 98.9028% (1.00   2.31  36.67) = 100.000%  kept
          QB    CYS   50 - HA    ASP-  78   9.07 +/- 0.24   0.071% *  0.2920% (0.34   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASP-  78  11.08 +/- 1.32   0.029% *  0.3213% (0.38   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASP-  78  27.53 +/- 0.52   0.000% *  0.3519% (0.41   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    ASP-  78  26.18 +/- 0.84   0.000% *  0.1321% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (4.83, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.02, residual support = 36.7:
    * O T HA    ASP-  78 - HB2   ASP-  78   2.97 +/- 0.11  99.696% * 98.7888% (1.00   3.02  36.67) =  99.999%  kept
          HA    LEU   80 - HB2   ASP-  78   8.33 +/- 0.27   0.218% *  0.3187% (0.49   0.02   1.04) =   0.001%
          HA    THR   23 - HB2   ASP-  78  10.21 +/- 0.55   0.067% *  0.5680% (0.87   0.02   0.02) =   0.000%
          HB    THR   23 - HB2   ASP-  78  12.56 +/- 0.64   0.019% *  0.2234% (0.34   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB2   ASP-  78  24.80 +/- 0.33   0.000% *  0.1010% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 2.48, residual support = 36.7:
    * O T HB3   ASP-  78 - HB2   ASP-  78   1.75 +/- 0.00  99.981% * 98.9755% (1.00   2.48  36.67) = 100.000%  kept
          QB    CYS   50 - HB2   ASP-  78   8.13 +/- 0.64   0.012% *  0.2726% (0.34   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASP-  78   9.29 +/- 1.26   0.007% *  0.3000% (0.38   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASP-  78  27.07 +/- 0.67   0.000% *  0.3286% (0.41   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASP-  78  26.44 +/- 0.86   0.000% *  0.1233% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 928 (4.83, 2.78, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 36.7:
    * O T HA    ASP-  78 - HB3   ASP-  78   2.70 +/- 0.14  99.896% * 98.4244% (1.00   2.31  36.67) = 100.000%  kept
          HA    LEU   80 - HB3   ASP-  78   9.15 +/- 0.45   0.077% *  0.4146% (0.49   0.02   1.04) =   0.000%
          HA    THR   23 - HB3   ASP-  78  11.30 +/- 0.39   0.021% *  0.7389% (0.87   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP-  78  13.69 +/- 0.42   0.006% *  0.2906% (0.34   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB3   ASP-  78  24.47 +/- 0.58   0.000% *  0.1314% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 929 (2.91, 2.78, 41.22 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.48, residual support = 36.7:
    * O T HB2   ASP-  78 - HB3   ASP-  78   1.75 +/- 0.00  99.589% * 97.5741% (1.00   2.48  36.67) =  99.998%  kept
          HB2   ASP-  76 - HB3   ASP-  78   4.66 +/- 0.67   0.411% *  0.5721% (0.73   0.02   5.14) =   0.002%
          HB2   ASP-  86 - HB3   ASP-  78  15.17 +/- 0.42   0.000% *  0.1559% (0.20   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  78  18.77 +/- 0.57   0.000% *  0.4145% (0.53   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  78  21.62 +/- 1.24   0.000% *  0.5097% (0.65   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  78  21.47 +/- 1.60   0.000% *  0.2957% (0.38   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  78  29.00 +/- 0.77   0.000% *  0.4779% (0.61   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 930 (2.78, 2.78, 41.22 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  78 - HB3   ASP-  78  (1.00)  kept
 
    Peak 931 (4.27, 4.27, 58.55 ppm):
    1 diagonal assignment:
    *     HA    GLU-  79 - HA    GLU-  79  (1.00)  kept
 
    Peak 932 (2.31, 4.27, 58.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.13, residual support = 54.2:
    * O T HB2   GLU-  79 - HA    GLU-  79   2.97 +/- 0.06  99.980% * 97.8318% (1.00   4.13  54.15) = 100.000%  kept
          HG2   MET   92 - HA    GLU-  79  16.76 +/- 1.62   0.006% *  0.4571% (0.97   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  79  14.00 +/- 0.32   0.009% *  0.2873% (0.61   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  79  16.59 +/- 0.53   0.003% *  0.3792% (0.80   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  79  22.53 +/- 0.40   0.001% *  0.4694% (0.99   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HA    GLU-  79  26.83 +/- 0.57   0.000% *  0.4571% (0.97   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  79  28.41 +/- 4.18   0.000% *  0.1181% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 933 (2.38, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.48, residual support = 54.2:
    * O T QG    GLU-  79 - HA    GLU-  79   2.44 +/- 0.16  99.999% * 98.5844% (1.00   3.48  54.15) = 100.000%  kept
          QG    GLN   32 - HA    GLU-  79  19.10 +/- 1.24   0.001% *  0.4913% (0.87   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  79  20.54 +/- 0.34   0.000% *  0.1748% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLU-  79  22.38 +/- 0.31   0.000% *  0.1748% (0.31   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    GLU-  79  27.61 +/- 0.54   0.000% *  0.3207% (0.57   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU-  79  28.70 +/- 0.32   0.000% *  0.2539% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 934 (4.27, 2.31, 31.53 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.13, residual support = 54.2:
    * O T HA    GLU-  79 - HB2   GLU-  79   2.97 +/- 0.06  99.602% * 97.1904% (1.00   4.13  54.15) =  99.999%  kept
          HB    THR   77 - HB2   GLU-  79   7.71 +/- 0.29   0.343% *  0.3232% (0.69   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   GLU-  79  11.71 +/- 0.54   0.029% *  0.3232% (0.69   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  79  12.67 +/- 0.52   0.018% *  0.2854% (0.61   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  79  16.34 +/- 0.43   0.004% *  0.4451% (0.95   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  79  16.11 +/- 0.42   0.004% *  0.3232% (0.69   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  79  21.01 +/- 0.65   0.001% *  0.3768% (0.80   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  79  23.98 +/- 0.58   0.000% *  0.4664% (0.99   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLU-  79  29.45 +/- 4.71   0.000% *  0.2664% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 935 (2.31, 2.31, 31.53 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  79 - HB2   GLU-  79  (1.00)  kept
 
    Peak 936 (2.38, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 54.2:
    * O T QG    GLU-  79 - HB2   GLU-  79   2.33 +/- 0.09  99.999% * 98.5072% (1.00   3.30  54.15) = 100.000%  kept
          QG    GLN   32 - HB2   GLU-  79  18.04 +/- 1.51   0.001% *  0.5181% (0.87   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  79  18.89 +/- 0.50   0.000% *  0.1844% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLU-  79  20.46 +/- 0.59   0.000% *  0.1844% (0.31   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLU-  79  26.11 +/- 0.70   0.000% *  0.3382% (0.57   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLU-  79  26.98 +/- 0.49   0.000% *  0.2678% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 937 (4.27, 2.38, 37.37 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.48, residual support = 54.2:
    * O T HA    GLU-  79 - QG    GLU-  79   2.44 +/- 0.16  99.923% * 96.6830% (1.00   3.48  54.15) = 100.000%  kept
          HB    THR   77 - QG    GLU-  79   8.66 +/- 0.31   0.058% *  0.3816% (0.69   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  79  11.58 +/- 0.33   0.010% *  0.3816% (0.69   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG    GLU-  79  13.27 +/- 0.70   0.005% *  0.3369% (0.61   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  79  16.11 +/- 0.74   0.001% *  0.5255% (0.95   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  79  16.11 +/- 0.75   0.001% *  0.3816% (0.69   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  79  20.30 +/- 0.77   0.000% *  0.4448% (0.80   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  79  22.46 +/- 0.82   0.000% *  0.5506% (0.99   0.02   0.02) =   0.000%
          HA    MET   11 - QG    GLU-  79  26.30 +/- 4.41   0.000% *  0.3145% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 938 (2.31, 2.38, 37.37 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 54.2:
    * O T HB2   GLU-  79 - QG    GLU-  79   2.33 +/- 0.09  99.989% * 97.2991% (1.00   3.30  54.15) = 100.000%  kept
          HG3   GLU-  25 - QG    GLU-  79  11.37 +/- 0.76   0.008% *  0.3578% (0.61   0.02   0.02) =   0.000%
          HG2   MET   92 - QG    GLU-  79  16.22 +/- 1.38   0.001% *  0.5694% (0.97   0.02   0.02) =   0.000%
          HG2   PRO   52 - QG    GLU-  79  15.89 +/- 0.61   0.001% *  0.4724% (0.80   0.02   0.02) =   0.000%
          QG    GLU- 114 - QG    GLU-  79  21.00 +/- 0.44   0.000% *  0.5848% (0.99   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG    GLU-  79  22.87 +/- 0.93   0.000% *  0.5694% (0.97   0.02   0.02) =   0.000%
          QB    MET   11 - QG    GLU-  79  23.58 +/- 3.85   0.000% *  0.1471% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 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 = 5.28, residual support = 79.9:
    *   T QD1   LEU   80 - HA    LEU   80   2.95 +/- 0.75  99.770% * 98.2235% (0.65   5.28  79.86) =  99.999%  kept
          QD1   LEU   73 - HA    LEU   80   9.97 +/- 0.63   0.155% *  0.1963% (0.34   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   80  12.48 +/- 0.62   0.038% *  0.4806% (0.84   0.02   0.02) =   0.000%
        T QD2   LEU   98 - HA    LEU   80  12.89 +/- 0.66   0.030% *  0.3722% (0.65   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   80  19.32 +/- 0.59   0.002% *  0.5311% (0.92   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    LEU   80  17.46 +/- 0.62   0.005% *  0.1963% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 943 (4.81, 1.41, 40.36 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.94, residual support = 79.9:
    * O   HA    LEU   80 - HB2   LEU   80   2.61 +/- 0.28  96.824% * 98.7934% (1.00   4.94  79.86) =  99.989%  kept
          HA    THR   23 - HB2   LEU   80   4.97 +/- 0.49   2.817% *  0.3203% (0.80   0.02  10.39) =   0.009%
          HB    THR   23 - HB2   LEU   80   7.26 +/- 0.52   0.249% *  0.3860% (0.97   0.02  10.39) =   0.001%
          HA    ASP-  78 - HB2   LEU   80   8.74 +/- 0.55   0.110% *  0.1947% (0.49   0.02   1.04) =   0.000%
          HA    ASP- 105 - HB2   LEU   80  20.44 +/- 0.85   0.001% *  0.3057% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 944 (1.41, 1.41, 40.36 ppm):
    1 diagonal assignment:
    *     HB2   LEU   80 - HB2   LEU   80  (1.00)  kept
 
    Peak 945 (0.56, 1.41, 40.36 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 4.92, residual support = 79.9:
    * O T QD1   LEU   80 - HB2   LEU   80   2.76 +/- 0.36  99.742% * 98.0974% (0.65   4.92  79.86) =  99.999%  kept
          QD1   LEU   73 - HB2   LEU   80   8.28 +/- 0.61   0.179% *  0.2102% (0.34   0.02   0.02) =   0.000%
        T QG2   VAL   41 - HB2   LEU   80  10.59 +/- 0.61   0.041% *  0.5147% (0.84   0.02   0.02) =   0.000%
        T QD2   LEU   98 - HB2   LEU   80  11.03 +/- 0.65   0.032% *  0.3986% (0.65   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   80  17.48 +/- 0.94   0.002% *  0.5688% (0.92   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB2   LEU   80  15.64 +/- 1.00   0.004% *  0.2102% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 946 (4.81, 0.56, 25.66 ppm):
    10 chemical-shift based assignments, quality = 0.61, support = 4.5, residual support = 59.9:
    *   T HA    LEU   80 - QD1   LEU   80   2.95 +/- 0.75  47.793% * 70.9837% (0.65   5.28  79.86) =  71.315%  kept
          HA    THR   23 - QD1   LEU   80   3.06 +/- 0.93  49.057% * 27.8009% (0.52   2.58  10.39) =  28.669%  kept
          HB    THR   23 - QD1   LEU   80   4.96 +/- 0.85   2.476% *  0.2596% (0.62   0.02  10.39) =   0.014%
          HA    ASP-  78 - QD1   LEU   80   7.72 +/- 1.03   0.438% *  0.1309% (0.31   0.02   1.04) =   0.001%
          HA    ASP- 105 - QD2   LEU   98   8.06 +/- 0.83   0.201% *  0.1178% (0.28   0.02   5.15) =   0.000%
        T HA    LEU   80 - QD2   LEU   98  12.89 +/- 0.66   0.013% *  0.1542% (0.37   0.02   0.02) =   0.000%
          HA    THR   23 - QD2   LEU   98  13.22 +/- 0.46   0.010% *  0.1235% (0.30   0.02   0.02) =   0.000%
          HB    THR   23 - QD2   LEU   98  14.02 +/- 0.42   0.007% *  0.1488% (0.36   0.02   0.02) =   0.000%
          HA    ASP- 105 - QD1   LEU   80  17.80 +/- 1.30   0.003% *  0.2056% (0.49   0.02   0.02) =   0.000%
          HA    ASP-  78 - QD2   LEU   98  16.32 +/- 0.84   0.003% *  0.0751% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 948 (0.56, 0.56, 25.66 ppm):
    2 diagonal assignments:
    *     QD1   LEU   80 - QD1   LEU   80  (0.42)  kept
          QD2   LEU   98 - QD2   LEU   98  (0.24)  kept
 
    Peak 949 (4.10, 4.10, 60.05 ppm):
    1 diagonal assignment:
    *     HA    LYS+  81 - HA    LYS+  81  (1.00)  kept
 
    Peak 950 (1.87, 4.10, 60.05 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 101.1:
    * O T QB    LYS+  81 - HA    LYS+  81   2.36 +/- 0.05  99.645% * 96.6148% (1.00   4.97 101.13) =  99.999%  kept
          HB3   GLN   90 - HA    LYS+  81   6.60 +/- 1.58   0.346% *  0.3850% (0.99   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    LYS+  81  14.96 +/- 0.61   0.002% *  0.3876% (1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  81  13.24 +/- 0.59   0.003% *  0.0969% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  81  15.75 +/- 0.78   0.001% *  0.1458% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+  81  19.04 +/- 0.35   0.000% *  0.3749% (0.97   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  81  18.38 +/- 0.36   0.000% *  0.2821% (0.73   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  81  19.24 +/- 0.64   0.000% *  0.3244% (0.84   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  81  20.04 +/- 0.80   0.000% *  0.3369% (0.87   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  81  21.03 +/- 0.66   0.000% *  0.3483% (0.90   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  81  17.60 +/- 0.55   0.001% *  0.0599% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+  81  27.82 +/- 0.45   0.000% *  0.2199% (0.57   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  81  29.56 +/- 0.33   0.000% *  0.3110% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+  81  24.97 +/- 0.39   0.000% *  0.0526% (0.14   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  81  31.09 +/- 0.50   0.000% *  0.0599% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 4.18, residual support = 101.1:
    * O T QG    LYS+  81 - HA    LYS+  81   2.37 +/- 0.06  99.995% * 98.9359% (1.00   4.18 101.13) = 100.000%  kept
          HD3   LYS+  74 - HA    LYS+  81  13.38 +/- 1.00   0.004% *  0.1054% (0.22   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - HA    LYS+  81  18.04 +/- 1.14   0.001% *  0.4694% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+  81  21.27 +/- 0.53   0.000% *  0.3956% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  81  19.67 +/- 0.40   0.000% *  0.0937% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 952 (1.77, 4.10, 60.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 101.1:
    *   T QD    LYS+  81 - HA    LYS+  81   3.95 +/- 0.36  99.881% * 98.6028% (1.00   3.44 101.13) =  99.999%  kept
          HB    VAL   43 - HA    LYS+  81  12.51 +/- 0.51   0.114% *  0.5682% (0.99   0.02   0.02) =   0.001%
          HB2   LYS+  99 - HA    LYS+  81  23.59 +/- 0.64   0.002% *  0.5720% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  81  23.56 +/- 0.61   0.002% *  0.2570% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 953 (3.11, 4.10, 60.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 101.1:
    *   T QE    LYS+  81 - HA    LYS+  81   3.19 +/- 0.53  99.983% * 99.8983% (1.00   3.44 101.13) = 100.000%  kept
          HB3   TRP   49 - HA    LYS+  81  14.62 +/- 0.39   0.017% *  0.1017% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 954 (4.10, 1.87, 32.96 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 101.1:
    * O T HA    LYS+  81 - QB    LYS+  81   2.36 +/- 0.05  99.927% * 98.6830% (1.00   4.97 101.13) = 100.000%  kept
        T HA    ARG+  54 - HB3   PRO   52   8.00 +/- 0.07   0.066% *  0.0294% (0.07   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    LYS+  81  14.06 +/- 0.46   0.002% *  0.0695% (0.18   0.02   0.02) =   0.000%
        T HA    ARG+  54 - QB    LYS+  81  19.52 +/- 0.62   0.000% *  0.2567% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  81  24.79 +/- 0.43   0.000% *  0.3889% (0.98   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HB3   PRO   52  17.60 +/- 0.55   0.001% *  0.0455% (0.11   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   PRO   52  13.35 +/- 0.36   0.003% *  0.0070% (0.02   0.02   0.02) =   0.000%
        T HA    LEU  115 - QB    LYS+  81  21.53 +/- 0.42   0.000% *  0.0612% (0.15   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    LYS+  81  32.88 +/- 0.71   0.000% *  0.3032% (0.76   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    LYS+  81  27.24 +/- 0.30   0.000% *  0.0612% (0.15   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   PRO   52  28.00 +/- 0.40   0.000% *  0.0348% (0.09   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB3   PRO   52  22.80 +/- 0.38   0.000% *  0.0070% (0.02   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   PRO   52  34.49 +/- 0.27   0.000% *  0.0446% (0.11   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   PRO   52  26.59 +/- 0.54   0.000% *  0.0080% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 4.49, residual support = 101.1:
    * O T QG    LYS+  81 - QB    LYS+  81   2.10 +/- 0.02  99.988% * 98.8479% (1.00   4.49 101.13) = 100.000%  kept
          HD3   LYS+  74 - QB    LYS+  81  13.77 +/- 0.92   0.001% *  0.0979% (0.22   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - QB    LYS+  81  18.09 +/- 1.02   0.000% *  0.4359% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   PRO   52  10.09 +/- 0.27   0.008% *  0.0100% (0.02   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+  81  20.63 +/- 0.52   0.000% *  0.3674% (0.84   0.02   0.02) =   0.000%
        T QG    LYS+  81 - HB3   PRO   52  15.88 +/- 0.64   0.001% *  0.0505% (0.11   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  81  19.35 +/- 0.44   0.000% *  0.0870% (0.20   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   PRO   52  13.84 +/- 0.48   0.001% *  0.0112% (0.03   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - HB3   PRO   52  18.63 +/- 0.75   0.000% *  0.0500% (0.11   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HB3   PRO   52  29.31 +/- 0.76   0.000% *  0.0421% (0.10   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 957 (1.77, 1.87, 32.96 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 101.1:
    * O T QD    LYS+  81 - QB    LYS+  81   2.36 +/- 0.11  99.995% * 98.5099% (1.00   3.74 101.13) = 100.000%  kept
          HB    VAL   43 - QB    LYS+  81  13.43 +/- 0.45   0.003% *  0.5216% (0.99   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HB3   PRO   52  15.96 +/- 0.70   0.001% *  0.0604% (0.11   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    LYS+  81  23.13 +/- 0.56   0.000% *  0.5251% (1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HB3   PRO   52  17.14 +/- 0.39   0.001% *  0.0598% (0.11   0.02   0.02) =   0.000%
          HB3   GLN   17 - QB    LYS+  81  22.85 +/- 0.57   0.000% *  0.2359% (0.45   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   52  26.61 +/- 0.49   0.000% *  0.0602% (0.11   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   PRO   52  24.00 +/- 0.49   0.000% *  0.0271% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 958 (3.11, 1.87, 32.96 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 101.1:
    *     QE    LYS+  81 - QB    LYS+  81   2.13 +/- 0.35  99.962% * 99.8347% (1.00   3.74 101.13) = 100.000%  kept
          HB3   TRP   49 - HB3   PRO   52   9.01 +/- 0.08   0.034% *  0.0107% (0.02   0.02   3.50) =   0.000%
          HB3   TRP   49 - QB    LYS+  81  13.54 +/- 0.44   0.003% *  0.0934% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  81 - HB3   PRO   52  15.13 +/- 1.36   0.002% *  0.0612% (0.11   0.02   0.02) =   0.000%
    Distance limit 5.39 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 = 4.18, residual support = 101.1:
    * O T HA    LYS+  81 - QG    LYS+  81   2.37 +/- 0.06  99.891% * 97.3972% (1.00   4.18 101.13) = 100.000%  kept
          HA    GLU-  36 - HG2   LYS+  33   8.49 +/- 0.44   0.051% *  0.2188% (0.47   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+  33   9.11 +/- 0.58   0.035% *  0.0391% (0.08   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+ 106  10.30 +/- 0.76   0.017% *  0.0158% (0.03   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    LYS+  81  14.18 +/- 0.48   0.002% *  0.0816% (0.18   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    LYS+  81  17.80 +/- 0.57   0.001% *  0.3016% (0.65   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+ 106  18.04 +/- 1.14   0.001% *  0.1026% (0.22   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+  33  21.27 +/- 0.53   0.000% *  0.2232% (0.48   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  81  24.82 +/- 0.40   0.000% *  0.4570% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   LYS+ 106  21.07 +/- 0.98   0.000% *  0.1005% (0.22   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+ 106  20.79 +/- 0.77   0.000% *  0.0784% (0.17   0.02   0.02) =   0.000%
          HA    LEU  115 - QG    LYS+  81  20.84 +/- 0.49   0.000% *  0.0719% (0.15   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+  33  25.11 +/- 1.93   0.000% *  0.1706% (0.37   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+  33  19.30 +/- 1.35   0.000% *  0.0344% (0.07   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+ 106  17.47 +/- 1.34   0.001% *  0.0180% (0.04   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+ 106  21.69 +/- 0.69   0.000% *  0.0664% (0.14   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+  33  27.06 +/- 0.98   0.000% *  0.1444% (0.31   0.02   0.02) =   0.000%
          HA    ALA  124 - QG    LYS+  81  32.05 +/- 0.64   0.000% *  0.3563% (0.76   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+ 106  20.04 +/- 0.61   0.000% *  0.0158% (0.03   0.02   0.02) =   0.000%
          HA    LYS+  66 - QG    LYS+  81  26.00 +/- 0.33   0.000% *  0.0719% (0.15   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+  33  23.94 +/- 1.21   0.000% *  0.0344% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 0.788, support = 4.85, residual support = 117.9:
    * O T QB    LYS+  81 - QG    LYS+  81   2.10 +/- 0.02  43.835% * 52.6438% (1.00   4.49 101.13) =  65.207%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.26 +/- 0.08  28.483% * 30.6980% (0.46   5.67 156.51) =  24.707%  kept
      O T QB    LYS+ 106 - HG2   LYS+ 106   2.29 +/- 0.13  27.064% * 13.1863% (0.22   5.13 131.61) =  10.084%  kept
          HB    ILE  103 - HG2   LYS+ 106   5.22 +/- 0.94   0.332% *  0.0430% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   6.91 +/- 1.53   0.057% *  0.2322% (0.99   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  33   5.74 +/- 0.78   0.151% *  0.0421% (0.18   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+ 106   6.24 +/- 0.38   0.070% *  0.0462% (0.20   0.02  20.85) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  10.57 +/- 1.09   0.003% *  0.0635% (0.27   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  15.18 +/- 0.66   0.000% *  0.2337% (1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  12.59 +/- 0.71   0.001% *  0.0584% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  15.20 +/- 0.75   0.000% *  0.0879% (0.38   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  17.50 +/- 0.80   0.000% *  0.2032% (0.87   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  16.97 +/- 0.48   0.000% *  0.1701% (0.73   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  18.02 +/- 0.40   0.000% *  0.2261% (0.97   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  16.32 +/- 1.38   0.000% *  0.0898% (0.38   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  17.49 +/- 1.07   0.000% *  0.1119% (0.48   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  19.46 +/- 0.62   0.000% *  0.1956% (0.84   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  15.94 +/- 1.13   0.000% *  0.0511% (0.22   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  18.43 +/- 1.35   0.000% *  0.1006% (0.43   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.19 +/- 1.11   0.000% *  0.0937% (0.40   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  20.63 +/- 0.60   0.000% *  0.2101% (0.90   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  15.70 +/- 0.70   0.000% *  0.0374% (0.16   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QG    LYS+  81  15.88 +/- 0.64   0.000% *  0.0361% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  14.38 +/- 0.98   0.000% *  0.0129% (0.05   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  18.09 +/- 1.02   0.000% *  0.0515% (0.22   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  20.63 +/- 0.52   0.000% *  0.1121% (0.48   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  18.58 +/- 1.00   0.000% *  0.0497% (0.21   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  17.58 +/- 1.28   0.000% *  0.0193% (0.08   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  19.22 +/- 0.90   0.000% *  0.0292% (0.12   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  27.37 +/- 0.35   0.000% *  0.1876% (0.80   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  25.20 +/- 0.90   0.000% *  0.1112% (0.47   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  26.54 +/- 0.39   0.000% *  0.1326% (0.57   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  22.24 +/- 0.53   0.000% *  0.0413% (0.18   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  25.29 +/- 0.97   0.000% *  0.0814% (0.35   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  22.99 +/- 0.82   0.000% *  0.0447% (0.19   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  22.74 +/- 0.44   0.000% *  0.0317% (0.14   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 106  18.43 +/- 0.68   0.000% *  0.0080% (0.03   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+ 106  18.63 +/- 0.75   0.000% *  0.0080% (0.03   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  28.38 +/- 1.10   0.000% *  0.0973% (0.42   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  20.35 +/- 0.71   0.000% *  0.0070% (0.03   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.93 +/- 0.79   0.000% *  0.0280% (0.12   0.02   0.02) =   0.000%
          HG    LEU  123 - QG    LYS+  81  29.02 +/- 0.51   0.000% *  0.0361% (0.15   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+  33  26.39 +/- 1.80   0.000% *  0.0173% (0.07   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  25.96 +/- 1.06   0.000% *  0.0152% (0.06   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+  33  29.31 +/- 0.76   0.000% *  0.0173% (0.07   0.02   0.02) =   0.000%
    Distance limit 2.74 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 = 3.71, residual support = 101.1:
    * O T QD    LYS+  81 - QG    LYS+  81   2.04 +/- 0.02  99.980% * 97.4570% (1.00   3.71 101.13) = 100.000%  kept
          HB    VAL   43 - HG2   LYS+ 106   9.91 +/- 1.04   0.010% *  0.1146% (0.22   0.02   0.02) =   0.000%
          HB    VAL   43 - QG    LYS+  81  12.82 +/- 0.46   0.002% *  0.5209% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+ 106  11.10 +/- 0.39   0.004% *  0.1154% (0.22   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+  33  13.24 +/- 1.03   0.002% *  0.2494% (0.47   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+  33  13.77 +/- 1.45   0.001% *  0.2510% (0.48   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+  33  13.83 +/- 0.94   0.001% *  0.1128% (0.21   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    LYS+  81  23.04 +/- 0.61   0.000% *  0.5243% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG    LYS+  81  21.31 +/- 0.56   0.000% *  0.2356% (0.45   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+ 106  19.50 +/- 1.22   0.000% *  0.1156% (0.22   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+  33  22.00 +/- 0.42   0.000% *  0.2516% (0.48   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 106  23.65 +/- 0.86   0.000% *  0.0518% (0.10   0.02   0.02) =   0.000%
    Distance limit 2.55 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 = 3.71, residual support = 101.1:
    * O   QE    LYS+  81 - QG    LYS+  81   2.31 +/- 0.12  99.994% * 99.4656% (1.00   3.71 101.13) = 100.000%  kept
          HB3   TRP   49 - QG    LYS+  81  12.04 +/- 0.50   0.006% *  0.0939% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+ 106  18.16 +/- 1.47   0.001% *  0.1180% (0.22   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+  33  21.62 +/- 0.63   0.000% *  0.2568% (0.48   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+ 106  23.91 +/- 0.94   0.000% *  0.0207% (0.04   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+  33  30.15 +/- 0.60   0.000% *  0.0450% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 964 (4.10, 1.77, 29.62 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 101.1:
    *   T HA    LYS+  81 - QD    LYS+  81   3.95 +/- 0.36  99.957% * 98.3559% (1.00   3.44 101.13) = 100.000%  kept
          HA    ARG+  54 - QD    LYS+  81  18.20 +/- 0.57   0.012% *  0.3699% (0.65   0.02   0.02) =   0.000%
          HA    ASN   28 - QD    LYS+  81  16.01 +/- 0.40   0.025% *  0.1001% (0.18   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  81  26.67 +/- 0.38   0.001% *  0.5605% (0.98   0.02   0.02) =   0.000%
          HA    LEU  115 - QD    LYS+  81  21.86 +/- 0.57   0.004% *  0.0882% (0.15   0.02   0.02) =   0.000%
          HA    ALA  124 - QD    LYS+  81  33.48 +/- 0.85   0.000% *  0.4370% (0.76   0.02   0.02) =   0.000%
          HA    LYS+  66 - QD    LYS+  81  27.43 +/- 0.37   0.001% *  0.0882% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 965 (1.87, 1.77, 29.62 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 101.1:
    * O T QB    LYS+  81 - QD    LYS+  81   2.36 +/- 0.11  99.689% * 95.5514% (1.00   3.74 101.13) =  99.998%  kept
          HB3   GLN   90 - QD    LYS+  81   7.11 +/- 1.52   0.302% *  0.5059% (0.99   0.02   0.02) =   0.002%
          HB2   MET   92 - QD    LYS+  81  12.84 +/- 0.85   0.005% *  0.1273% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  81  16.30 +/- 0.74   0.001% *  0.5093% (1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  81  17.71 +/- 0.92   0.001% *  0.4428% (0.87   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  81  17.62 +/- 0.50   0.001% *  0.3707% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  81  19.70 +/- 0.35   0.000% *  0.4926% (0.97   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  81  17.08 +/- 0.72   0.001% *  0.1916% (0.38   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  81  20.89 +/- 0.72   0.000% *  0.4264% (0.84   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QD    LYS+  81  15.96 +/- 0.70   0.001% *  0.0788% (0.15   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  81  22.05 +/- 0.65   0.000% *  0.4578% (0.90   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  81  28.98 +/- 0.31   0.000% *  0.4087% (0.80   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  81  28.39 +/- 0.42   0.000% *  0.2890% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  81  23.57 +/- 0.45   0.000% *  0.0691% (0.14   0.02   0.02) =   0.000%
          HG    LEU  123 - QD    LYS+  81  30.23 +/- 0.59   0.000% *  0.0788% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.74 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 = 3.71, residual support = 101.1:
    * O T QG    LYS+  81 - QD    LYS+  81   2.04 +/- 0.02  99.998% * 98.8029% (1.00   3.71 101.13) = 100.000%  kept
          HD3   LYS+  74 - QD    LYS+  81  13.15 +/- 0.89   0.002% *  0.1186% (0.22   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - QD    LYS+  81  19.50 +/- 1.22   0.000% *  0.5280% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  81  22.00 +/- 0.42   0.000% *  0.4450% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  81  19.55 +/- 0.66   0.000% *  0.1054% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 967 (1.77, 1.77, 29.62 ppm):
    1 diagonal assignment:
    *     QD    LYS+  81 - QD    LYS+  81  (1.00)  kept
 
    Peak 968 (3.11, 1.77, 29.62 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 101.1:
    * O   QE    LYS+  81 - QD    LYS+  81   2.09 +/- 0.02  99.996% * 99.8834% (1.00   3.00 101.13) = 100.000%  kept
          HB3   TRP   49 - QD    LYS+  81  11.40 +/- 0.51   0.004% *  0.1166% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 969 (4.10, 3.11, 42.12 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 101.1:
    *   T HA    LYS+  81 - QE    LYS+  81   3.19 +/- 0.53  99.981% * 98.3559% (1.00   3.44 101.13) = 100.000%  kept
          HA    ARG+  54 - QE    LYS+  81  17.75 +/- 0.98   0.005% *  0.3699% (0.65   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    LYS+  81  15.57 +/- 0.87   0.012% *  0.1001% (0.18   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  81  26.07 +/- 0.73   0.000% *  0.5605% (0.98   0.02   0.02) =   0.000%
          HA    LEU  115 - QE    LYS+  81  20.66 +/- 1.03   0.002% *  0.0882% (0.15   0.02   0.02) =   0.000%
          HA    ALA  124 - QE    LYS+  81  32.45 +/- 0.98   0.000% *  0.4370% (0.76   0.02   0.02) =   0.000%
          HA    LYS+  66 - QE    LYS+  81  26.68 +/- 0.67   0.000% *  0.0882% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 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 = 33.5:
    * O T HB2   SER   82 - HA    SER   82   2.72 +/- 0.11  98.930% * 94.1983% (0.95   2.96  33.46) =  99.998%  kept
          HA    GLU-  29 - HA    GLU-  25   6.06 +/- 0.34   0.891% *  0.1892% (0.28   0.02   0.22) =   0.002%
          HA    ALA   88 - HA    SER   82   8.96 +/- 0.19   0.080% *  0.5147% (0.76   0.02   0.02) =   0.000%
        T HB2   SER   82 - HA    GLU-  25  10.18 +/- 1.07   0.048% *  0.2064% (0.31   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    GLU-  25  10.69 +/- 0.21   0.028% *  0.1584% (0.24   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    SER   82  14.99 +/- 0.59   0.004% *  0.6371% (0.95   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    GLU-  25  12.74 +/- 0.33   0.010% *  0.1584% (0.24   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    SER   82  17.16 +/- 0.82   0.002% *  0.5842% (0.87   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   82  19.23 +/- 0.69   0.001% *  0.4891% (0.73   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    GLU-  25  17.32 +/- 0.36   0.002% *  0.1957% (0.29   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    SER   82  19.70 +/- 0.45   0.001% *  0.3543% (0.53   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    SER   82  21.81 +/- 0.57   0.000% *  0.6040% (0.90   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    GLU-  25  18.61 +/- 0.64   0.001% *  0.1667% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   82  22.48 +/- 0.66   0.000% *  0.4891% (0.73   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    GLU-  25  20.59 +/- 0.35   0.001% *  0.2064% (0.31   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    GLU-  25  19.72 +/- 0.30   0.001% *  0.0897% (0.13   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    SER   82  25.11 +/- 0.48   0.000% *  0.2769% (0.41   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   82  29.23 +/- 0.37   0.000% *  0.2769% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    GLU-  25  25.58 +/- 0.37   0.000% *  0.1148% (0.17   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    GLU-  25  31.71 +/- 0.42   0.000% *  0.0897% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 976 (3.85, 4.20, 61.23 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 33.5:
    * O T HB3   SER   82 - HA    SER   82   2.98 +/- 0.05  99.709% * 93.7438% (1.00   2.00  33.46) =  99.999%  kept
        T HB3   SER   82 - HA    GLU-  25   9.73 +/- 0.95   0.108% *  0.3037% (0.32   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   82  10.92 +/- 0.25   0.042% *  0.6439% (0.69   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    GLU-  25   9.11 +/- 0.28   0.126% *  0.1719% (0.18   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   82  18.51 +/- 0.71   0.002% *  0.5307% (0.57   0.02   0.02) =   0.000%
          HB    THR   39 - HA    GLU-  25  17.17 +/- 0.65   0.003% *  0.2536% (0.27   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    GLU-  25  16.76 +/- 0.66   0.003% *  0.2086% (0.22   0.02   0.02) =   0.000%
          QB    SER   13 - HA    GLU-  25  20.03 +/- 3.03   0.003% *  0.2634% (0.28   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   82  20.49 +/- 0.48   0.001% *  0.6064% (0.65   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    GLU-  25  18.93 +/- 0.42   0.002% *  0.2086% (0.22   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   82  24.05 +/- 0.77   0.000% *  0.7830% (0.84   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   82  24.95 +/- 0.74   0.000% *  0.6439% (0.69   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   82  28.12 +/- 3.10   0.000% *  0.8132% (0.87   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    SER   82  20.75 +/- 0.61   0.001% *  0.1855% (0.20   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   82  25.49 +/- 0.38   0.000% *  0.2893% (0.31   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    GLU-  25  26.98 +/- 0.38   0.000% *  0.1964% (0.21   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    GLU-  25  24.27 +/- 0.50   0.000% *  0.0601% (0.06   0.02   0.02) =   0.000%
          HB    THR  118 - HA    GLU-  25  27.57 +/- 0.44   0.000% *  0.0937% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 33.5:
    * O T HA    SER   82 - HB2   SER   82   2.72 +/- 0.11  99.887% * 97.6118% (0.95   2.96  33.46) = 100.000%  kept
        T HA    GLU-  25 - HB2   SER   82  10.18 +/- 1.07   0.049% *  0.4004% (0.57   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    SER   48  10.55 +/- 0.19   0.030% *  0.0635% (0.09   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    VAL   70  11.46 +/- 0.28   0.019% *  0.0860% (0.12   0.02   0.02) =   0.000%
        T HA    SER   82 - HA    SER   48  14.99 +/- 0.59   0.004% *  0.3625% (0.52   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    VAL   70  13.42 +/- 0.21   0.007% *  0.0637% (0.09   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    SER   48  17.54 +/- 0.46   0.001% *  0.1360% (0.19   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   SER   82  19.57 +/- 0.85   0.001% *  0.2478% (0.36   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    SER   48  20.59 +/- 0.35   0.001% *  0.2199% (0.32   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    VAL   70  19.72 +/- 0.30   0.001% *  0.1390% (0.20   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    SER   48  21.25 +/- 0.49   0.000% *  0.1008% (0.14   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   SER   82  22.11 +/- 0.44   0.000% *  0.1156% (0.17   0.02   0.02) =   0.000%
        T HA    SER   82 - HA    VAL   70  25.11 +/- 0.48   0.000% *  0.2292% (0.33   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    VAL   70  20.36 +/- 0.22   0.001% *  0.0401% (0.06   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB2   SER   82  29.09 +/- 0.60   0.000% *  0.1836% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 2.37, residual support = 33.5:
    * O T HB3   SER   82 - HB2   SER   82   1.75 +/- 0.00  99.674% * 92.2341% (0.95   2.37  33.46) =  99.999%  kept
          HB    THR   39 - HA    VAL   70   4.80 +/- 0.52   0.289% *  0.2254% (0.27   0.02   0.02) =   0.001%
        T HB3   SER   37 - HA    VAL   70   7.67 +/- 0.83   0.017% *  0.1854% (0.23   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    SER   48   8.42 +/- 0.24   0.008% *  0.2761% (0.34   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    SER   48   8.70 +/- 0.28   0.007% *  0.0845% (0.10   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   82  12.66 +/- 0.23   0.001% *  0.5339% (0.65   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   48  12.05 +/- 1.06   0.001% *  0.2932% (0.36   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    VAL   70  11.38 +/- 0.31   0.001% *  0.1528% (0.19   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    VAL   70  12.91 +/- 1.20   0.001% *  0.2341% (0.28   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    SER   48  15.43 +/- 0.46   0.000% *  0.4268% (0.52   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   SER   82  16.86 +/- 1.00   0.000% *  0.4401% (0.54   0.02   0.02) =   0.000%
          HB    THR  118 - HA    VAL   70  15.39 +/- 0.27   0.000% *  0.0833% (0.10   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   SER   82  22.99 +/- 1.22   0.000% *  0.6492% (0.79   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HB2   SER   82  21.98 +/- 0.52   0.000% *  0.5028% (0.61   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   SER   82  23.64 +/- 1.11   0.000% *  0.5339% (0.65   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   SER   82  26.85 +/- 3.15   0.000% *  0.6742% (0.82   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    VAL   70  21.39 +/- 0.23   0.000% *  0.1854% (0.23   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   48  22.48 +/- 0.43   0.000% *  0.2416% (0.29   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   48  25.99 +/- 2.74   0.000% *  0.3702% (0.45   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   SER   82  21.63 +/- 0.65   0.000% *  0.1538% (0.19   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    VAL   70  23.87 +/- 0.76   0.000% *  0.2699% (0.33   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   48  21.88 +/- 0.28   0.000% *  0.1317% (0.16   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   48  26.37 +/- 0.42   0.000% *  0.3565% (0.43   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   82  26.31 +/- 0.57   0.000% *  0.2399% (0.29   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    VAL   70  20.99 +/- 0.26   0.000% *  0.0534% (0.07   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    VAL   70  25.95 +/- 0.24   0.000% *  0.1746% (0.21   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   48  28.34 +/- 0.52   0.000% *  0.2932% (0.36   0.02   0.02) =   0.000%
    Distance limit 2.72 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 = 33.5:
    * O T HA    SER   82 - HB3   SER   82   2.98 +/- 0.05  99.890% * 98.5853% (1.00   2.00  33.46) =  99.999%  kept
        T HA    GLU-  25 - HB3   SER   82   9.73 +/- 0.95   0.108% *  0.5980% (0.61   0.02   0.02) =   0.001%
          HA    ILE   19 - HB3   SER   82  18.81 +/- 0.87   0.002% *  0.3700% (0.38   0.02   0.02) =   0.000%
        T HA    CYS   53 - HB3   SER   82  21.59 +/- 0.45   0.001% *  0.1727% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB3   SER   82  28.47 +/- 0.65   0.000% *  0.2741% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 2.37, residual support = 33.5:
    * O T HB2   SER   82 - HB3   SER   82   1.75 +/- 0.00  99.998% * 94.7057% (0.95   2.37  33.46) = 100.000%  kept
          HA    ALA   88 - HB3   SER   82  11.15 +/- 0.24   0.002% *  0.6448% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB3   SER   82  14.71 +/- 0.92   0.000% *  0.7318% (0.87   0.02   0.02) =   0.000%
        T HA    SER   48 - HB3   SER   82  15.43 +/- 0.46   0.000% *  0.7981% (0.95   0.02   0.02) =   0.000%
          HA    GLN   32 - HB3   SER   82  17.33 +/- 0.91   0.000% *  0.6126% (0.73   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   SER   82  20.45 +/- 0.84   0.000% *  0.7567% (0.90   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   82  20.39 +/- 0.89   0.000% *  0.6126% (0.73   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HB3   SER   82  20.60 +/- 0.43   0.000% *  0.4439% (0.53   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   82  23.87 +/- 0.76   0.000% *  0.3469% (0.41   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   82  29.81 +/- 0.51   0.000% *  0.3469% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 982 (3.85, 3.85, 61.93 ppm):
    1 diagonal assignment:
    *     HB3   SER   82 - HB3   SER   82  (1.00)  kept
 
    Peak 983 (3.81, 3.81, 65.84 ppm):
    1 diagonal assignment:
    *     HA    VAL   83 - HA    VAL   83  (1.00)  kept
 
    Peak 984 (1.66, 3.81, 65.84 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 87.2:
    * O T HB    VAL   83 - HA    VAL   83   2.95 +/- 0.16  99.981% * 97.0068% (0.90   3.97  87.21) = 100.000%  kept
        T HD2   LYS+  74 - HA    VAL   83  14.88 +/- 1.41   0.007% *  0.4166% (0.76   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    VAL   83  16.48 +/- 1.14   0.004% *  0.2046% (0.38   0.02   0.02) =   0.000%
        T QB    ALA   57 - HA    VAL   83  19.10 +/- 0.49   0.001% *  0.2444% (0.45   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    VAL   83  17.06 +/- 0.92   0.003% *  0.1079% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    VAL   83  21.20 +/- 0.65   0.001% *  0.4166% (0.76   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    VAL   83  18.49 +/- 0.35   0.002% *  0.1214% (0.22   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    VAL   83  24.37 +/- 1.13   0.000% *  0.5157% (0.95   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    VAL   83  24.49 +/- 0.58   0.000% *  0.5261% (0.97   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    VAL   83  23.12 +/- 0.57   0.000% *  0.2241% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    VAL   83  30.46 +/- 0.55   0.000% *  0.1079% (0.20   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    VAL   83  31.91 +/- 0.55   0.000% *  0.1079% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 4.21, residual support = 87.2:
    * O T QG1   VAL   83 - HA    VAL   83   2.36 +/- 0.19  98.143% * 98.0646% (0.87   4.21  87.21) =  99.992%  kept
          QD2   LEU   80 - HA    VAL   83   5.31 +/- 0.94   1.768% *  0.4303% (0.80   0.02   0.02) =   0.008%
          QG2   ILE   89 - HA    VAL   83   8.17 +/- 0.15   0.064% *  0.1340% (0.25   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    VAL   83   9.82 +/- 0.52   0.023% *  0.2209% (0.41   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   83  17.23 +/- 0.89   0.001% *  0.5186% (0.97   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   83  16.66 +/- 0.53   0.001% *  0.2209% (0.41   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   83  20.28 +/- 0.43   0.000% *  0.4107% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 986 (0.08, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.47, residual support = 87.2:
    * O T QG2   VAL   83 - HA    VAL   83   2.52 +/- 0.27  99.791% * 99.2786% (1.00   4.47  87.21) =  99.999%  kept
          QD1   ILE   89 - HA    VAL   83   7.92 +/- 0.32   0.130% *  0.3986% (0.90   0.02   0.02) =   0.001%
          QD2   LEU   31 - HA    VAL   83   8.82 +/- 0.60   0.079% *  0.3228% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 987 (3.81, 1.66, 32.03 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 87.2:
    * O T HA    VAL   83 - HB    VAL   83   2.95 +/- 0.16  99.995% * 98.6893% (0.90   3.97  87.21) = 100.000%  kept
        T HA    GLU- 100 - HB    VAL   83  18.91 +/- 1.08   0.001% *  0.4963% (0.89   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB    VAL   83  17.81 +/- 0.55   0.002% *  0.2230% (0.40   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB    VAL   83  22.72 +/- 0.51   0.001% *  0.4930% (0.89   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB    VAL   83  19.97 +/- 0.71   0.001% *  0.0984% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 0.777, support = 4.29, residual support = 87.1:
    * O T QG1   VAL   83 - HB    VAL   83   2.13 +/- 0.01  83.511% * 98.1014% (0.78   4.29  87.21) =  99.915%  kept
          QD2   LEU   80 - HB    VAL   83   3.36 +/- 1.07  16.410% *  0.4221% (0.72   0.02   0.02) =   0.084%
          QG2   ILE   89 - HB    VAL   83   7.40 +/- 0.43   0.051% *  0.1314% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB    VAL   83   8.25 +/- 0.46   0.027% *  0.2167% (0.37   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   83  17.09 +/- 1.21   0.000% *  0.5087% (0.87   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   83  15.45 +/- 0.58   0.001% *  0.2167% (0.37   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   83  19.31 +/- 0.60   0.000% *  0.4029% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 4.53, residual support = 87.2:
    * O T QG2   VAL   83 - HB    VAL   83   2.13 +/- 0.01  99.906% * 99.2881% (0.90   4.53  87.21) = 100.000%  kept
          QD1   ILE   89 - HB    VAL   83   7.70 +/- 0.40   0.047% *  0.3934% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    VAL   83   7.96 +/- 0.66   0.046% *  0.3185% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 4.21, residual support = 87.2:
    * O T HA    VAL   83 - QG1   VAL   83   2.36 +/- 0.19  99.995% * 98.7629% (0.87   4.21  87.21) = 100.000%  kept
          HA    GLU- 100 - QG1   VAL   83  15.17 +/- 0.67   0.002% *  0.4684% (0.87   0.02   0.02) =   0.000%
          HB2   CYS   53 - QG1   VAL   83  16.48 +/- 1.05   0.002% *  0.2105% (0.39   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG1   VAL   83  20.45 +/- 0.96   0.000% *  0.4653% (0.86   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG1   VAL   83  16.07 +/- 0.61   0.001% *  0.0929% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 4.29, residual support = 87.2:
    * O T HB    VAL   83 - QG1   VAL   83   2.13 +/- 0.01  99.987% * 97.2256% (0.78   4.29  87.21) = 100.000%  kept
          HD2   LYS+  74 - QG1   VAL   83  11.42 +/- 1.42   0.006% *  0.3862% (0.66   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG1   VAL   83  12.55 +/- 0.83   0.003% *  0.1000% (0.17   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG1   VAL   83  14.26 +/- 0.94   0.001% *  0.1896% (0.33   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG1   VAL   83  16.88 +/- 0.53   0.000% *  0.3862% (0.66   0.02   0.02) =   0.000%
          QB    ALA   57 - QG1   VAL   83  15.69 +/- 0.84   0.001% *  0.2265% (0.39   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG1   VAL   83  19.40 +/- 1.26   0.000% *  0.4780% (0.82   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG1   VAL   83  15.89 +/- 0.83   0.001% *  0.1125% (0.19   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG1   VAL   83  20.65 +/- 0.77   0.000% *  0.4877% (0.84   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG1   VAL   83  20.60 +/- 0.79   0.000% *  0.2077% (0.36   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG1   VAL   83  25.44 +/- 0.79   0.000% *  0.1000% (0.17   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG1   VAL   83  26.58 +/- 0.79   0.000% *  0.1000% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 4.79, residual support = 87.2:
    * O T QG2   VAL   83 - QG1   VAL   83   2.09 +/- 0.01  99.747% * 99.3266% (0.87   4.79  87.21) =  99.999%  kept
          QD2   LEU   31 - QG1   VAL   83   6.23 +/- 0.61   0.186% *  0.3013% (0.63   0.02   0.02) =   0.001%
        T QD1   ILE   89 - QG1   VAL   83   7.60 +/- 0.66   0.067% *  0.3721% (0.78   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 4.47, residual support = 87.2:
    * O T HA    VAL   83 - QG2   VAL   83   2.52 +/- 0.27  99.990% * 98.8340% (1.00   4.47  87.21) = 100.000%  kept
          HA    GLU- 100 - QG2   VAL   83  14.20 +/- 0.62   0.003% *  0.4415% (1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QG2   VAL   83  14.93 +/- 0.48   0.003% *  0.1984% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG2   VAL   83  18.66 +/- 0.43   0.001% *  0.4386% (0.99   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG2   VAL   83  15.18 +/- 0.72   0.002% *  0.0876% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 4.53, residual support = 87.2:
    * O T HB    VAL   83 - QG2   VAL   83   2.13 +/- 0.01  99.981% * 97.3665% (0.90   4.53  87.21) = 100.000%  kept
          HD2   LYS+  74 - QG2   VAL   83  10.23 +/- 1.07   0.010% *  0.3666% (0.76   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG2   VAL   83  13.00 +/- 0.94   0.002% *  0.1800% (0.38   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG2   VAL   83  12.40 +/- 0.72   0.003% *  0.0949% (0.20   0.02   0.02) =   0.000%
          QB    ALA   57 - QG2   VAL   83  14.33 +/- 0.42   0.001% *  0.2150% (0.45   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG2   VAL   83  16.19 +/- 0.65   0.001% *  0.3666% (0.76   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG2   VAL   83  14.01 +/- 0.42   0.001% *  0.1068% (0.22   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG2   VAL   83  18.13 +/- 0.89   0.000% *  0.4537% (0.95   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG2   VAL   83  18.53 +/- 0.58   0.000% *  0.4629% (0.97   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG2   VAL   83  18.42 +/- 0.39   0.000% *  0.1972% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG2   VAL   83  23.35 +/- 0.52   0.000% *  0.0949% (0.20   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG2   VAL   83  24.52 +/- 0.53   0.000% *  0.0949% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 997 (0.60, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.79, residual support = 87.2:
    * O T QG1   VAL   83 - QG2   VAL   83   2.09 +/- 0.01  91.553% * 98.2951% (0.87   4.79  87.21) =  99.965%  kept
          QD2   LEU   80 - QG2   VAL   83   3.51 +/- 0.66   8.085% *  0.3791% (0.80   0.02   0.02) =   0.034%
          QD1   LEU   73 - QG2   VAL   83   6.12 +/- 0.42   0.164% *  0.1946% (0.41   0.02   0.02) =   0.000%
        T QG2   ILE   89 - QG2   VAL   83   5.93 +/- 0.40   0.193% *  0.1180% (0.25   0.02   0.02) =   0.000%
          QD1   LEU  104 - QG2   VAL   83  12.95 +/- 0.52   0.002% *  0.4568% (0.97   0.02   0.02) =   0.000%
          QD1   LEU   63 - QG2   VAL   83  12.09 +/- 0.63   0.003% *  0.1946% (0.41   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   83  15.40 +/- 0.54   0.001% *  0.3618% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 3.02, residual support = 18.6:
    * O T QB    ALA   84 - HA    ALA   84   2.12 +/- 0.01  99.652% * 94.5201% (0.93   3.02  18.63) =  99.998%  kept
          HB3   LEU   80 - HA    ALA   84   6.15 +/- 1.22   0.329% *  0.4715% (0.70   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HA    ALA   84  12.17 +/- 0.35   0.003% *  0.5994% (0.89   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   84  12.26 +/- 0.25   0.003% *  0.6143% (0.91   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   84  12.73 +/- 1.09   0.002% *  0.6479% (0.96   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   84  10.84 +/- 0.29   0.006% *  0.1446% (0.21   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   84  13.24 +/- 0.41   0.002% *  0.3676% (0.55   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   84  13.70 +/- 0.85   0.001% *  0.2670% (0.40   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   84  17.76 +/- 0.50   0.000% *  0.5424% (0.81   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   84  16.68 +/- 0.55   0.000% *  0.3161% (0.47   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   84  14.97 +/- 0.27   0.001% *  0.1137% (0.17   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   84  19.14 +/- 0.95   0.000% *  0.1619% (0.24   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   84  20.04 +/- 0.27   0.000% *  0.1619% (0.24   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ALA   84  25.99 +/- 0.48   0.000% *  0.6436% (0.96   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   84  21.62 +/- 0.30   0.000% *  0.2004% (0.30   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   84  22.95 +/- 0.61   0.000% *  0.1137% (0.17   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   84  23.17 +/- 1.10   0.000% *  0.1137% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1001 (3.68, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.931, support = 3.02, residual support = 18.6:
    * O T HA    ALA   84 - QB    ALA   84   2.12 +/- 0.01  99.992% * 97.4486% (0.93   3.02  18.63) = 100.000%  kept
          HA2   GLY  109 - QB    ALA   84  10.94 +/- 0.31   0.005% *  0.5592% (0.81   0.02   0.02) =   0.000%
          HB2   TRP   49 - QB    ALA   84  12.83 +/- 0.32   0.002% *  0.6680% (0.96   0.02   0.02) =   0.000%
          HA    THR  118 - QB    ALA   84  18.35 +/- 0.32   0.000% *  0.6680% (0.96   0.02   0.02) =   0.000%
          HA    ILE  119 - QB    ALA   84  18.82 +/- 0.30   0.000% *  0.6562% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1002 (1.35, 1.35, 18.25 ppm):
    1 diagonal assignment:
    *     QB    ALA   84 - QB    ALA   84  (0.93)  kept
 
    Peak 1003 (4.28, 4.28, 61.37 ppm):
    1 diagonal assignment:
    *     HA    SER   85 - HA    SER   85  (1.00)  kept
 
    Peak 1004 (3.96, 4.28, 61.37 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.28, residual support = 18.1:
    * O T QB    SER   85 - HA    SER   85   2.39 +/- 0.08  89.731% * 94.9756% (1.00   2.28  18.07) =  99.972%  kept
          HA    ALA   88 - HA    SER   85   3.47 +/- 0.18  10.238% *  0.2315% (0.28   0.02   0.02) =   0.028%
          HB    THR   94 - HA    SER   85   9.82 +/- 0.54   0.020% *  0.4052% (0.49   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    SER   85  11.73 +/- 0.75   0.007% *  0.5050% (0.61   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HA    SER   85  16.52 +/- 0.57   0.001% *  0.4052% (0.49   0.02   0.02) =   0.000%
          HA    SER   48 - HA    SER   85  13.85 +/- 0.79   0.003% *  0.1127% (0.14   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER   85  20.11 +/- 0.57   0.000% *  0.2840% (0.34   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   85  20.76 +/- 0.43   0.000% *  0.2570% (0.31   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   85  27.37 +/- 0.37   0.000% *  0.8252% (0.99   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER   85  29.10 +/- 0.51   0.000% *  0.8325% (1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   85  21.59 +/- 0.48   0.000% *  0.1285% (0.15   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   85  29.13 +/- 0.51   0.000% *  0.6954% (0.84   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   85  27.39 +/- 0.54   0.000% *  0.3423% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1005 (4.28, 3.96, 63.04 ppm):
    36 chemical-shift based assignments, quality = 1.0, support = 2.28, residual support = 18.1:
    * O T HA    SER   85 - QB    SER   85   2.39 +/- 0.08  94.424% * 91.7526% (1.00   2.28  18.07) =  99.982%  kept
          HA    ASP-  86 - QB    SER   85   4.11 +/- 0.16   3.966% *  0.3019% (0.38   0.02  13.32) =   0.014%
          HB    THR   77 - QB    SER   48   5.22 +/- 0.81   1.318% *  0.1961% (0.24   0.02   0.02) =   0.003%
          HB    THR   77 - QB    SER   85   7.92 +/- 0.80   0.087% *  0.8043% (1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QB    SER   85   8.97 +/- 0.42   0.036% *  0.5525% (0.69   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   48   7.65 +/- 0.41   0.092% *  0.1347% (0.17   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   48   8.51 +/- 0.27   0.048% *  0.0955% (0.12   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   85  13.97 +/- 0.30   0.002% *  0.7972% (0.99   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER   48  11.73 +/- 0.75   0.007% *  0.1961% (0.24   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   85  16.44 +/- 0.53   0.001% *  0.7884% (0.98   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   48  13.16 +/- 0.21   0.003% *  0.1944% (0.24   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER  117  13.56 +/- 0.28   0.003% *  0.1230% (0.15   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER  117  13.82 +/- 0.41   0.003% *  0.1216% (0.15   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  18.51 +/- 0.66   0.000% *  0.3915% (0.49   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  13.40 +/- 0.33   0.003% *  0.0437% (0.05   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER   48  15.63 +/- 0.63   0.001% *  0.0736% (0.09   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   85  23.21 +/- 0.37   0.000% *  0.4878% (0.61   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  19.74 +/- 0.49   0.000% *  0.1791% (0.22   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  15.08 +/- 0.22   0.002% *  0.0276% (0.03   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER  117  20.51 +/- 0.36   0.000% *  0.1241% (0.15   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   48  22.23 +/- 0.46   0.000% *  0.1922% (0.24   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER  117  19.49 +/- 0.47   0.000% *  0.0753% (0.09   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER  117  21.59 +/- 0.48   0.000% *  0.1241% (0.15   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  19.90 +/- 0.32   0.000% *  0.0604% (0.08   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   85  33.26 +/- 3.74   0.000% *  0.7884% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   85  26.76 +/- 1.22   0.000% *  0.2482% (0.31   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   48  31.90 +/- 4.55   0.000% *  0.1922% (0.24   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER  117  21.96 +/- 0.54   0.000% *  0.0466% (0.06   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   85  31.17 +/- 2.12   0.000% *  0.3307% (0.41   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   48  26.65 +/- 0.26   0.000% *  0.1190% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER  117  25.92 +/- 0.37   0.000% *  0.0852% (0.11   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   48  25.19 +/- 1.19   0.000% *  0.0605% (0.08   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   48  29.57 +/- 2.77   0.000% *  0.0806% (0.10   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER  117  33.46 +/- 2.47   0.000% *  0.1216% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER  117  27.18 +/- 0.86   0.000% *  0.0383% (0.05   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER  117  31.40 +/- 1.51   0.000% *  0.0510% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 3.36, residual support = 41.0:
    * O T HB2   ASP-  86 - HA    ASP-  86   3.05 +/- 0.01  99.980% * 97.9941% (1.00   3.36  40.96) = 100.000%  kept
          HB2   ASN   28 - HA    ASP-  86  14.03 +/- 0.79   0.011% *  0.4664% (0.80   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    ASP-  86  18.21 +/- 0.69   0.002% *  0.4865% (0.84   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASP-  86  16.00 +/- 0.34   0.005% *  0.1153% (0.20   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  86  19.97 +/- 1.19   0.001% *  0.4001% (0.69   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  86  27.34 +/- 1.00   0.000% *  0.5377% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1009 (2.44, 4.30, 57.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 41.0:
    * O T HB3   ASP-  86 - HA    ASP-  86   2.54 +/- 0.07  99.979% * 96.7367% (1.00   2.00  40.96) = 100.000%  kept
          HB3   PHE   45 - HA    ASP-  86  12.15 +/- 0.39   0.009% *  0.4709% (0.49   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    ASP-  86  11.95 +/- 0.50   0.010% *  0.3300% (0.34   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  86  19.27 +/- 0.75   0.001% *  0.9336% (0.97   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    ASP-  86  17.29 +/- 0.42   0.001% *  0.1493% (0.15   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    ASP-  86  22.78 +/- 0.37   0.000% *  0.4709% (0.49   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HA    ASP-  86  26.99 +/- 0.49   0.000% *  0.7393% (0.76   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  86  23.39 +/- 0.53   0.000% *  0.1694% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1010 (4.30, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.36, residual support = 41.0:
    * O T HA    ASP-  86 - HB2   ASP-  86   3.05 +/- 0.01  97.946% * 97.2943% (1.00   3.36  40.96) =  99.995%  kept
          HA    SER   85 - HB2   ASP-  86   5.84 +/- 0.09   1.991% *  0.2170% (0.38   0.02  13.32) =   0.005%
          HB    THR   77 - HB2   ASP-  86  11.62 +/- 0.71   0.035% *  0.2170% (0.38   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ASP-  86  13.75 +/- 0.40   0.012% *  0.2593% (0.45   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  86  13.67 +/- 0.63   0.013% *  0.1608% (0.28   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ASP-  86  17.92 +/- 0.64   0.002% *  0.4199% (0.73   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   ASP-  86  26.95 +/- 1.46   0.000% *  0.5732% (0.99   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  86  31.83 +/- 2.34   0.000% *  0.5770% (1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   ASP-  86  34.10 +/- 3.98   0.000% *  0.2815% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 2.73, residual support = 41.0:
    * O T HB3   ASP-  86 - HB2   ASP-  86   1.75 +/- 0.00  99.996% * 97.5916% (1.00   2.73  40.96) = 100.000%  kept
          HB3   PHE   45 - HB2   ASP-  86  11.10 +/- 0.45   0.002% *  0.3475% (0.49   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   ASP-  86  10.67 +/- 0.69   0.002% *  0.2435% (0.34   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  86  16.38 +/- 0.62   0.000% *  0.6890% (0.97   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   ASP-  86  16.67 +/- 0.43   0.000% *  0.1102% (0.15   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   ASP-  86  22.26 +/- 0.38   0.000% *  0.3475% (0.49   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   ASP-  86  25.50 +/- 0.59   0.000% *  0.5456% (0.76   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  86  20.78 +/- 0.55   0.000% *  0.1250% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1013 (4.30, 2.44, 40.49 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 41.0:
    * O T HA    ASP-  86 - HB3   ASP-  86   2.54 +/- 0.07  99.348% * 95.5303% (1.00   2.00  40.96) =  99.998%  kept
          HA    SER   85 - HB3   ASP-  86   5.93 +/- 0.33   0.637% *  0.3585% (0.38   0.02  13.32) =   0.002%
          HB    THR   77 - HB3   ASP-  86  12.37 +/- 0.82   0.008% *  0.3585% (0.38   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   ASP-  86  15.17 +/- 0.52   0.002% *  0.4283% (0.45   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  86  14.72 +/- 1.05   0.003% *  0.2656% (0.28   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   ASP-  86  18.95 +/- 1.03   0.001% *  0.6937% (0.73   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  86  28.18 +/- 1.45   0.000% *  0.9468% (0.99   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  86  32.96 +/- 2.39   0.000% *  0.9532% (1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  86  35.20 +/- 4.02   0.000% *  0.4650% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 2.73, residual support = 41.0:
    * O T HB2   ASP-  86 - HB3   ASP-  86   1.75 +/- 0.00  99.998% * 97.5424% (1.00   2.73  40.96) = 100.000%  kept
          HB2   ASN   28 - HB3   ASP-  86  11.73 +/- 0.80   0.001% *  0.5714% (0.80   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB3   ASP-  86  16.53 +/- 0.92   0.000% *  0.5960% (0.84   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  86  18.23 +/- 1.32   0.000% *  0.4902% (0.69   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASP-  86  15.58 +/- 0.53   0.000% *  0.1412% (0.20   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  86  26.74 +/- 1.17   0.000% *  0.6587% (0.92   0.02   0.02) =   0.000%
    Distance limit 2.83 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 = 65.7:
    * O T HB2   TRP   87 - HA    TRP   87   2.54 +/- 0.04  99.999% * 99.5425% (1.00   4.31  65.68) = 100.000%  kept
          HB2   PHE   60 - HA    TRP   87  18.11 +/- 0.37   0.001% *  0.4575% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 4.26, residual support = 65.7:
    * O T HB3   TRP   87 - HA    TRP   87   3.01 +/- 0.01  99.997% * 99.3295% (1.00   4.26  65.68) = 100.000%  kept
          HG2   GLU-  25 - HA    TRP   87  17.47 +/- 0.82   0.003% *  0.2088% (0.45   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    TRP   87  23.41 +/- 0.41   0.000% *  0.4617% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 65.7:
    * O T HA    TRP   87 - HB2   TRP   87   2.54 +/- 0.04  99.996% * 99.4497% (1.00   4.31  65.68) = 100.000%  kept
          HA    LEU  104 - HB2   TRP   87  14.47 +/- 0.48   0.003% *  0.1896% (0.41   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   TRP   87  19.11 +/- 0.30   0.001% *  0.2983% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   TRP   87  25.44 +/- 1.30   0.000% *  0.0624% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 3.97, residual support = 65.7:
    * O T HB3   TRP   87 - HB2   TRP   87   1.75 +/- 0.00 100.000% * 99.2797% (1.00   3.97  65.68) = 100.000%  kept
          HG2   GLU-  25 - HB2   TRP   87  17.37 +/- 0.72   0.000% *  0.2243% (0.45   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   TRP   87  21.62 +/- 0.35   0.000% *  0.4959% (0.99   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 4.26, residual support = 65.7:
    * O T HA    TRP   87 - HB3   TRP   87   3.01 +/- 0.01  99.994% * 99.4435% (1.00   4.26  65.68) = 100.000%  kept
          HA    LEU  104 - HB3   TRP   87  16.07 +/- 0.50   0.004% *  0.1917% (0.41   0.02   0.02) =   0.000%
        T HA    PHE   59 - HB3   TRP   87  20.00 +/- 0.33   0.001% *  0.3017% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   TRP   87  25.48 +/- 1.28   0.000% *  0.0631% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 3.97, residual support = 65.7:
    * O T HB2   TRP   87 - HB3   TRP   87   1.75 +/- 0.00 100.000% * 99.5029% (1.00   3.97  65.68) = 100.000%  kept
          HB2   PHE   60 - HB3   TRP   87  16.16 +/- 0.32   0.000% *  0.4971% (0.99   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 2.08, residual support = 11.2:
    * O T QB    ALA   88 - HA    ALA   88   2.11 +/- 0.00  99.943% * 96.6439% (1.00   2.08  11.15) = 100.000%  kept
          QG2   THR   77 - HA    ALA   88   7.54 +/- 0.42   0.051% *  0.7444% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   88  11.78 +/- 1.04   0.004% *  0.2318% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   88  14.80 +/- 0.87   0.001% *  0.4168% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   88  17.47 +/- 0.33   0.000% *  0.3489% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   88  22.57 +/- 0.39   0.000% *  0.6750% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   88  26.10 +/- 0.63   0.000% *  0.7765% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   88  20.78 +/- 0.46   0.000% *  0.1628% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 2.08, residual support = 11.2:
    * O T HA    ALA   88 - QB    ALA   88   2.11 +/- 0.00  99.816% * 94.9312% (1.00   2.08  11.15) =  99.999%  kept
          QB    SER   85 - QB    ALA   88   6.09 +/- 0.17   0.175% *  0.2539% (0.28   0.02   0.02) =   0.000%
        T HB2   SER   82 - QB    ALA   88  10.80 +/- 0.40   0.006% *  0.5170% (0.57   0.02   0.02) =   0.000%
        T HA    SER   48 - QB    ALA   88  13.96 +/- 0.86   0.001% *  0.8429% (0.92   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    ALA   88  14.02 +/- 0.28   0.001% *  0.8429% (0.92   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   88  17.71 +/- 0.32   0.000% *  0.9111% (1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    ALA   88  18.20 +/- 0.37   0.000% *  0.4445% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   88  18.19 +/- 0.31   0.000% *  0.4094% (0.45   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   88  20.42 +/- 0.20   0.000% *  0.2818% (0.31   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA   88  22.12 +/- 0.47   0.000% *  0.3115% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA   88  24.20 +/- 0.51   0.000% *  0.2539% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1028 (1.31, 1.31, 16.77 ppm):
    1 diagonal assignment:
    *     QB    ALA   88 - QB    ALA   88  (1.00)  kept
 
    Peak 1029 (3.87, 3.87, 59.74 ppm):
    1 diagonal assignment:
    *     HA    ILE   89 - HA    ILE   89  (1.00)  kept
 
    Peak 1030 (1.74, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 214.8:
    * O T HB    ILE   89 - HA    ILE   89   3.01 +/- 0.01  99.804% * 99.4496% (0.80   5.44 214.84) = 100.000%  kept
        T HB    VAL   43 - HA    ILE   89   9.99 +/- 0.54   0.078% *  0.1017% (0.22   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    ILE   89  10.00 +/- 0.70   0.084% *  0.0800% (0.18   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    ILE   89  11.53 +/- 0.26   0.032% *  0.1269% (0.28   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ILE   89  19.49 +/- 0.46   0.001% *  0.1714% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    ILE   89  19.86 +/- 0.50   0.001% *  0.0705% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1031 (0.63, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 214.8:
    * O T QG2   ILE   89 - HA    ILE   89   2.18 +/- 0.06  99.985% * 99.7838% (1.00   6.28 214.84) = 100.000%  kept
          QG1   VAL   83 - HA    ILE   89   9.71 +/- 0.48   0.015% *  0.1672% (0.53   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ILE   89  16.71 +/- 0.72   0.001% *  0.0490% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 5.74, residual support = 214.8:
    * O T HG12  ILE   89 - HA    ILE   89   3.07 +/- 0.17  99.948% * 98.8728% (1.00   5.74 214.84) = 100.000%  kept
          HG3   LYS+ 111 - HA    ILE   89  12.34 +/- 0.73   0.026% *  0.3416% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   89  12.98 +/- 0.53   0.020% *  0.1545% (0.45   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   89  20.36 +/- 0.73   0.001% *  0.1678% (0.49   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    ILE   89  19.08 +/- 0.27   0.002% *  0.1064% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    ILE   89  20.57 +/- 0.59   0.001% *  0.1294% (0.38   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   89  21.66 +/- 0.53   0.001% *  0.1417% (0.41   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   89  20.59 +/- 0.35   0.001% *  0.0859% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1033 (3.87, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 214.8:
    * O T HA    ILE   89 - HB    ILE   89   3.01 +/- 0.01  99.742% * 97.8394% (0.80   5.44 214.84) = 100.000%  kept
          HB3   SER   82 - HB    ILE   89  10.06 +/- 0.20   0.071% *  0.2471% (0.55   0.02   0.02) =   0.000%
        T HA    ILE   89 - HB    VAL   43   9.99 +/- 0.54   0.078% *  0.0785% (0.17   0.02   0.02) =   0.000%
          HB    THR   39 - HB    VAL   43  12.37 +/- 0.61   0.022% *  0.0758% (0.17   0.02   0.02) =   0.000%
          HB    THR  118 - HB    VAL   43  13.03 +/- 0.36   0.015% *  0.0629% (0.14   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    ILE   89  13.53 +/- 0.35   0.012% *  0.0712% (0.16   0.02   0.02) =   0.000%
          HB    THR  118 - HB    ILE   89  17.12 +/- 0.32   0.003% *  0.2880% (0.64   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    VAL   43  14.65 +/- 0.74   0.008% *  0.0785% (0.17   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    VAL   43  14.12 +/- 0.62   0.010% *  0.0540% (0.12   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    VAL   43  11.70 +/- 0.48   0.030% *  0.0121% (0.03   0.02   0.02) =   0.000%
          HB    THR   39 - HB    ILE   89  20.72 +/- 0.61   0.001% *  0.3471% (0.77   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    ILE   89  22.63 +/- 0.68   0.001% *  0.3597% (0.80   0.02   0.02) =   0.000%
          QB    SER   13 - HB    VAL   43  19.42 +/- 2.09   0.002% *  0.0743% (0.17   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    ILE   89  17.85 +/- 0.54   0.002% *  0.0555% (0.12   0.02   0.02) =   0.000%
          QB    SER   13 - HB    ILE   89  25.73 +/- 2.62   0.000% *  0.3403% (0.76   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    VAL   43  17.41 +/- 0.38   0.003% *  0.0155% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1034 (1.74, 1.74, 34.76 ppm):
    2 diagonal assignments:
    *     HB    ILE   89 - HB    ILE   89  (0.64)  kept
          HB    VAL   43 - HB    VAL   43  (0.04)  kept
 
    Peak 1035 (0.63, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.75, residual support = 214.8:
    * O T QG2   ILE   89 - HB    ILE   89   2.09 +/- 0.01  99.817% * 99.6370% (0.80   5.75 214.84) = 100.000%  kept
          QG1   VAL   83 - HB    ILE   89   7.55 +/- 0.41   0.050% *  0.1824% (0.42   0.02   0.02) =   0.000%
        T QG2   ILE   89 - HB    VAL   43   6.74 +/- 0.53   0.101% *  0.0757% (0.17   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB    VAL   43   8.65 +/- 0.71   0.025% *  0.0398% (0.09   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    VAL   43  10.69 +/- 0.52   0.006% *  0.0117% (0.03   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    ILE   89  16.66 +/- 0.67   0.000% *  0.0535% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 214.8:
    * O T HG12  ILE   89 - HB    ILE   89   2.57 +/- 0.06  99.723% * 98.3997% (0.80   5.17 214.84) = 100.000%  kept
        T HG12  ILE   89 - HB    VAL   43   8.09 +/- 0.52   0.115% *  0.0831% (0.17   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    VAL   43   8.51 +/- 0.36   0.079% *  0.0373% (0.08   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   89  11.19 +/- 0.65   0.016% *  0.1707% (0.36   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    ILE   89  14.68 +/- 0.65   0.003% *  0.3774% (0.79   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    VAL   43  10.76 +/- 0.86   0.021% *  0.0405% (0.09   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    VAL   43  10.64 +/- 0.71   0.022% *  0.0312% (0.07   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    VAL   43  11.90 +/- 0.68   0.011% *  0.0207% (0.04   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    VAL   43  13.40 +/- 0.84   0.006% *  0.0342% (0.07   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   89  18.46 +/- 0.77   0.001% *  0.1853% (0.39   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   43  16.39 +/- 0.43   0.002% *  0.0824% (0.17   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    ILE   89  18.90 +/- 0.83   0.001% *  0.1429% (0.30   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   89  18.44 +/- 0.47   0.001% *  0.0949% (0.20   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   89  21.08 +/- 0.73   0.000% *  0.1565% (0.33   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    ILE   89  20.48 +/- 0.22   0.000% *  0.1175% (0.25   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    VAL   43  19.48 +/- 0.40   0.001% *  0.0257% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1037 (3.87, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 214.8:
    * O T HA    ILE   89 - QG2   ILE   89   2.18 +/- 0.06  99.973% * 98.5096% (1.00   6.28 214.84) = 100.000%  kept
          HB3   SER   82 - QG2   ILE   89  10.20 +/- 0.19   0.010% *  0.2155% (0.69   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   ILE   89   9.67 +/- 0.23   0.013% *  0.0621% (0.20   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   ILE   89  12.63 +/- 0.29   0.003% *  0.2512% (0.80   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   ILE   89  17.11 +/- 0.44   0.000% *  0.3028% (0.97   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   ILE   89  18.92 +/- 0.48   0.000% *  0.3137% (1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   ILE   89  21.10 +/- 2.05   0.000% *  0.2968% (0.95   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   ILE   89  15.33 +/- 0.37   0.001% *  0.0484% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1038 (1.74, 0.63, 17.89 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.75, residual support = 214.8:
    * O T HB    ILE   89 - QG2   ILE   89   2.09 +/- 0.01  99.836% * 99.4791% (0.80   5.75 214.84) = 100.000%  kept
        T HB    VAL   43 - QG2   ILE   89   6.74 +/- 0.53   0.101% *  0.0962% (0.22   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   ILE   89   7.86 +/- 0.47   0.039% *  0.0757% (0.18   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG2   ILE   89   8.49 +/- 0.15   0.022% *  0.1202% (0.28   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - QG2   ILE   89  15.52 +/- 0.35   0.001% *  0.1622% (0.38   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QG2   ILE   89  15.97 +/- 0.46   0.001% *  0.0667% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 6.07, residual support = 214.8:
    * O T HG12  ILE   89 - QG2   ILE   89   3.21 +/- 0.02  99.550% * 98.9343% (1.00   6.07 214.84) =  99.999%  kept
          HG2   LYS+  74 - QG2   ILE   89   8.42 +/- 0.47   0.322% *  0.1461% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QG2   ILE   89  10.45 +/- 0.54   0.087% *  0.3230% (0.99   0.02   0.02) =   0.000%
          HG    LEU   71 - QG2   ILE   89  15.08 +/- 0.64   0.010% *  0.1586% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   71 - QG2   ILE   89  15.43 +/- 0.58   0.008% *  0.1223% (0.38   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QG2   ILE   89  15.05 +/- 0.19   0.009% *  0.1006% (0.31   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG2   ILE   89  15.06 +/- 0.35   0.009% *  0.0813% (0.25   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG2   ILE   89  17.34 +/- 0.58   0.004% *  0.1340% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 5.74, residual support = 214.8:
    * O T HA    ILE   89 - HG12  ILE   89   3.07 +/- 0.17  98.899% * 97.5905% (1.00   5.74 214.84) =  99.998%  kept
        T HB    THR   39 - HG3   LYS+  99   7.47 +/- 1.19   0.821% *  0.1331% (0.39   0.02   0.02) =   0.001%
          HB3   SER   37 - HG3   LYS+  99   9.10 +/- 1.04   0.186% *  0.1380% (0.41   0.02   0.02) =   0.000%
          HB3   SER   82 - HG12  ILE   89  10.77 +/- 0.37   0.058% *  0.2337% (0.69   0.02   0.02) =   0.000%
          HB    THR  118 - HG12  ILE   89  16.21 +/- 0.40   0.005% *  0.2724% (0.80   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   LYS+  99  16.24 +/- 0.48   0.005% *  0.1105% (0.32   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG12  ILE   89  15.23 +/- 0.22   0.007% *  0.0673% (0.20   0.02   0.02) =   0.000%
          HB    THR   39 - HG12  ILE   89  19.86 +/- 0.44   0.001% *  0.3283% (0.97   0.02   0.02) =   0.000%
          HB3   SER   37 - HG12  ILE   89  21.77 +/- 0.49   0.001% *  0.3402% (1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG3   LYS+  99  14.33 +/- 1.25   0.011% *  0.0213% (0.06   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   LYS+  99  19.49 +/- 1.60   0.002% *  0.1305% (0.38   0.02   0.02) =   0.000%
          HA    GLN   30 - HG12  ILE   89  17.66 +/- 0.21   0.003% *  0.0525% (0.15   0.02   0.02) =   0.000%
          QB    SER   13 - HG12  ILE   89  26.05 +/- 2.53   0.000% *  0.3218% (0.95   0.02   0.02) =   0.000%
        T HA    ILE   89 - HG3   LYS+  99  21.66 +/- 0.53   0.001% *  0.1380% (0.41   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   LYS+  99  24.40 +/- 1.01   0.000% *  0.0948% (0.28   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   LYS+  99  29.52 +/- 0.74   0.000% *  0.0273% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 0.657, support = 5.35, residual support = 206.4:
    * O T HB    ILE   89 - HG12  ILE   89   2.57 +/- 0.06  33.125% * 76.3319% (0.80   5.17 214.84) =  79.339%  kept
      O T HB2   LYS+  99 - HG3   LYS+  99   2.49 +/- 0.28  46.945% *  7.4342% (0.06   6.44 173.87) =  10.951%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.89 +/- 0.23  19.877% * 15.5684% (0.15   5.55 173.87) =   9.710%  kept
        T HB    VAL   43 - HG12  ILE   89   8.09 +/- 0.52   0.039% *  0.0821% (0.22   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89  10.27 +/- 0.52   0.009% *  0.0646% (0.18   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  12.62 +/- 0.23   0.002% *  0.1025% (0.28   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  13.40 +/- 0.84   0.002% *  0.0333% (0.09   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  17.42 +/- 0.35   0.000% *  0.1384% (0.38   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  17.77 +/- 0.49   0.000% *  0.0569% (0.15   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  21.08 +/- 0.73   0.000% *  0.1198% (0.32   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  18.98 +/- 0.64   0.000% *  0.0416% (0.11   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  25.83 +/- 0.75   0.000% *  0.0262% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1043 (0.63, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.07, residual support = 214.8:
    * O T QG2   ILE   89 - HG12  ILE   89   3.21 +/- 0.02  55.085% * 99.5534% (1.00   6.07 214.84) =  99.982%  kept
          QD1   LEU  104 - HG3   LYS+  99   3.42 +/- 0.59  44.554% *  0.0205% (0.06   0.02  17.69) =   0.017%
          QG1   VAL   83 - HG12  ILE   89   7.67 +/- 0.55   0.350% *  0.1725% (0.53   0.02   0.02) =   0.001%
        T QG2   ILE   89 - HG3   LYS+  99  17.34 +/- 0.58   0.002% *  0.1330% (0.41   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG12  ILE   89  15.19 +/- 0.71   0.005% *  0.0506% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+  99  16.72 +/- 0.83   0.003% *  0.0700% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 89.7:
    * O T HB2   GLN   90 - HA    GLN   90   2.52 +/- 0.15  99.966% * 97.7347% (0.78   3.96  89.73) = 100.000%  kept
        T HB3   GLU-  79 - HA    GLN   90   9.97 +/- 1.30   0.033% *  0.5829% (0.93   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLN   90  20.90 +/- 1.13   0.000% *  0.5829% (0.93   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   90  21.25 +/- 0.88   0.000% *  0.3737% (0.59   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLN   90  25.12 +/- 0.64   0.000% *  0.6040% (0.96   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   90  28.29 +/- 0.64   0.000% *  0.1219% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.94 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 = 89.7:
    * O T HB3   GLN   90 - HA    GLN   90   2.82 +/- 0.28  98.883% * 95.3059% (0.82   3.96  89.73) =  99.995%  kept
          QB    LYS+  81 - HA    GLN   90   6.48 +/- 0.76   0.834% *  0.5163% (0.88   0.02   0.02) =   0.005%
          HB2   MET   92 - HA    GLN   90   7.83 +/- 0.13   0.251% *  0.2802% (0.48   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    GLN   90  12.81 +/- 0.64   0.013% *  0.5315% (0.90   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   90  13.80 +/- 0.46   0.009% *  0.5446% (0.93   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   90  16.19 +/- 0.83   0.003% *  0.3492% (0.59   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   90  18.29 +/- 1.01   0.002% *  0.3724% (0.63   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   90  18.81 +/- 0.77   0.001% *  0.3724% (0.63   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   90  18.46 +/- 0.67   0.001% *  0.3259% (0.55   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLN   90  21.38 +/- 0.71   0.001% *  0.4400% (0.75   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   90  21.27 +/- 0.56   0.001% *  0.1777% (0.30   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   90  28.93 +/- 0.54   0.000% *  0.4809% (0.82   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   90  28.75 +/- 0.73   0.000% *  0.3029% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1048 (2.27, 4.46, 56.09 ppm):
    9 chemical-shift based assignments, quality = 0.879, support = 3.31, residual support = 89.7:
    * O T QG    GLN   90 - HA    GLN   90   2.74 +/- 0.44  99.880% * 96.3998% (0.88   3.31  89.73) = 100.000%  kept
          HG3   MET   92 - HA    GLN   90   9.08 +/- 0.50   0.105% *  0.1002% (0.15   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   90  12.98 +/- 0.75   0.011% *  0.6435% (0.97   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   90  17.69 +/- 1.22   0.002% *  0.6142% (0.93   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   90  20.81 +/- 0.65   0.001% *  0.3676% (0.55   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   90  23.97 +/- 1.62   0.000% *  0.6478% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   90  24.78 +/- 1.37   0.000% *  0.6364% (0.96   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLN   90  21.69 +/- 1.13   0.001% *  0.1445% (0.22   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLN   90  32.08 +/- 3.24   0.000% *  0.4460% (0.67   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1049 (4.46, 2.15, 31.73 ppm):
    10 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 89.7:
    * O T HA    GLN   90 - HB2   GLN   90   2.52 +/- 0.15  99.957% * 97.4338% (0.78   3.96  89.73) = 100.000%  kept
        T HA    GLN   90 - HB3   GLU-  79   9.97 +/- 1.30   0.033% *  0.3560% (0.57   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  14.06 +/- 0.60   0.004% *  0.4632% (0.74   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  19.79 +/- 0.48   0.000% *  0.4974% (0.79   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLU-  79  16.69 +/- 0.33   0.001% *  0.1768% (0.28   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  18.89 +/- 0.56   0.001% *  0.3352% (0.53   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   90  18.29 +/- 0.35   0.001% *  0.2443% (0.39   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  16.11 +/- 1.18   0.002% *  0.0774% (0.12   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  22.04 +/- 0.85   0.000% *  0.3599% (0.57   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  21.04 +/- 0.48   0.000% *  0.0560% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1050 (2.15, 2.15, 31.73 ppm):
    2 diagonal assignments:
    *     HB2   GLN   90 - HB2   GLN   90  (0.64)  kept
          HB3   GLU-  79 - HB3   GLU-  79  (0.55)  kept
 
    Peak 1051 (1.87, 2.15, 31.73 ppm):
    26 chemical-shift based assignments, quality = 0.669, support = 3.99, residual support = 89.7:
    * O T HB3   GLN   90 - HB2   GLN   90   1.75 +/- 0.00  99.880% * 91.9119% (0.67   3.99  89.73) =  99.999%  kept
          QB    LYS+  81 - HB2   GLN   90   6.27 +/- 1.29   0.073% *  0.4948% (0.72   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   GLU-  79   6.62 +/- 0.37   0.036% *  0.3581% (0.52   0.02   1.50) =   0.000%
          HB2   MET   92 - HB2   GLN   90   8.53 +/- 0.50   0.008% *  0.2686% (0.39   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB3   GLU-  79  11.88 +/- 1.39   0.001% *  0.3335% (0.48   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   GLN   90  13.93 +/- 0.92   0.000% *  0.5093% (0.74   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   GLU-  79  13.18 +/- 0.92   0.001% *  0.2583% (0.37   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   90  15.47 +/- 0.39   0.000% *  0.5220% (0.76   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   GLU-  79  16.66 +/- 0.60   0.000% *  0.3052% (0.44   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   GLU-  79  17.23 +/- 0.69   0.000% *  0.3686% (0.53   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   GLU-  79  16.23 +/- 1.03   0.000% *  0.1944% (0.28   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   GLN   90  17.77 +/- 0.83   0.000% *  0.3347% (0.49   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   GLU-  79  18.56 +/- 0.68   0.000% *  0.3777% (0.55   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   GLU-  79  18.53 +/- 1.44   0.000% *  0.2422% (0.35   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   GLN   90  19.53 +/- 0.97   0.000% *  0.3124% (0.45   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLN   90  20.20 +/- 0.96   0.000% *  0.3569% (0.52   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   90  20.43 +/- 1.03   0.000% *  0.3569% (0.52   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   GLN   90  23.07 +/- 0.61   0.000% *  0.4217% (0.61   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   GLU-  79  22.15 +/- 0.80   0.000% *  0.2583% (0.37   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   GLU-  79  21.83 +/- 0.71   0.000% *  0.2261% (0.33   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   90  23.22 +/- 0.36   0.000% *  0.1703% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB3   GLU-  79  26.78 +/- 0.40   0.000% *  0.3335% (0.48   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB3   GLU-  79  23.48 +/- 0.72   0.000% *  0.1232% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB3   GLU-  79  26.74 +/- 0.32   0.000% *  0.2101% (0.30   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HB2   GLN   90  30.72 +/- 0.52   0.000% *  0.4609% (0.67   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   GLN   90  31.04 +/- 0.46   0.000% *  0.2903% (0.42   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1052 (2.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.718, support = 3.63, residual support = 89.7:
    * O T QG    GLN   90 - HB2   GLN   90   2.30 +/- 0.09  99.929% * 94.0978% (0.72   3.63  89.73) = 100.000%  kept
        T QG    GLN   90 - HB3   GLU-  79   9.70 +/- 2.18   0.038% *  0.3753% (0.52   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLN   90   9.73 +/- 0.80   0.024% *  0.0892% (0.12   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  79  13.36 +/- 0.72   0.003% *  0.4148% (0.57   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLN   90  15.32 +/- 0.46   0.001% *  0.5731% (0.79   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  79  15.37 +/- 0.40   0.001% *  0.3959% (0.55   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB3   GLU-  79  14.68 +/- 0.89   0.002% *  0.0932% (0.13   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLU-  79  18.94 +/- 1.19   0.000% *  0.4102% (0.57   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLN   90  20.04 +/- 1.02   0.000% *  0.5470% (0.76   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLU-  79  19.62 +/- 1.26   0.000% *  0.4175% (0.58   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU-  79  16.89 +/- 1.60   0.001% *  0.0646% (0.09   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLN   90  22.55 +/- 0.86   0.000% *  0.3274% (0.45   0.02   0.02) =   0.000%
        T QB    MET   11 - HB3   GLU-  79  26.14 +/- 4.04   0.000% *  0.2875% (0.40   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   GLN   90  26.00 +/- 1.47   0.000% *  0.5770% (0.80   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   GLN   90  26.78 +/- 1.30   0.000% *  0.5668% (0.78   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  79  24.78 +/- 0.72   0.000% *  0.2369% (0.33   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB2   GLN   90  23.35 +/- 1.12   0.000% *  0.1287% (0.18   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   GLN   90  34.08 +/- 3.41   0.000% *  0.3972% (0.55   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1053 (4.46, 1.87, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 3.96, residual support = 89.7:
    * O T HA    GLN   90 - HB3   GLN   90   2.82 +/- 0.28  99.983% * 98.7017% (0.82   3.96  89.73) = 100.000%  kept
          HA    ALA  110 - HB3   GLN   90  13.77 +/- 0.80   0.009% *  0.4690% (0.77   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   90  17.68 +/- 0.51   0.002% *  0.2473% (0.41   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLN   90  19.96 +/- 0.71   0.001% *  0.5036% (0.83   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLN   90  15.31 +/- 1.08   0.005% *  0.0784% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1054 (2.15, 1.87, 31.73 ppm):
    6 chemical-shift based assignments, quality = 0.669, support = 3.99, residual support = 89.7:
    * O T HB2   GLN   90 - HB3   GLN   90   1.75 +/- 0.00  99.999% * 97.7495% (0.67   3.99  89.73) = 100.000%  kept
        T HB3   GLU-  79 - HB3   GLN   90  11.88 +/- 1.39   0.001% *  0.5790% (0.79   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   GLN   90  22.34 +/- 1.32   0.000% *  0.5790% (0.79   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   GLN   90  22.50 +/- 1.18   0.000% *  0.3713% (0.51   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB3   GLN   90  26.08 +/- 0.87   0.000% *  0.6000% (0.82   0.02   0.02) =   0.000%
        T HB2   LYS+  38 - HB3   GLN   90  29.26 +/- 0.94   0.000% *  0.1211% (0.17   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1055 (1.87, 1.87, 31.73 ppm):
    1 diagonal assignment:
    *     HB3   GLN   90 - HB3   GLN   90  (0.70)  kept
 
    Peak 1056 (2.27, 1.87, 31.73 ppm):
    9 chemical-shift based assignments, quality = 0.749, support = 3.63, residual support = 89.7:
    * O T QG    GLN   90 - HB3   GLN   90   2.48 +/- 0.10  99.968% * 96.7053% (0.75   3.63  89.73) = 100.000%  kept
          HG3   MET   92 - HB3   GLN   90   9.81 +/- 0.67   0.029% *  0.0917% (0.13   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLN   90  15.13 +/- 0.39   0.002% *  0.5889% (0.83   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLN   90  19.84 +/- 0.96   0.000% *  0.5621% (0.79   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLN   90  22.11 +/- 0.96   0.000% *  0.3364% (0.47   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLN   90  25.82 +/- 1.52   0.000% *  0.5928% (0.83   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLN   90  26.79 +/- 1.24   0.000% *  0.5824% (0.82   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLN   90  23.14 +/- 1.40   0.000% *  0.1323% (0.19   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   GLN   90  34.04 +/- 3.26   0.000% *  0.4081% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (4.46, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 3.31, residual support = 89.7:
    * O T HA    GLN   90 - QG    GLN   90   2.74 +/- 0.44  99.919% * 98.4498% (0.88   3.31  89.73) = 100.000%  kept
          HA    ALA  110 - QG    GLN   90  12.16 +/- 1.13   0.038% *  0.5600% (0.83   0.02   0.02) =   0.000%
          HA    VAL  107 - QG    GLN   90  13.33 +/- 1.51   0.036% *  0.0936% (0.14   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   90  14.88 +/- 0.58   0.005% *  0.2953% (0.44   0.02   0.02) =   0.000%
          HA    PHE   55 - QG    GLN   90  17.68 +/- 0.80   0.002% *  0.6013% (0.89   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1058 (2.15, 2.27, 34.07 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.63, residual support = 89.7:
    * O T HB2   GLN   90 - QG    GLN   90   2.30 +/- 0.09  99.961% * 97.5320% (0.72   3.63  89.73) = 100.000%  kept
        T HB3   GLU-  79 - QG    GLN   90   9.70 +/- 2.18   0.038% *  0.6350% (0.85   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QG    GLN   90  18.85 +/- 1.90   0.000% *  0.6350% (0.85   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - QG    GLN   90  19.01 +/- 1.73   0.000% *  0.4071% (0.54   0.02   0.02) =   0.000%
          QB    GLU-  36 - QG    GLN   90  22.35 +/- 0.83   0.000% *  0.6580% (0.88   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG    GLN   90  25.16 +/- 0.85   0.000% *  0.1328% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1059 (1.87, 2.27, 34.07 ppm):
    13 chemical-shift based assignments, quality = 0.749, support = 3.63, residual support = 89.7:
    * O T HB3   GLN   90 - QG    GLN   90   2.48 +/- 0.10  96.188% * 94.8958% (0.75   3.63  89.73) =  99.977%  kept
          QB    LYS+  81 - QG    GLN   90   5.42 +/- 1.90   3.532% *  0.5614% (0.80   0.02   0.02) =   0.022%
        T HB2   MET   92 - QG    GLN   90   7.72 +/- 1.40   0.253% *  0.3047% (0.44   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QG    GLN   90  11.19 +/- 1.02   0.017% *  0.5779% (0.83   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    GLN   90  13.59 +/- 0.78   0.004% *  0.5922% (0.85   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    GLN   90  15.86 +/- 0.91   0.002% *  0.3544% (0.51   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    GLN   90  16.20 +/- 0.73   0.001% *  0.3797% (0.54   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLN   90  16.65 +/- 1.40   0.001% *  0.4050% (0.58   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    GLN   90  16.86 +/- 1.18   0.001% *  0.4050% (0.58   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG    GLN   90  19.29 +/- 1.11   0.000% *  0.4784% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLN   90  20.32 +/- 0.55   0.000% *  0.1932% (0.28   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    GLN   90  25.80 +/- 0.85   0.000% *  0.5229% (0.75   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    GLN   90  26.49 +/- 0.64   0.000% *  0.3294% (0.47   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 12.3:
    * O T QB    ALA   91 - HA    ALA   91   2.15 +/- 0.01  99.982% * 94.9427% (1.00   2.26  12.31) = 100.000%  kept
          QG2   ILE   56 - HA    ALA   91   9.31 +/- 0.33   0.015% *  0.6094% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ALA   91  13.78 +/- 0.95   0.002% *  0.5090% (0.61   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ALA   91  16.28 +/- 0.62   0.001% *  0.1868% (0.22   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ALA   91  20.02 +/- 0.31   0.000% *  0.4415% (0.53   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    ALA   91  22.47 +/- 0.40   0.000% *  0.8392% (1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ALA   91  23.07 +/- 0.56   0.000% *  0.7009% (0.84   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ALA   91  23.60 +/- 0.71   0.000% *  0.4751% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ALA   91  26.68 +/- 0.58   0.000% *  0.5429% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA   91  31.76 +/- 0.57   0.000% *  0.7526% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 12.3:
    * O T HA    ALA   91 - QB    ALA   91   2.15 +/- 0.01  99.867% * 96.2937% (1.00   2.26  12.31) = 100.000%  kept
          HA    ALA  110 - QB    ALA   91   8.66 +/- 0.85   0.046% *  0.1684% (0.20   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   91  11.02 +/- 1.07   0.008% *  0.8214% (0.97   0.02   0.02) =   0.000%
          HA    PRO   52 - QB    ALA   91   9.57 +/- 0.92   0.017% *  0.2627% (0.31   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   23   7.63 +/- 0.43   0.054% *  0.0826% (0.10   0.02   1.64) =   0.000%
          HA    TRP   27 - QG2   THR   39  11.30 +/- 0.67   0.005% *  0.3710% (0.44   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    ALA   91  16.93 +/- 0.34   0.000% *  0.7857% (0.92   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   39  16.44 +/- 0.24   0.000% *  0.3879% (0.46   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   23  16.28 +/- 0.62   0.001% *  0.0895% (0.11   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   39  22.47 +/- 0.40   0.000% *  0.4019% (0.47   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   39  19.00 +/- 0.38   0.000% *  0.0795% (0.09   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   23  21.28 +/- 0.48   0.000% *  0.0864% (0.10   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   39  23.06 +/- 0.38   0.000% *  0.1240% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   23  20.79 +/- 0.44   0.000% *  0.0276% (0.03   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   23  20.29 +/- 0.40   0.000% *  0.0177% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 126.7:
    * O T HA    PRO   93 - HD2   PRO   93   3.98 +/- 0.00 100.000% *100.0000% (0.73   5.31 126.70) = 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 = 0.681, support = 4.98, residual support = 115.6:
    * O T HB2   PRO   93 - HD2   PRO   93   4.04 +/- 0.00  29.989% * 94.3264% (0.73   5.40 126.70) =  90.954%  kept
          HG3   PRO   52 - HD2   PRO   93   3.51 +/- 0.08  69.521% *  4.0449% (0.22   0.75   4.02) =   9.042%  kept
          HB    VAL  108 - HD2   PRO   93   8.66 +/- 0.32   0.319% *  0.2798% (0.58   0.02   0.02) =   0.003%
          HB2   ARG+  54 - HD2   PRO   93  10.46 +/- 0.43   0.105% *  0.3031% (0.63   0.02   0.02) =   0.001%
          HG2   PRO   58 - HD2   PRO   93  11.66 +/- 0.33   0.052% *  0.1079% (0.22   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   PRO   93  15.27 +/- 0.47   0.010% *  0.1979% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   PRO   93  21.58 +/- 0.35   0.001% *  0.1979% (0.41   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   PRO   93  21.78 +/- 0.70   0.001% *  0.0972% (0.20   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   PRO   93  27.53 +/- 0.16   0.000% *  0.1701% (0.35   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   93  28.72 +/- 1.14   0.000% *  0.1312% (0.27   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   93  36.05 +/- 3.48   0.000% *  0.1437% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.63 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 = 126.7:
    * O T HG2   PRO   93 - HD2   PRO   93   2.30 +/- 0.00  98.260% * 97.2556% (0.73   4.00 126.70) =  99.997%  kept
          HB3   PRO   52 - HD2   PRO   93   4.51 +/- 0.09   1.738% *  0.1501% (0.22   0.02   4.02) =   0.003%
          QB    LYS+  66 - HD2   PRO   93  16.92 +/- 0.37   0.001% *  0.4361% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  65 - HD2   PRO   93  17.14 +/- 0.31   0.001% *  0.4062% (0.61   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   93  17.91 +/- 0.35   0.000% *  0.2753% (0.41   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   93  19.22 +/- 0.53   0.000% *  0.3531% (0.53   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   93  21.16 +/- 0.46   0.000% *  0.4489% (0.67   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   PRO   93  21.56 +/- 0.64   0.000% *  0.3894% (0.58   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   PRO   93  20.50 +/- 0.54   0.000% *  0.1501% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   PRO   93  22.38 +/- 0.53   0.000% *  0.1352% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 126.7:
    * O T HD3   PRO   93 - HD2   PRO   93   1.75 +/- 0.00  99.908% * 97.7197% (0.65   4.00 126.70) = 100.000%  kept
          HB3   CYS   53 - HD2   PRO   93   6.18 +/- 0.45   0.058% *  0.5400% (0.72   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   93   6.80 +/- 0.31   0.031% *  0.4362% (0.58   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   93  10.32 +/- 0.75   0.003% *  0.2866% (0.38   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   93  12.29 +/- 0.40   0.001% *  0.5448% (0.73   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD2   PRO   93  22.54 +/- 0.50   0.000% *  0.4726% (0.63   0.02   0.02) =   0.000%
    Distance limit 2.92 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 = 126.7:
    * O T HA    PRO   93 - HD3   PRO   93   3.79 +/- 0.00  99.996% * 99.9331% (0.90   5.31 126.70) = 100.000%  kept
        T HA    PRO   93 - HD3   PRO   68  20.50 +/- 0.28   0.004% *  0.0669% (0.16   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 0.434, support = 2.49, residual support = 35.1:
          HG3   PRO   52 - HD3   PRO   93   1.96 +/- 0.05  97.156% *  7.7477% (0.28   1.50   4.02) =  74.681%  kept
    * O T HB2   PRO   93 - HD3   PRO   93   3.53 +/- 0.00   2.825% * 90.3370% (0.90   5.40 126.70) =  25.319%  kept
        T HB2   ARG+  54 - HD3   PRO   93   9.49 +/- 0.56   0.009% *  0.2903% (0.78   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   PRO   93  10.34 +/- 0.31   0.005% *  0.2680% (0.72   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   93  11.68 +/- 0.29   0.002% *  0.1033% (0.28   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   93  16.31 +/- 0.41   0.000% *  0.1895% (0.51   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   68  14.03 +/- 0.55   0.001% *  0.0337% (0.09   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   68  14.88 +/- 1.15   0.001% *  0.0224% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   93  21.43 +/- 0.34   0.000% *  0.1895% (0.51   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   68  17.36 +/- 0.95   0.000% *  0.0337% (0.09   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HD3   PRO   68  19.54 +/- 0.42   0.000% *  0.0596% (0.16   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   93  21.45 +/- 0.71   0.000% *  0.0931% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   68  16.30 +/- 0.46   0.000% *  0.0184% (0.05   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   68  17.72 +/- 0.65   0.000% *  0.0166% (0.04   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   68  19.80 +/- 2.42   0.000% *  0.0245% (0.07   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   68  19.84 +/- 0.56   0.000% *  0.0290% (0.08   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HD3   PRO   68  22.53 +/- 0.50   0.000% *  0.0517% (0.14   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   93  28.32 +/- 0.13   0.000% *  0.1629% (0.44   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   PRO   68  23.38 +/- 0.42   0.000% *  0.0477% (0.13   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   93  28.27 +/- 1.15   0.000% *  0.1256% (0.34   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   93  35.62 +/- 3.67   0.000% *  0.1376% (0.37   0.02   0.02) =   0.000%
          HG3   PRO   52 - HD3   PRO   68  23.71 +/- 0.51   0.000% *  0.0184% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1072 (1.81, 3.34, 50.24 ppm):
    20 chemical-shift based assignments, quality = 0.897, support = 4.0, residual support = 126.7:
    * O T HG2   PRO   93 - HD3   PRO   93   2.91 +/- 0.00  79.103% * 96.6997% (0.90   4.00 126.70) =  99.967%  kept
        T HB3   PRO   52 - HD3   PRO   93   3.92 +/- 0.05  13.193% *  0.1492% (0.28   0.02   4.02) =   0.026%
          QB    LYS+  66 - HD3   PRO   68   4.50 +/- 0.25   6.046% *  0.0772% (0.14   0.02   0.02) =   0.006%
          QB    LYS+  65 - HD3   PRO   68   5.64 +/- 0.34   1.567% *  0.0719% (0.13   0.02   0.02) =   0.001%
          HB2   LEU   71 - HD3   PRO   68  11.40 +/- 0.46   0.023% *  0.0689% (0.13   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   68  10.59 +/- 0.56   0.036% *  0.0239% (0.04   0.02   0.02) =   0.000%
          QB    LYS+  65 - HD3   PRO   93  17.09 +/- 0.28   0.002% *  0.4039% (0.75   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   PRO   93  17.31 +/- 0.33   0.002% *  0.4336% (0.80   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   68  12.50 +/- 1.19   0.016% *  0.0266% (0.05   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   93  18.86 +/- 0.33   0.001% *  0.2737% (0.51   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   93  19.69 +/- 0.44   0.001% *  0.3511% (0.65   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   68  14.88 +/- 0.48   0.005% *  0.0625% (0.12   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   93  21.60 +/- 0.65   0.000% *  0.3872% (0.72   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   93  22.09 +/- 0.42   0.000% *  0.4463% (0.83   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   68  18.57 +/- 0.52   0.001% *  0.0794% (0.15   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   93  21.44 +/- 0.50   0.000% *  0.1492% (0.28   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   93  21.87 +/- 0.55   0.000% *  0.1344% (0.25   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD3   PRO   68  20.47 +/- 0.66   0.001% *  0.0860% (0.16   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   68  20.06 +/- 0.71   0.001% *  0.0487% (0.09   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HD3   PRO   68  24.64 +/- 0.53   0.000% *  0.0266% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 126.7:
    * O T HD2   PRO   93 - HD3   PRO   93   1.75 +/- 0.00  99.997% * 98.6141% (0.65   4.00 126.70) = 100.000%  kept
          HA    THR   77 - HD3   PRO   93  10.26 +/- 0.65   0.003% *  0.6090% (0.80   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   93  19.74 +/- 0.52   0.000% *  0.4931% (0.65   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   68  22.45 +/- 0.32   0.000% *  0.0878% (0.12   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HD3   PRO   68  22.54 +/- 0.50   0.000% *  0.0878% (0.12   0.02   0.02) =   0.000%
          HA    THR   77 - HD3   PRO   68  24.80 +/- 0.33   0.000% *  0.1084% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 126.7:
    * O T HB2   PRO   93 - HA    PRO   93   2.30 +/- 0.00  99.275% * 98.3650% (1.00   5.98 126.70) =  99.999%  kept
          HG3   PRO   52 - HA    PRO   93   5.27 +/- 0.13   0.697% *  0.1016% (0.31   0.02   4.02) =   0.001%
          HB    VAL  108 - HA    PRO   93   9.91 +/- 0.31   0.016% *  0.2635% (0.80   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    PRO   93  11.69 +/- 0.70   0.007% *  0.2854% (0.87   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    PRO   93  12.35 +/- 0.31   0.004% *  0.1016% (0.31   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    PRO   93  15.74 +/- 0.40   0.001% *  0.1863% (0.57   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    PRO   93  17.77 +/- 0.30   0.000% *  0.1863% (0.57   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    PRO   93  17.90 +/- 0.68   0.000% *  0.0915% (0.28   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    PRO   93  24.87 +/- 0.13   0.000% *  0.1602% (0.49   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   93  25.28 +/- 1.16   0.000% *  0.1235% (0.38   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   93  32.86 +/- 3.58   0.000% *  0.1353% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1077 (1.81, 5.07, 63.17 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 126.7:
    * O T HG2   PRO   93 - HA    PRO   93   3.97 +/- 0.00  97.860% * 97.9201% (1.00   5.31 126.70) =  99.997%  kept
          HB3   PRO   52 - HA    PRO   93   7.60 +/- 0.11   2.008% *  0.1138% (0.31   0.02   4.02) =   0.002%
          QB    LYS+  66 - HA    PRO   93  15.70 +/- 0.34   0.026% *  0.3305% (0.90   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    PRO   93  15.68 +/- 0.28   0.026% *  0.3078% (0.84   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   93  16.07 +/- 0.43   0.023% *  0.2676% (0.73   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   93  15.67 +/- 0.33   0.026% *  0.2087% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    PRO   93  18.12 +/- 0.70   0.011% *  0.2951% (0.80   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   93  19.31 +/- 0.36   0.007% *  0.3402% (0.92   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    PRO   93  19.39 +/- 0.46   0.007% *  0.1025% (0.28   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   93  20.58 +/- 0.47   0.005% *  0.1138% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.10 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 = 126.7:
    * O T HD2   PRO   93 - HA    PRO   93   3.98 +/- 0.00  98.427% * 99.1658% (0.73   5.31 126.70) =  99.993%  kept
          HA    THR   77 - HA    PRO   93   8.05 +/- 0.53   1.551% *  0.4610% (0.90   0.02   0.02) =   0.007%
          HB2   TRP   27 - HA    PRO   93  16.24 +/- 0.44   0.021% *  0.3732% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1079 (3.34, 5.07, 63.17 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 5.31, residual support = 126.6:
    * O T HD3   PRO   93 - HA    PRO   93   3.79 +/- 0.00  86.364% * 98.2738% (0.90   5.31 126.70) =  99.935%  kept
          HB3   CYS   53 - HA    PRO   93   5.38 +/- 0.53  12.808% *  0.4088% (0.99   0.02   0.02) =   0.062%
          QB    PHE   55 - HA    PRO   93   8.81 +/- 0.33   0.550% *  0.3302% (0.80   0.02   0.02) =   0.002%
          HB2   PHE   59 - HA    PRO   93  10.47 +/- 0.85   0.226% *  0.2170% (0.53   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HA    PRO   93  13.18 +/- 0.43   0.049% *  0.4124% (1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HA    PRO   93  20.50 +/- 0.28   0.003% *  0.3578% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 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 = 126.7:
    * O T HG2   PRO   93 - HB2   PRO   93   2.96 +/- 0.00  98.271% * 97.7682% (1.00   5.40 126.70) =  99.999%  kept
        T HB3   PRO   52 - HB2   PRO   93   6.63 +/- 0.26   0.800% *  0.1118% (0.31   0.02   4.02) =   0.001%
          HB2   LEU   71 - HG3   GLN   30   7.11 +/- 0.95   0.722% *  0.0226% (0.06   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   GLN   30   9.79 +/- 1.39   0.147% *  0.0205% (0.06   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   PRO   93  14.32 +/- 0.24   0.008% *  0.3026% (0.84   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   93  14.67 +/- 0.30   0.007% *  0.3249% (0.90   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   93  16.90 +/- 0.33   0.003% *  0.2630% (0.73   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   93  17.11 +/- 0.39   0.003% *  0.2051% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   PRO   93  18.27 +/- 0.63   0.002% *  0.2900% (0.80   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   93  20.36 +/- 0.33   0.001% *  0.3344% (0.92   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB2   PRO   93  18.48 +/- 0.55   0.002% *  0.1007% (0.28   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HG3   GLN   30  12.42 +/- 0.94   0.020% *  0.0078% (0.02   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   93  19.49 +/- 0.48   0.001% *  0.1118% (0.31   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   GLN   30  16.80 +/- 0.68   0.003% *  0.0261% (0.07   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   GLN   30  16.72 +/- 0.71   0.003% *  0.0236% (0.07   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   GLN   30  15.83 +/- 1.02   0.005% *  0.0160% (0.04   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   GLN   30  17.41 +/- 0.60   0.002% *  0.0253% (0.07   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG3   GLN   30  20.99 +/- 0.74   0.001% *  0.0282% (0.08   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   GLN   30  24.93 +/- 0.69   0.000% *  0.0087% (0.02   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   GLN   30  26.60 +/- 0.90   0.000% *  0.0087% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 126.7:
    * O T HD2   PRO   93 - HB2   PRO   93   4.04 +/- 0.00  93.163% * 99.0869% (0.73   5.40 126.70) =  99.995%  kept
          HA    THR   77 - HB2   PRO   93   9.68 +/- 0.57   0.523% *  0.4534% (0.90   0.02   0.02) =   0.003%
          HB2   TRP   27 - HG3   GLN   30   6.54 +/- 0.60   6.266% *  0.0286% (0.06   0.02   0.02) =   0.002%
          HB2   TRP   27 - HB2   PRO   93  17.52 +/- 0.53   0.014% *  0.3671% (0.73   0.02   0.02) =   0.000%
          HA    THR   77 - HG3   GLN   30  15.44 +/- 0.64   0.031% *  0.0353% (0.07   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HG3   GLN   30  21.78 +/- 0.70   0.004% *  0.0286% (0.06   0.02   0.02) =   0.000%
    Distance limit 5.25 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 = 0.894, support = 5.38, residual support = 126.3:
    * O T HD3   PRO   93 - HB2   PRO   93   3.53 +/- 0.00  54.756% * 98.1425% (0.90   5.40 126.70) =  99.665%  kept
          HB3   CYS   53 - HB2   PRO   93   3.69 +/- 0.36  44.064% *  0.4019% (0.99   0.02   0.02) =   0.328%
          QB    PHE   55 - HB2   PRO   93   7.12 +/- 0.39   0.827% *  0.3247% (0.80   0.02   0.02) =   0.005%
          HB2   PHE   59 - HB2   PRO   93   8.80 +/- 0.85   0.285% *  0.2133% (0.53   0.02   0.02) =   0.001%
        T HD2   ARG+  54 - HB2   PRO   93  11.12 +/- 0.45   0.057% *  0.4054% (1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   PRO   93  19.54 +/- 0.42   0.002% *  0.3517% (0.87   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG3   GLN   30  17.72 +/- 0.65   0.004% *  0.0274% (0.07   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   GLN   30  19.56 +/- 0.78   0.002% *  0.0313% (0.08   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG3   GLN   30  21.45 +/- 0.71   0.001% *  0.0283% (0.07   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   GLN   30  22.64 +/- 0.72   0.001% *  0.0253% (0.06   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   GLN   30  21.48 +/- 0.98   0.001% *  0.0166% (0.04   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   GLN   30  25.78 +/- 1.20   0.000% *  0.0316% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.67 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 = 126.7:
    * O T HA    PRO   93 - HG2   PRO   93   3.97 +/- 0.00 100.000% *100.0000% (1.00   5.31 126.70) = 100.000%  kept
    Distance limit 5.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1086 (2.06, 1.81, 24.81 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 126.7:
    * O T HB2   PRO   93 - HG2   PRO   93   2.96 +/- 0.00  89.745% * 98.1923% (1.00   5.40 126.70) =  99.987%  kept
        T HG3   PRO   52 - HG2   PRO   93   4.31 +/- 0.24   9.970% *  0.1123% (0.31   0.02   4.02) =   0.013%
          HB    VAL  108 - HG2   PRO   93   9.18 +/- 0.36   0.103% *  0.2913% (0.80   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   PRO   93   9.41 +/- 0.36   0.089% *  0.3156% (0.87   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG2   PRO   93   9.57 +/- 0.30   0.080% *  0.1123% (0.31   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   PRO   93  13.44 +/- 0.42   0.010% *  0.2060% (0.57   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   PRO   93  20.81 +/- 0.41   0.001% *  0.2060% (0.57   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   PRO   93  20.99 +/- 0.74   0.001% *  0.1011% (0.28   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   PRO   93  26.75 +/- 0.24   0.000% *  0.1771% (0.49   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   93  27.20 +/- 1.22   0.000% *  0.1365% (0.38   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   93  34.43 +/- 3.25   0.000% *  0.1496% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 126.7:
    * O T HD2   PRO   93 - HG2   PRO   93   2.30 +/- 0.00  99.994% * 98.8948% (0.73   4.00 126.70) = 100.000%  kept
          HA    THR   77 - HG2   PRO   93  11.82 +/- 0.55   0.006% *  0.6107% (0.90   0.02   0.02) =   0.000%
          HB2   TRP   27 - HG2   PRO   93  19.94 +/- 0.47   0.000% *  0.4945% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 126.7:
    * O T HD3   PRO   93 - HG2   PRO   93   2.91 +/- 0.00  95.312% * 97.7197% (0.90   4.00 126.70) =  99.976%  kept
          HB3   CYS   53 - HG2   PRO   93   5.41 +/- 0.36   2.520% *  0.5400% (0.99   0.02   0.02) =   0.015%
          QB    PHE   55 - HG2   PRO   93   5.62 +/- 0.21   1.890% *  0.4362% (0.80   0.02   0.02) =   0.009%
          HB2   PHE   59 - HG2   PRO   93   8.11 +/- 0.78   0.248% *  0.2866% (0.53   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HG2   PRO   93  11.25 +/- 0.44   0.029% *  0.5448% (1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   PRO   93  20.47 +/- 0.66   0.001% *  0.4726% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 25.2:
    * O T HB    THR   94 - HA    THR   94   3.04 +/- 0.03  99.852% * 94.0553% (0.84   2.43  25.22) =  99.999%  kept
          QB    SER   48 - HA    THR   94  13.00 +/- 0.54   0.017% *  0.8550% (0.92   0.02   0.02) =   0.000%
          QB    SER  117 - HA    THR   94  11.40 +/- 0.29   0.036% *  0.3808% (0.41   0.02   0.02) =   0.000%
          QB    SER   85 - HA    THR   94  13.35 +/- 0.46   0.014% *  0.7737% (0.84   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    THR   94  10.48 +/- 0.08   0.060% *  0.1833% (0.20   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    THR   94  14.09 +/- 0.07   0.010% *  0.6363% (0.69   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    THR   94  17.11 +/- 0.42   0.003% *  0.9263% (1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    THR   94  16.48 +/- 0.40   0.004% *  0.7079% (0.76   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    THR   94  18.03 +/- 0.31   0.002% *  0.7079% (0.76   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    THR   94  21.94 +/- 0.54   0.001% *  0.7737% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1092 (1.19, 4.95, 63.38 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.95, residual support = 25.2:
    * O T QG2   THR   94 - HA    THR   94   2.54 +/- 0.12  99.969% * 98.1172% (1.00   2.95  25.22) = 100.000%  kept
          HB3   LYS+ 112 - HA    THR   94  12.16 +/- 0.34   0.009% *  0.6631% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    THR   94  12.97 +/- 0.36   0.006% *  0.5321% (0.80   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    THR   94  11.05 +/- 0.28   0.015% *  0.2051% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    THR   94  17.98 +/- 0.47   0.001% *  0.4826% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 25.2:
    * O T HA    THR   94 - HB    THR   94   3.04 +/- 0.03  99.916% * 99.7953% (0.84   2.43  25.22) = 100.000%  kept
          HA    LYS+  74 - HB    THR   94   9.94 +/- 0.37   0.084% *  0.2047% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 2.41, residual support = 25.2:
    * O T QG2   THR   94 - HB    THR   94   2.16 +/- 0.01  99.991% * 97.7066% (0.84   2.41  25.22) = 100.000%  kept
          HG13  ILE  103 - HB    THR   94  10.79 +/- 0.38   0.007% *  0.2498% (0.26   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB    THR   94  15.05 +/- 0.33   0.001% *  0.8076% (0.83   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    THR   94  15.71 +/- 0.35   0.001% *  0.6481% (0.67   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    THR   94  17.78 +/- 0.60   0.000% *  0.5878% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1096 (4.95, 1.19, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.95, residual support = 25.2:
    * O T HA    THR   94 - QG2   THR   94   2.54 +/- 0.12  99.950% * 99.8314% (1.00   2.95  25.22) = 100.000%  kept
          HA    LYS+  74 - QG2   THR   94   9.27 +/- 0.46   0.050% *  0.1686% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 2.41, residual support = 25.2:
    * O T HB    THR   94 - QG2   THR   94   2.16 +/- 0.01  99.960% * 94.0154% (0.84   2.41  25.22) = 100.000%  kept
          QB    SER   85 - QG2   THR   94   9.41 +/- 0.39   0.015% *  0.7789% (0.84   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   THR   94  11.29 +/- 0.41   0.005% *  0.8608% (0.92   0.02   0.02) =   0.000%
          QB    SER  117 - QG2   THR   94  10.37 +/- 0.41   0.008% *  0.3833% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   THR   94  10.62 +/- 0.11   0.007% *  0.1845% (0.20   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   THR   94  13.76 +/- 0.12   0.002% *  0.6405% (0.69   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QG2   THR   94  14.35 +/- 0.39   0.001% *  0.7126% (0.76   0.02   0.02) =   0.000%
          HA    ALA  120 - QG2   THR   94  15.52 +/- 0.39   0.001% *  0.9325% (1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QG2   THR   94  16.18 +/- 0.27   0.001% *  0.7126% (0.76   0.02   0.02) =   0.000%
          HA2   GLY   16 - QG2   THR   94  18.91 +/- 0.50   0.000% *  0.7789% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.23 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   3.08 +/- 0.00 100.000% *100.0000% (1.00   3.44  73.37) = 100.000%  kept
    Distance limit 4.15 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 +/- 0.04  99.995% * 99.3383% (1.00   4.00  73.37) = 100.000%  kept
          HG2   GLN  116 - HA    PHE   95  13.33 +/- 0.37   0.005% *  0.4923% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    PHE   95  21.45 +/- 0.44   0.000% *  0.1694% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.68 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   3.08 +/- 0.00 100.000% *100.0000% (1.00   3.44  73.37) = 100.000%  kept
    Distance limit 4.25 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  99.998% * 99.2020% (1.00   3.31  73.37) = 100.000%  kept
          HG2   GLN  116 - HB2   PHE   95  10.94 +/- 0.35   0.002% *  0.5937% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   PHE   95  24.26 +/- 0.46   0.000% *  0.2043% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.96 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 +/- 0.04 100.000% *100.0000% (1.00   4.00  73.37) = 100.000%  kept
    Distance limit 3.86 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   3.31  73.37) = 100.000%  kept
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1107 (2.54, 2.54, 40.96 ppm):
    1 diagonal assignment:
    *     HB3   PHE   95 - HB3   PHE   95  (1.00)  kept
 
    Peak 1108 (5.31, 5.31, 54.03 ppm):
    1 diagonal assignment:
    *     HA    MET   96 - HA    MET   96  (0.96)  kept
 
    Peak 1109 (2.21, 5.31, 54.03 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.5:
    * O T HB2   MET   96 - HA    MET   96   2.98 +/- 0.19  98.892% * 98.5022% (0.98   5.00 115.54) =  99.998%  kept
          HB2   ASP- 105 - HA    MET   96   6.50 +/- 0.35   1.065% *  0.1620% (0.40   0.02   0.02) =   0.002%
          HB    VAL   70 - HA    MET   96  11.78 +/- 0.20   0.027% *  0.3011% (0.75   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   96  15.00 +/- 0.37   0.006% *  0.2861% (0.71   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    MET   96  15.85 +/- 0.41   0.005% *  0.2549% (0.63   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    MET   96  17.09 +/- 0.54   0.003% *  0.2706% (0.67   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    MET   96  20.42 +/- 0.52   0.001% *  0.2231% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1110 (1.93, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.5:
    * O T HB3   MET   96 - HA    MET   96   2.69 +/- 0.14  99.979% * 98.9690% (0.98   5.00 115.54) = 100.000%  kept
          HB2   LEU   40 - HA    MET   96  11.26 +/- 0.39   0.020% *  0.3170% (0.78   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   96  22.79 +/- 1.20   0.000% *  0.3434% (0.85   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    MET   96  19.59 +/- 0.24   0.001% *  0.0987% (0.24   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   96  30.42 +/- 2.45   0.000% *  0.2719% (0.67   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1111 (2.61, 5.31, 54.03 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.5:
    * O T HG2   MET   96 - HA    MET   96   3.24 +/- 0.44  99.988% * 99.8313% (0.98   4.44 115.54) = 100.000%  kept
        T HB2   PRO   52 - HA    MET   96  15.11 +/- 0.14   0.012% *  0.1687% (0.37   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1112 (2.47, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.595, support = 4.44, residual support = 115.5:
    * O T HG3   MET   96 - HA    MET   96   2.47 +/- 0.38  99.907% * 98.8561% (0.59   4.44 115.54) = 100.000%  kept
          HB3   TRP   87 - HA    MET   96   8.78 +/- 0.42   0.088% *  0.1634% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    MET   96  14.98 +/- 0.43   0.003% *  0.1634% (0.22   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    MET   96  19.72 +/- 0.80   0.001% *  0.6130% (0.82   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    MET   96  16.55 +/- 0.30   0.002% *  0.2041% (0.27   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1113 (5.31, 2.21, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.5:
    * O T HA    MET   96 - HB2   MET   96   2.98 +/- 0.19  99.728% * 99.9092% (0.98   5.00 115.54) = 100.000%  kept
          HA    PHE   72 - HB2   MET   96   8.23 +/- 0.55   0.272% *  0.0908% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1114 (2.21, 2.21, 36.87 ppm):
    1 diagonal assignment:
    *     HB2   MET   96 - HB2   MET   96  (1.00)  kept
 
    Peak 1115 (1.93, 2.21, 36.87 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 115.5:
    * O T HB3   MET   96 - HB2   MET   96   1.75 +/- 0.00  99.998% * 98.9690% (1.00   5.00 115.54) = 100.000%  kept
          HB2   LEU   40 - HB2   MET   96  11.29 +/- 0.55   0.001% *  0.3170% (0.80   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   MET   96  20.99 +/- 1.37   0.000% *  0.3434% (0.87   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB2   MET   96  19.83 +/- 0.34   0.000% *  0.0987% (0.25   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   MET   96  28.81 +/- 2.74   0.000% *  0.2719% (0.69   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1116 (2.61, 2.21, 36.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.5:
    * O T HG2   MET   96 - HB2   MET   96   2.43 +/- 0.28  99.998% * 99.8313% (1.00   4.44 115.54) = 100.000%  kept
        T HB2   PRO   52 - HB2   MET   96  15.67 +/- 0.31   0.002% *  0.1687% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1117 (2.47, 2.21, 36.87 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.5:
    * O T HG3   MET   96 - HB2   MET   96   2.82 +/- 0.20  99.578% * 98.8561% (0.61   4.44 115.54) =  99.999%  kept
          HB3   TRP   87 - HB2   MET   96   7.16 +/- 0.38   0.416% *  0.1634% (0.22   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HB2   MET   96  18.01 +/- 1.06   0.002% *  0.6130% (0.84   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   MET   96  15.87 +/- 0.48   0.003% *  0.1634% (0.22   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   MET   96  18.79 +/- 0.29   0.001% *  0.2041% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1118 (5.31, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.5:
    * O T HA    MET   96 - HB3   MET   96   2.69 +/- 0.14  99.919% * 99.9092% (0.98   5.00 115.54) = 100.000%  kept
          HA    PHE   72 - HB3   MET   96   9.26 +/- 0.53   0.081% *  0.0908% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1119 (2.21, 1.93, 36.87 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 115.5:
    * O T HB2   MET   96 - HB3   MET   96   1.75 +/- 0.00  99.993% * 98.5022% (1.00   5.00 115.54) = 100.000%  kept
          HB2   ASP- 105 - HB3   MET   96   9.14 +/- 0.34   0.005% *  0.1620% (0.41   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   MET   96  12.56 +/- 0.56   0.001% *  0.3011% (0.76   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   96  13.57 +/- 0.45   0.000% *  0.2549% (0.65   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   96  15.97 +/- 0.54   0.000% *  0.2861% (0.73   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   MET   96  16.61 +/- 0.79   0.000% *  0.2706% (0.69   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   MET   96  18.17 +/- 0.64   0.000% *  0.2231% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1120 (1.93, 1.93, 36.87 ppm):
    1 diagonal assignment:
    *     HB3   MET   96 - HB3   MET   96  (1.00)  kept
 
    Peak 1121 (2.61, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.5:
    * O T HG2   MET   96 - HB3   MET   96   2.84 +/- 0.18  99.994% * 99.8313% (1.00   4.44 115.54) = 100.000%  kept
        T HB2   PRO   52 - HB3   MET   96  14.63 +/- 0.29   0.006% *  0.1687% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (2.47, 1.93, 36.87 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.5:
    * O T HG3   MET   96 - HB3   MET   96   2.87 +/- 0.12  99.140% * 98.8561% (0.61   4.44 115.54) =  99.999%  kept
          HB3   TRP   87 - HB3   MET   96   6.50 +/- 0.41   0.854% *  0.1634% (0.22   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HB3   MET   96  19.40 +/- 0.80   0.001% *  0.6130% (0.84   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   MET   96  15.95 +/- 0.44   0.004% *  0.1634% (0.22   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   MET   96  18.14 +/- 0.37   0.002% *  0.2041% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1123 (5.31, 2.61, 32.67 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.5:
    * O T HA    MET   96 - HG2   MET   96   3.24 +/- 0.44  99.824% * 99.7361% (0.98   4.44 115.54) = 100.000%  kept
          HA    PHE   72 - HG2   MET   96   9.98 +/- 0.45   0.161% *  0.1020% (0.22   0.02   0.02) =   0.000%
        T HA    MET   96 - HB2   PRO   52  15.11 +/- 0.14   0.012% *  0.1319% (0.29   0.02   0.02) =   0.000%
          HA    PHE   72 - HB2   PRO   52  18.13 +/- 0.21   0.004% *  0.0300% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1124 (2.21, 2.61, 32.67 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.5:
    * O T HB2   MET   96 - HG2   MET   96   2.43 +/- 0.28  99.900% * 97.7069% (1.00   4.44 115.54) = 100.000%  kept
          HB2   ASP- 105 - HG2   MET   96   8.95 +/- 0.64   0.080% *  0.1809% (0.41   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   MET   96  12.71 +/- 0.37   0.006% *  0.3362% (0.76   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   MET   96  13.88 +/- 0.55   0.004% *  0.3195% (0.73   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   MET   96  15.62 +/- 0.50   0.002% *  0.2846% (0.65   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   PRO   52  13.73 +/- 0.51   0.004% *  0.0836% (0.19   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   MET   96  17.58 +/- 0.89   0.001% *  0.3022% (0.69   0.02   0.02) =   0.000%
        T HB2   MET   96 - HB2   PRO   52  15.67 +/- 0.31   0.002% *  0.1292% (0.29   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   MET   96  18.15 +/- 0.73   0.001% *  0.2491% (0.57   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   PRO   52  17.56 +/- 0.39   0.001% *  0.0531% (0.12   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   PRO   52  20.02 +/- 0.45   0.000% *  0.0888% (0.20   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   PRO   52  21.06 +/- 0.51   0.000% *  0.0988% (0.22   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   PRO   52  26.90 +/- 0.60   0.000% *  0.0732% (0.17   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   PRO   52  29.53 +/- 0.49   0.000% *  0.0939% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1125 (1.93, 2.61, 32.67 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.5:
    * O T HB3   MET   96 - HG2   MET   96   2.84 +/- 0.18  99.044% * 98.3772% (1.00   4.44 115.54) = 100.000%  kept
          HB3   ARG+  54 - HB2   PRO   52   6.39 +/- 0.64   0.925% *  0.0324% (0.07   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   96  11.59 +/- 0.59   0.025% *  0.3547% (0.80   0.02   0.02) =   0.000%
        T HB3   MET   96 - HB2   PRO   52  14.63 +/- 0.29   0.006% *  0.1301% (0.29   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG2   MET   96  22.41 +/- 1.26   0.000% *  0.3843% (0.87   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG2   MET   96  21.74 +/- 0.37   0.001% *  0.1105% (0.25   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   PRO   52  23.58 +/- 0.47   0.000% *  0.1042% (0.24   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   MET   96  30.11 +/- 2.74   0.000% *  0.3043% (0.69   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   PRO   52  29.15 +/- 1.20   0.000% *  0.1129% (0.25   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   52  36.26 +/- 3.81   0.000% *  0.0894% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1126 (2.61, 2.61, 32.67 ppm):
    2 diagonal assignments:
    *     HG2   MET   96 - HG2   MET   96  (1.00)  kept
          HB2   PRO   52 - HB2   PRO   52  (0.11)  kept
 
    Peak 1127 (2.47, 2.61, 32.67 ppm):
    10 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 115.5:
    * O T HG3   MET   96 - HG2   MET   96   1.75 +/- 0.00  99.975% * 98.2230% (0.61   4.00 115.54) = 100.000%  kept
          HB3   TRP   87 - HG2   MET   96   7.17 +/- 0.59   0.024% *  0.1803% (0.22   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   MET   96  17.77 +/- 0.82   0.000% *  0.6763% (0.84   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   PRO   52  13.35 +/- 0.75   0.001% *  0.0661% (0.08   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG2   MET   96  17.61 +/- 0.53   0.000% *  0.1803% (0.22   0.02   0.02) =   0.000%
        T HG3   MET   96 - HB2   PRO   52  16.96 +/- 0.32   0.000% *  0.1443% (0.18   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HB2   PRO   52  14.92 +/- 0.55   0.000% *  0.0530% (0.07   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG2   MET   96  19.74 +/- 0.56   0.000% *  0.2251% (0.28   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB2   PRO   52  15.84 +/- 0.39   0.000% *  0.0530% (0.07   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   PRO   52  32.57 +/- 1.17   0.000% *  0.1987% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1128 (5.31, 2.47, 32.67 ppm):
    2 chemical-shift based assignments, quality = 0.595, support = 4.44, residual support = 115.5:
    * O T HA    MET   96 - HG3   MET   96   2.47 +/- 0.38  99.960% * 99.8978% (0.59   4.44 115.54) = 100.000%  kept
          HA    PHE   72 - HG3   MET   96  10.13 +/- 0.67   0.040% *  0.1022% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1129 (2.21, 2.47, 32.67 ppm):
    7 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.5:
    * O T HB2   MET   96 - HG3   MET   96   2.82 +/- 0.20  99.733% * 98.3170% (0.61   4.44 115.54) =  99.999%  kept
          HB2   ASP- 105 - HG3   MET   96   7.92 +/- 0.48   0.238% *  0.1820% (0.25   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   MET   96  12.46 +/- 0.64   0.015% *  0.3383% (0.46   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   MET   96  13.83 +/- 0.71   0.008% *  0.3215% (0.44   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   MET   96  16.21 +/- 0.44   0.003% *  0.2864% (0.39   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   MET   96  17.71 +/- 0.87   0.002% *  0.3041% (0.42   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   MET   96  19.17 +/- 0.92   0.001% *  0.2506% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 4.44, residual support = 115.5:
    * O T HB3   MET   96 - HG3   MET   96   2.87 +/- 0.12  99.968% * 98.8408% (0.61   4.44 115.54) = 100.000%  kept
          HB2   LEU   40 - HG3   MET   96  11.28 +/- 0.71   0.031% *  0.3564% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG3   MET   96  22.74 +/- 1.61   0.000% *  0.3861% (0.53   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG3   MET   96  21.52 +/- 0.31   0.001% *  0.1110% (0.15   0.02   0.02) =   0.000%
          HG3   MET   11 - HG3   MET   96  30.42 +/- 2.41   0.000% *  0.3057% (0.42   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1131 (2.61, 2.47, 32.67 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 115.5:
    * O T HG2   MET   96 - HG3   MET   96   1.75 +/- 0.00 100.000% * 99.8127% (0.61   4.00 115.54) = 100.000%  kept
        T HB2   PRO   52 - HG3   MET   96  16.96 +/- 0.32   0.000% *  0.1873% (0.23   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1132 (2.47, 2.47, 32.67 ppm):
    1 diagonal assignment:
    *     HG3   MET   96 - HG3   MET   96  (0.37)  kept
 
    Peak 1133 (5.36, 5.36, 56.63 ppm):
    1 diagonal assignment:
    *     HA    PHE   97 - HA    PHE   97  (1.00)  kept
 
    Peak 1134 (2.99, 5.36, 56.63 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.89, residual support = 62.6:
    * O T HB2   PHE   97 - HA    PHE   97   3.07 +/- 0.01  98.952% * 98.0625% (1.00   2.89  62.60) =  99.996%  kept
          QE    LYS+  99 - HA    PHE   97   7.12 +/- 0.50   0.701% *  0.2786% (0.41   0.02   0.02) =   0.002%
          QE    LYS+ 106 - HA    PHE   97   8.36 +/- 0.63   0.273% *  0.4921% (0.73   0.02  11.08) =   0.001%
          HB3   PHE   60 - HA    PHE   97  11.04 +/- 0.37   0.047% *  0.3565% (0.53   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   97  12.90 +/- 0.55   0.019% *  0.6762% (1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    PHE   97  14.70 +/- 0.39   0.008% *  0.1341% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1135 (2.36, 5.36, 56.63 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.44, residual support = 62.6:
    * O T HB3   PHE   97 - HA    PHE   97   2.53 +/- 0.08  99.982% * 98.4072% (0.95   3.44  62.60) = 100.000%  kept
          HB2   GLU- 100 - HA    PHE   97  11.04 +/- 0.38   0.015% *  0.4392% (0.73   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    PHE   97  16.73 +/- 0.24   0.001% *  0.5052% (0.84   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PHE   97  18.86 +/- 0.22   0.001% *  0.5424% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    PHE   97  17.80 +/- 0.74   0.001% *  0.1059% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1136 (5.36, 2.99, 40.60 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.89, residual support = 62.6:
    * O T HA    PHE   97 - HB2   PHE   97   3.07 +/- 0.01 100.000% *100.0000% (1.00   2.89  62.60) = 100.000%  kept
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1137 (2.99, 2.99, 40.60 ppm):
    1 diagonal assignment:
    *     HB2   PHE   97 - HB2   PHE   97  (1.00)  kept
 
    Peak 1138 (2.36, 2.99, 40.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.31, residual support = 62.6:
    * O T HB3   PHE   97 - HB2   PHE   97   1.75 +/- 0.00  99.998% * 98.3470% (0.95   3.31  62.60) = 100.000%  kept
          HB2   GLU- 100 - HB2   PHE   97  11.26 +/- 0.63   0.002% *  0.4558% (0.73   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   PHE   97  14.79 +/- 0.31   0.000% *  0.5243% (0.84   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PHE   97  19.05 +/- 0.25   0.000% *  0.5630% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   97  19.95 +/- 0.70   0.000% *  0.1099% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1139 (5.36, 2.36, 40.60 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.44, residual support = 62.6:
    * O T HA    PHE   97 - HB3   PHE   97   2.53 +/- 0.08 100.000% *100.0000% (0.95   3.44  62.60) = 100.000%  kept
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1140 (2.99, 2.36, 40.60 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.31, residual support = 62.6:
    * O T HB2   PHE   97 - HB3   PHE   97   1.75 +/- 0.00  99.915% * 98.3030% (0.95   3.31  62.60) = 100.000%  kept
          QE    LYS+  99 - HB3   PHE   97   6.11 +/- 0.68   0.071% *  0.2440% (0.39   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB3   PHE   97   8.26 +/- 0.83   0.012% *  0.4310% (0.69   0.02  11.08) =   0.000%
          HB3   PHE   60 - HB3   PHE   97  11.76 +/- 0.44   0.001% *  0.3123% (0.50   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   PHE   97  15.39 +/- 0.57   0.000% *  0.5922% (0.94   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   PHE   97  14.67 +/- 0.49   0.000% *  0.1175% (0.19   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 81.1:
    * O T QB    LEU   98 - HA    LEU   98   2.28 +/- 0.09  99.935% * 97.0778% (0.87   4.97  81.15) = 100.000%  kept
          HD3   LYS+ 121 - HA    LEU   98  10.13 +/- 0.63   0.014% *  0.4499% (1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LEU   98   8.60 +/- 0.37   0.036% *  0.0890% (0.20   0.02   0.51) =   0.000%
          HB3   LEU   67 - HA    LEU   98  12.19 +/- 0.42   0.004% *  0.0890% (0.20   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LEU   98  12.35 +/- 0.80   0.004% *  0.0694% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LEU   98  17.18 +/- 0.73   0.001% *  0.4342% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LEU   98  17.37 +/- 0.41   0.001% *  0.4489% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LEU   98  13.92 +/- 0.63   0.002% *  0.1122% (0.25   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LEU   98  16.31 +/- 0.84   0.001% *  0.2729% (0.61   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LEU   98  16.58 +/- 0.18   0.001% *  0.2367% (0.53   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LEU   98  17.35 +/- 1.08   0.001% *  0.2190% (0.49   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LEU   98  16.77 +/- 0.18   0.001% *  0.1389% (0.31   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   98  22.43 +/- 1.82   0.000% *  0.2729% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   98  19.91 +/- 0.76   0.000% *  0.0890% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 0.952, support = 4.63, residual support = 77.2:
    *   T QD1   LEU   98 - HA    LEU   98   2.97 +/- 0.36  81.661% * 81.4699% (1.00   4.86  81.15) =  95.193%  kept
          QD2   LEU  104 - HA    LEU   98   4.04 +/- 0.69  18.319% * 18.3380% (0.31   3.55   7.79) =   4.807%
          QG2   ILE   19 - HA    LEU   98  13.28 +/- 0.58   0.012% *  0.1257% (0.38   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU   98  14.20 +/- 0.61   0.008% *  0.0663% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.997, support = 4.28, residual support = 78.3:
    *   T QD2   LEU   98 - HA    LEU   98   3.77 +/- 0.21  89.637% * 64.2199% (1.00   4.39  81.15) =  94.152%  kept
          QG2   VAL   41 - HA    LEU   98   5.53 +/- 0.24  10.109% * 35.3669% (0.95   2.55  32.33) =   5.847%  kept
          QD2   LEU   63 - HA    LEU   98  10.51 +/- 0.94   0.223% *  0.1204% (0.41   0.02   0.02) =   0.000%
        T QD1   LEU   80 - HA    LEU   98  14.87 +/- 1.34   0.031% *  0.2928% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.98 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 = 81.1:
    * O T HA    LEU   98 - QB    LEU   98   2.28 +/- 0.09 100.000% *100.0000% (0.87   4.97  81.15) = 100.000%  kept
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1147 (1.41, 1.41, 47.50 ppm):
    1 diagonal assignment:
    *     QB    LEU   98 - QB    LEU   98  (0.75)  kept
 
    Peak 1148 (0.71, 1.41, 47.50 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.89, residual support = 81.1:
    * O T QD1   LEU   98 - QB    LEU   98   2.12 +/- 0.14  99.287% * 99.5486% (0.87   3.89  81.15) =  99.999%  kept
          QD2   LEU  104 - QB    LEU   98   5.21 +/- 0.60   0.701% *  0.1580% (0.27   0.02   7.79) =   0.001%
        T QG2   ILE   19 - QB    LEU   98  10.53 +/- 0.59   0.007% *  0.1921% (0.33   0.02   0.02) =   0.000%
        T QD1   ILE   19 - QB    LEU   98  11.41 +/- 0.57   0.005% *  0.1013% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1149 (0.55, 1.41, 47.50 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.44, residual support = 81.1:
    * O T QD2   LEU   98 - QB    LEU   98   2.05 +/- 0.07  93.816% * 98.6481% (0.87   3.44  81.15) =  99.964%  kept
        T QG2   VAL   41 - QB    LEU   98   3.24 +/- 0.07   6.173% *  0.5426% (0.82   0.02  32.33) =   0.036%
        T QD1   LEU   80 - QB    LEU   98  11.75 +/- 1.25   0.003% *  0.5735% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - QB    LEU   98  10.24 +/- 0.85   0.007% *  0.2358% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 4.86, residual support = 81.1:
    *   T HA    LEU   98 - QD1   LEU   98   2.97 +/- 0.36 100.000% *100.0000% (1.00   4.86  81.15) = 100.000%  kept
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1151 (1.41, 0.71, 25.69 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 3.89, residual support = 81.1:
    * O T QB    LEU   98 - QD1   LEU   98   2.12 +/- 0.14  99.894% * 96.2925% (0.87   3.89  81.15) = 100.000%  kept
          HB    VAL   42 - QD1   LEU   98   8.49 +/- 1.10   0.054% *  0.1130% (0.20   0.02   0.51) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   98  10.72 +/- 0.95   0.009% *  0.5708% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   98   9.77 +/- 1.18   0.021% *  0.0881% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   LEU   98  12.34 +/- 0.85   0.003% *  0.5509% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   98  13.99 +/- 1.11   0.002% *  0.5696% (1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - QD1   LEU   98  12.65 +/- 1.16   0.003% *  0.2779% (0.49   0.02   0.02) =   0.000%
        T HG12  ILE   19 - QD1   LEU   98  13.89 +/- 1.16   0.002% *  0.3462% (0.61   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   98  13.75 +/- 1.07   0.002% *  0.3003% (0.53   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   98  11.76 +/- 0.65   0.004% *  0.1423% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   98  12.19 +/- 0.97   0.004% *  0.1130% (0.20   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   98  14.77 +/- 1.05   0.001% *  0.1762% (0.31   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   98  19.47 +/- 1.61   0.000% *  0.3462% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   98  18.02 +/- 1.30   0.000% *  0.1130% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1152 (0.71, 0.71, 25.69 ppm):
    1 diagonal assignment:
    *     QD1   LEU   98 - QD1   LEU   98  (1.00)  kept
 
    Peak 1153 (0.55, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.8, residual support = 81.1:
    * O T QD2   LEU   98 - QD1   LEU   98   2.08 +/- 0.05  98.630% * 98.3450% (1.00   2.80  81.15) =  99.991%  kept
          QG2   VAL   41 - QD1   LEU   98   4.50 +/- 0.53   1.355% *  0.6642% (0.95   0.02  32.33) =   0.009%
        T QD1   LEU   80 - QD1   LEU   98  10.96 +/- 1.06   0.006% *  0.7021% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD1   LEU   98  10.23 +/- 1.16   0.009% *  0.2887% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1154 (5.51, 0.55, 25.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.39, residual support = 81.1:
    *   T HA    LEU   98 - QD2   LEU   98   3.77 +/- 0.21  99.965% * 99.7393% (1.00   4.39  81.15) = 100.000%  kept
        T HA    LEU   98 - QD1   LEU   80  14.87 +/- 1.34   0.035% *  0.2607% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.93 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 = 0.685, support = 3.95, residual support = 80.7:
    * O T QB    LEU   98 - QD2   LEU   98   2.05 +/- 0.07  48.001% * 41.2419% (0.87   3.44  81.15) =  62.986%  kept
      O   HG    LEU   80 - QD1   LEU   80   2.11 +/- 0.01  40.888% * 18.3966% (0.28   4.77  79.86) =  23.933%  kept
      O T HB2   LEU   80 - QD1   LEU   80   2.76 +/- 0.36  10.926% * 37.6296% (0.55   4.92  79.86) =  13.081%  kept
          HB3   LYS+  74 - QD1   LEU   80   7.46 +/- 1.58   0.040% *  0.1581% (0.57   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   98   7.08 +/- 0.90   0.041% *  0.0547% (0.20   0.02   0.51) =   0.000%
          HB3   LEU   73 - QD1   LEU   80   7.23 +/- 1.72   0.057% *  0.0244% (0.09   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD2   LEU   98   7.82 +/- 0.94   0.023% *  0.0427% (0.15   0.02   0.02) =   0.000%
        T HB2   LEU   80 - QD2   LEU   98  11.03 +/- 0.65   0.002% *  0.2668% (0.97   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   98  11.20 +/- 0.83   0.002% *  0.2764% (1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   98  12.14 +/- 0.74   0.001% *  0.2758% (1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD2   LEU   98  11.16 +/- 0.89   0.002% *  0.1346% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   98  10.28 +/- 1.14   0.004% *  0.0689% (0.25   0.02   0.02) =   0.000%
        T QB    LEU   98 - QD1   LEU   80  11.75 +/- 1.25   0.002% *  0.1374% (0.50   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   98  11.93 +/- 0.84   0.001% *  0.1677% (0.61   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   LEU   80  11.40 +/- 1.44   0.002% *  0.0961% (0.35   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD2   LEU   98  11.12 +/- 0.86   0.002% *  0.0547% (0.20   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   98  13.27 +/- 0.99   0.001% *  0.1454% (0.53   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   98  13.61 +/- 0.86   0.001% *  0.0853% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   80  13.78 +/- 1.09   0.001% *  0.0834% (0.30   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   80  13.74 +/- 1.72   0.001% *  0.0395% (0.14   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   80  14.00 +/- 1.33   0.001% *  0.0489% (0.18   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   80  13.20 +/- 1.56   0.001% *  0.0314% (0.11   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   98  18.04 +/- 1.43   0.000% *  0.1677% (0.61   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   80  17.95 +/- 1.96   0.000% *  0.0961% (0.35   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   98  16.60 +/- 1.20   0.000% *  0.0547% (0.20   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   80  20.68 +/- 1.42   0.000% *  0.1585% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   80  17.30 +/- 1.53   0.000% *  0.0314% (0.11   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   80  18.55 +/- 1.93   0.000% *  0.0314% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1156 (0.71, 0.55, 25.87 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.8, residual support = 81.1:
    * O T QD1   LEU   98 - QD2   LEU   98   2.08 +/- 0.05  99.701% * 98.6196% (1.00   2.80  81.15) =  99.999%  kept
        T QD2   LEU  104 - QD2   LEU   98   6.33 +/- 0.57   0.156% *  0.2173% (0.31   0.02   7.79) =   0.000%
          QG2   ILE   19 - QD1   LEU   80   7.20 +/- 1.22   0.094% *  0.1515% (0.22   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD2   LEU   98   9.17 +/- 0.66   0.015% *  0.2643% (0.38   0.02   0.02) =   0.000%
        T QD1   LEU   98 - QD1   LEU   80  10.96 +/- 1.06   0.006% *  0.4036% (0.57   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   80   9.00 +/- 1.17   0.021% *  0.0799% (0.11   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   98  10.20 +/- 0.66   0.008% *  0.1393% (0.20   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   80  15.77 +/- 1.42   0.001% *  0.1246% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1157 (0.55, 0.55, 25.87 ppm):
    2 diagonal assignments:
    *     QD2   LEU   98 - QD2   LEU   98  (1.00)  kept
          QD1   LEU   80 - QD1   LEU   80  (0.57)  kept
 
    Peak 1158 (4.38, 4.38, 58.15 ppm):
    1 diagonal assignment:
    *     HA    LYS+  99 - HA    LYS+  99  (1.00)  kept
 
    Peak 1160 (1.24, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 173.9:
    * O T HG3   LYS+  99 - HA    LYS+  99   3.13 +/- 0.41  97.629% * 98.2978% (1.00   6.44 173.87) =  99.995%  kept
          QG2   THR   39 - HA    LYS+  99   6.29 +/- 0.25   1.868% *  0.1974% (0.65   0.02   0.02) =   0.004%
        T HG3   LYS+  38 - HA    LYS+  99   8.09 +/- 0.63   0.434% *  0.1145% (0.38   0.02   0.02) =   0.001%
          HG    LEU   71 - HA    LYS+  99  11.75 +/- 0.50   0.044% *  0.3024% (0.99   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  99  15.17 +/- 0.92   0.010% *  0.2886% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  99  17.99 +/- 0.51   0.003% *  0.3044% (1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HA    LYS+  99  16.94 +/- 0.29   0.005% *  0.1254% (0.41   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  99  16.92 +/- 0.15   0.005% *  0.0679% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  99  20.41 +/- 0.84   0.002% *  0.1974% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LYS+  99  23.23 +/- 0.33   0.001% *  0.1041% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1161 (1.70, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.517, support = 6.17, residual support = 173.9:
      O T HB3   LYS+  99 - HA    LYS+  99   2.56 +/- 0.21  91.037% * 30.2687% (0.41   6.25 173.87) =  82.009%  kept
    *   T QD    LYS+  99 - HA    LYS+  99   3.87 +/- 0.29   8.816% * 68.5657% (1.00   5.82 173.87) =  17.990%  kept
          QD    LYS+ 102 - HA    LYS+  99   7.94 +/- 0.49   0.119% *  0.0525% (0.22   0.02   1.99) =   0.000%
        T QD    LYS+ 106 - HA    LYS+  99  11.41 +/- 0.95   0.017% *  0.2353% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+  99  12.43 +/- 0.90   0.008% *  0.2176% (0.92   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HA    LYS+  99  17.86 +/- 0.21   0.001% *  0.1240% (0.53   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  99  19.00 +/- 0.53   0.001% *  0.0969% (0.41   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  99  22.54 +/- 0.26   0.000% *  0.1888% (0.80   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+  99  23.77 +/- 0.39   0.000% *  0.1620% (0.69   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  99  22.42 +/- 0.24   0.000% *  0.0885% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1162 (1.33, 4.38, 58.15 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.08, residual support = 173.9:
    * O T HG2   LYS+  99 - HA    LYS+  99   2.50 +/- 0.27  94.222% * 98.2876% (1.00   7.08 173.87) =  99.996%  kept
          HG    LEU   98 - HA    LYS+  99   5.75 +/- 1.30   5.562% *  0.0618% (0.22   0.02  18.01) =   0.004%
        T HG2   LYS+  38 - HA    LYS+  99   7.51 +/- 0.60   0.179% *  0.2722% (0.98   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    LYS+  99  10.21 +/- 0.48   0.026% *  0.2319% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  99  15.08 +/- 0.54   0.002% *  0.1572% (0.57   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  99  15.87 +/- 0.45   0.002% *  0.2016% (0.73   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  99  14.88 +/- 0.46   0.003% *  0.1245% (0.45   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  99  16.69 +/- 0.70   0.001% *  0.0857% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  99  19.26 +/- 0.70   0.001% *  0.1907% (0.69   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  99  17.40 +/- 0.25   0.001% *  0.0947% (0.34   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  99  16.45 +/- 0.25   0.001% *  0.0428% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  99  22.23 +/- 0.35   0.000% *  0.2490% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 1.0, support = 5.8, residual support = 173.9:
    *   T QE    LYS+  99 - HA    LYS+  99   3.91 +/- 0.35  96.477% * 99.1649% (1.00   5.80 173.87) =  99.992%  kept
        T QE    LYS+  38 - HA    LYS+  99   8.83 +/- 0.49   0.933% *  0.3066% (0.90   0.02   0.02) =   0.003%
        T QE    LYS+ 102 - HA    LYS+  99   8.66 +/- 0.47   0.985% *  0.2348% (0.69   0.02   1.99) =   0.002%
          HB2   PHE   97 - HA    LYS+  99   7.90 +/- 0.25   1.567% *  0.1405% (0.41   0.02   0.02) =   0.002%
          HB3   TRP   27 - HA    LYS+  99  14.87 +/- 0.56   0.037% *  0.1532% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1164 (4.38, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.0, residual support = 173.8:
    * O T HA    LYS+  99 - HB2   LYS+  99   2.95 +/- 0.18  84.223% * 98.7202% (1.00   7.00 173.87) =  99.986%  kept
          HA    LEU   40 - HB2   LYS+  99   4.13 +/- 0.68  15.597% *  0.0703% (0.25   0.02  14.08) =   0.013%
          HA    ASN   35 - HB2   LYS+  99   8.45 +/- 0.42   0.173% *  0.2722% (0.97   0.02   0.02) =   0.001%
          HA    LEU  123 - HB2   LYS+  99  16.98 +/- 0.64   0.003% *  0.2447% (0.87   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LYS+  99  21.70 +/- 0.62   0.001% *  0.2668% (0.95   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LYS+  99  22.16 +/- 0.32   0.001% *  0.2356% (0.84   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   LYS+  99  19.40 +/- 0.64   0.001% *  0.0703% (0.25   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LYS+  99  17.85 +/- 1.33   0.002% *  0.0382% (0.14   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LYS+  99  22.72 +/- 0.68   0.000% *  0.0435% (0.15   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LYS+  99  23.06 +/- 1.69   0.000% *  0.0382% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1165 (1.77, 1.77, 37.34 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  99 - HB2   LYS+  99  (1.00)  kept
 
    Peak 1166 (1.24, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 173.9:
    * O T HG3   LYS+  99 - HB2   LYS+  99   2.49 +/- 0.28  99.769% * 98.2975% (1.00   6.44 173.87) = 100.000%  kept
          QG2   THR   39 - HB2   LYS+  99   7.57 +/- 0.54   0.168% *  0.1974% (0.65   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HB2   LYS+  99   9.45 +/- 0.76   0.054% *  0.1145% (0.38   0.02   0.02) =   0.000%
          HG    LEU   71 - HB2   LYS+  99  13.85 +/- 0.79   0.004% *  0.3025% (0.99   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  99  17.28 +/- 1.27   0.001% *  0.2887% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  99  19.38 +/- 0.84   0.001% *  0.3045% (1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HB2   LYS+  99  17.77 +/- 0.49   0.001% *  0.1255% (0.41   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  99  16.99 +/- 0.51   0.001% *  0.0679% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  99  20.70 +/- 0.99   0.000% *  0.1974% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+  99  22.41 +/- 0.53   0.000% *  0.1041% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.521, support = 5.15, residual support = 173.9:
      O   HB3   LYS+  99 - HB2   LYS+  99   1.75 +/- 0.00  92.266% * 26.2849% (0.41   5.02 173.87) =  81.289%  kept
    * O   QD    LYS+  99 - HB2   LYS+  99   2.81 +/- 0.40   7.704% * 72.4570% (1.00   5.69 173.87) =  18.711%  kept
          QD    LYS+ 102 - HB2   LYS+  99   7.08 +/- 0.77   0.027% *  0.0567% (0.22   0.02   1.99) =   0.000%
          QD    LYS+ 106 - HB2   LYS+  99  10.63 +/- 0.76   0.002% *  0.2539% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+  99  14.38 +/- 1.17   0.000% *  0.2349% (0.92   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB2   LYS+  99  17.59 +/- 0.52   0.000% *  0.1339% (0.53   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+  99  17.19 +/- 0.48   0.000% *  0.1046% (0.41   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+  99  22.58 +/- 0.49   0.000% *  0.2038% (0.80   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HB2   LYS+  99  22.66 +/- 0.41   0.000% *  0.1748% (0.69   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB2   LYS+  99  22.57 +/- 0.54   0.000% *  0.0955% (0.38   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1168 (1.33, 1.77, 37.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.08, residual support = 173.9:
    * O   HG2   LYS+  99 - HB2   LYS+  99   2.92 +/- 0.18  98.477% * 98.2874% (1.00   7.08 173.87) =  99.999%  kept
          HG    LEU   98 - HB2   LYS+  99   6.63 +/- 0.92   1.371% *  0.0618% (0.22   0.02  18.01) =   0.001%
          HG2   LYS+  38 - HB2   LYS+  99   9.20 +/- 0.59   0.111% *  0.2722% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+  99  12.92 +/- 0.55   0.014% *  0.2320% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  99  14.99 +/- 0.71   0.006% *  0.1572% (0.57   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  99  16.19 +/- 0.50   0.004% *  0.2017% (0.73   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  99  15.42 +/- 0.88   0.005% *  0.1245% (0.45   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  99  15.24 +/- 0.65   0.005% *  0.0857% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  99  21.34 +/- 0.45   0.001% *  0.2491% (0.90   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  99  18.22 +/- 0.45   0.002% *  0.0947% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  99  21.17 +/- 0.92   0.001% *  0.1908% (0.69   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+  99  17.57 +/- 0.45   0.002% *  0.0429% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1169 (3.01, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.46, residual support = 173.9:
    *     QE    LYS+  99 - HB2   LYS+  99   3.15 +/- 0.75  97.225% * 99.1132% (1.00   5.46 173.87) =  99.994%  kept
          QE    LYS+ 102 - HB2   LYS+  99   7.89 +/- 0.69   1.035% *  0.2493% (0.69   0.02   1.99) =   0.003%
          HB2   PHE   97 - HB2   LYS+  99   7.03 +/- 0.46   1.557% *  0.1492% (0.41   0.02   0.02) =   0.002%
          QE    LYS+  38 - HB2   LYS+  99   9.94 +/- 0.52   0.177% *  0.3255% (0.90   0.02   0.02) =   0.001%
          HB3   TRP   27 - HB2   LYS+  99  17.22 +/- 0.81   0.007% *  0.1627% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1170 (4.38, 1.24, 26.01 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 173.8:
    * O T HA    LYS+  99 - HG3   LYS+  99   3.13 +/- 0.41  66.366% * 97.7662% (1.00   6.44 173.87) =  99.962%  kept
          HA    LEU   40 - HG3   LYS+  99   3.86 +/- 1.11  29.288% *  0.0757% (0.25   0.02  14.08) =   0.034%
          HA    ASN   35 - HG3   LYS+  99   7.47 +/- 0.62   0.452% *  0.2929% (0.97   0.02   0.02) =   0.002%
          HA    ASN   35 - HG3   LYS+  38   5.78 +/- 0.63   3.368% *  0.0306% (0.10   0.02   0.02) =   0.002%
        T HA    LYS+  99 - HG3   LYS+  38   8.09 +/- 0.63   0.331% *  0.0317% (0.10   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   LYS+  38   9.09 +/- 0.32   0.160% *  0.0079% (0.03   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  99  17.51 +/- 0.73   0.003% *  0.2632% (0.87   0.02   0.02) =   0.000%
          HA    ILE   56 - HG12  ILE   89  16.59 +/- 0.24   0.004% *  0.1164% (0.38   0.02   0.02) =   0.000%
        T HA    LYS+  99 - HG12  ILE   89  16.94 +/- 0.29   0.004% *  0.1231% (0.41   0.02   0.02) =   0.000%
          HA    ASN   35 - HG12  ILE   89  18.86 +/- 0.36   0.002% *  0.1188% (0.39   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  99  23.10 +/- 0.77   0.001% *  0.2871% (0.95   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG12  ILE   89  20.04 +/- 0.44   0.001% *  0.1028% (0.34   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  99  16.96 +/- 1.66   0.003% *  0.0411% (0.14   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  99  24.03 +/- 0.40   0.000% *  0.2535% (0.84   0.02   0.02) =   0.000%
          HA    LEU   40 - HG12  ILE   89  17.31 +/- 0.31   0.003% *  0.0307% (0.10   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  99  20.50 +/- 0.84   0.001% *  0.0757% (0.25   0.02   0.02) =   0.000%
          HA    PHE   59 - HG12  ILE   89  19.05 +/- 0.23   0.002% *  0.0307% (0.10   0.02   0.02) =   0.000%
          HA    LEU  123 - HG12  ILE   89  25.69 +/- 0.40   0.000% *  0.1068% (0.35   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  99  21.79 +/- 1.65   0.001% *  0.0411% (0.14   0.02   0.02) =   0.000%
          HA    PRO   58 - HG12  ILE   89  20.49 +/- 0.22   0.001% *  0.0190% (0.06   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  99  23.60 +/- 0.97   0.000% *  0.0468% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  38  17.33 +/- 1.13   0.004% *  0.0043% (0.01   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  38  23.29 +/- 0.83   0.001% *  0.0275% (0.09   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG12  ILE   89  23.26 +/- 0.79   0.001% *  0.0167% (0.05   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  38  20.37 +/- 1.97   0.002% *  0.0043% (0.01   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  38  29.13 +/- 0.38   0.000% *  0.0300% (0.10   0.02   0.02) =   0.000%
          HA    SER   13 - HG12  ILE   89  29.01 +/- 2.42   0.000% *  0.0167% (0.05   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  38  31.15 +/- 0.49   0.000% *  0.0265% (0.09   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  38  26.43 +/- 0.43   0.000% *  0.0079% (0.03   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  38  28.86 +/- 0.53   0.000% *  0.0049% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 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 = 0.887, support = 4.93, residual support = 178.4:
    * O T QE    LYS+  99 - HG3   LYS+  99   2.75 +/- 0.47  35.665% * 91.2715% (1.00   5.02 173.87) =  87.522%  kept
      O T QE    LYS+  38 - HG3   LYS+  38   2.41 +/- 0.25  64.125% *  7.2369% (0.09   4.26 209.82) =  12.477%  kept
        T QE    LYS+  38 - HG3   LYS+  99   8.24 +/- 0.53   0.044% *  0.3258% (0.90   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  99   9.18 +/- 0.95   0.033% *  0.2496% (0.69   0.02   1.99) =   0.000%
          HB2   PHE   97 - HG3   LYS+  99   9.05 +/- 0.46   0.026% *  0.1494% (0.41   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  38   8.04 +/- 1.00   0.089% *  0.0379% (0.10   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG12  ILE   89  11.37 +/- 0.26   0.007% *  0.0661% (0.18   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG12  ILE   89  12.98 +/- 0.30   0.003% *  0.0606% (0.17   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  38  12.62 +/- 1.39   0.005% *  0.0260% (0.07   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG12  ILE   89  15.33 +/- 0.87   0.001% *  0.1012% (0.28   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  99  17.64 +/- 1.10   0.000% *  0.1629% (0.45   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG12  ILE   89  17.52 +/- 0.48   0.000% *  0.1473% (0.41   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  38  15.83 +/- 0.71   0.001% *  0.0156% (0.04   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG12  ILE   89  22.80 +/- 0.72   0.000% *  0.1321% (0.36   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  38  19.02 +/- 0.58   0.000% *  0.0170% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 0.944, support = 5.47, residual support = 162.0:
    *   T HA    LYS+  99 - QD    LYS+  99   3.87 +/- 0.29  36.375% * 92.9039% (1.00   5.82 173.87) =  92.598%  kept
          HA    LEU   40 - QD    LYS+  99   3.50 +/- 0.93  62.740% *  4.3019% (0.25   1.08  14.08) =   7.396%  kept
          HA    ASN   35 - QD    LYS+  99   8.00 +/- 0.50   0.568% *  0.3083% (0.97   0.02   0.02) =   0.005%
        T HA    LYS+  99 - QD    LYS+ 106  11.41 +/- 0.95   0.108% *  0.2572% (0.81   0.02   0.02) =   0.001%
          HA    ASP- 113 - QD    LYS+ 106  13.24 +/- 1.35   0.031% *  0.2148% (0.67   0.02   0.02) =   0.000%
        T HA    LEU  123 - QD    LYS+  99  14.17 +/- 0.78   0.020% *  0.2771% (0.87   0.02   0.02) =   0.000%
          HA    LEU   40 - QD    LYS+ 106  11.95 +/- 0.80   0.072% *  0.0641% (0.20   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    LYS+ 106  15.28 +/- 1.18   0.017% *  0.2482% (0.78   0.02   0.02) =   0.000%
        T HA    ILE   56 - QD    LYS+ 106  14.64 +/- 0.81   0.016% *  0.2433% (0.76   0.02   0.02) =   0.000%
        T HA    LEU  123 - QD    LYS+ 106  17.30 +/- 0.77   0.006% *  0.2231% (0.70   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+ 106  15.11 +/- 0.75   0.014% *  0.0641% (0.20   0.02   0.02) =   0.000%
        T HA    ILE   56 - QD    LYS+  99  19.96 +/- 0.66   0.002% *  0.3022% (0.95   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD    LYS+  99  20.62 +/- 0.44   0.002% *  0.2668% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+  99  14.89 +/- 1.41   0.012% *  0.0432% (0.14   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+  99  17.38 +/- 0.62   0.005% *  0.0797% (0.25   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+ 106  18.22 +/- 0.76   0.004% *  0.0397% (0.12   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+  99  19.26 +/- 1.37   0.003% *  0.0432% (0.14   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+  99  20.26 +/- 0.69   0.002% *  0.0493% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+ 106  21.35 +/- 1.48   0.002% *  0.0348% (0.11   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+ 106  26.81 +/- 2.12   0.001% *  0.0348% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1179 (1.33, 1.70, 30.22 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.87, residual support = 173.9:
    * O   HG2   LYS+  99 - QD    LYS+  99   2.34 +/- 0.17  99.190% * 96.0895% (1.00   5.87 173.87) =  99.999%  kept
          HG2   LYS+  38 - QD    LYS+  99   7.47 +/- 0.70   0.102% *  0.3211% (0.98   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 106   7.51 +/- 0.84   0.136% *  0.1915% (0.58   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+ 106   7.42 +/- 1.88   0.407% *  0.0587% (0.18   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  99   8.09 +/- 0.85   0.080% *  0.0729% (0.22   0.02  18.01) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+ 106   9.91 +/- 1.02   0.022% *  0.2366% (0.72   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 106  11.14 +/- 1.06   0.011% *  0.1183% (0.36   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  99  12.69 +/- 0.59   0.004% *  0.2736% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    LYS+ 106  12.85 +/- 0.79   0.004% *  0.2638% (0.81   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 106  11.14 +/- 1.05   0.011% *  0.0900% (0.27   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  99  13.39 +/- 0.76   0.003% *  0.1855% (0.57   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  99  12.38 +/- 0.74   0.006% *  0.1011% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 106  13.05 +/- 0.72   0.004% *  0.1493% (0.46   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 106  11.16 +/- 1.06   0.011% *  0.0407% (0.12   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 106  15.02 +/- 1.42   0.002% *  0.2203% (0.67   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  99  14.54 +/- 0.82   0.002% *  0.1469% (0.45   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  99  16.36 +/- 0.54   0.001% *  0.2379% (0.73   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 106  16.14 +/- 1.57   0.001% *  0.1812% (0.55   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+ 106  17.75 +/- 1.20   0.001% *  0.2585% (0.79   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 106  16.72 +/- 0.74   0.001% *  0.0814% (0.25   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  99  20.57 +/- 0.51   0.000% *  0.2938% (0.90   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  99  17.56 +/- 0.41   0.001% *  0.1117% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  99  20.37 +/- 0.88   0.000% *  0.2250% (0.69   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  99  17.19 +/- 0.42   0.001% *  0.0505% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.24, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 173.9:
    * O T HG3   LYS+  99 - QD    LYS+  99   2.33 +/- 0.13  98.925% * 96.0394% (1.00   5.27 173.87) =  99.998%  kept
          QG2   THR   39 - QD    LYS+  99   5.60 +/- 0.76   0.862% *  0.2356% (0.65   0.02   0.02) =   0.002%
        T HG3   LYS+  38 - QD    LYS+  99   7.49 +/- 0.58   0.116% *  0.1367% (0.38   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QD    LYS+ 106   9.17 +/- 1.26   0.043% *  0.1205% (0.33   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  99  11.93 +/- 0.81   0.006% *  0.3609% (0.99   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+ 106  11.19 +/- 0.98   0.010% *  0.1897% (0.52   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+ 106  12.62 +/- 0.78   0.005% *  0.2932% (0.81   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 106  11.19 +/- 0.99   0.010% *  0.1000% (0.27   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+ 106  10.89 +/- 0.74   0.012% *  0.0653% (0.18   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  99  15.15 +/- 1.36   0.002% *  0.3445% (0.95   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+ 106  13.61 +/- 0.72   0.003% *  0.1897% (0.52   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 106  15.56 +/- 1.17   0.001% *  0.2926% (0.80   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 106  17.31 +/- 1.32   0.001% *  0.2906% (0.80   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  99  17.99 +/- 0.96   0.001% *  0.3634% (1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 106  19.12 +/- 1.21   0.000% *  0.2774% (0.76   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+  99  15.88 +/- 0.56   0.001% *  0.0811% (0.22   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QD    LYS+  99  17.89 +/- 0.47   0.001% *  0.1497% (0.41   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  99  20.02 +/- 0.89   0.000% *  0.2356% (0.65   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+ 106  18.26 +/- 1.16   0.000% *  0.1100% (0.30   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  99  21.43 +/- 0.51   0.000% *  0.1242% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1181 (3.01, 1.70, 30.22 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.7, residual support = 173.9:
    * O T QE    LYS+  99 - QD    LYS+  99   2.09 +/- 0.03  99.649% * 97.8277% (1.00   4.70 173.87) =  99.999%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.14 +/- 0.52   0.211% *  0.1379% (0.33   0.02  11.08) =   0.000%
        T QE    LYS+  38 - QD    LYS+  99   7.89 +/- 0.79   0.045% *  0.3735% (0.90   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+  99   7.72 +/- 0.50   0.043% *  0.1712% (0.41   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+ 106   8.69 +/- 1.14   0.026% *  0.2304% (0.55   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  99   8.96 +/- 0.87   0.020% *  0.2861% (0.69   0.02   1.99) =   0.000%
        T QE    LYS+  99 - QD    LYS+ 106  11.29 +/- 0.89   0.005% *  0.3354% (0.81   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  15.52 +/- 1.67   0.001% *  0.1503% (0.36   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+ 106  17.53 +/- 1.13   0.000% *  0.3008% (0.72   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  16.55 +/- 0.77   0.000% *  0.1867% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 0.708, support = 4.58, residual support = 111.8:
    *   T HA    LYS+  99 - QE    LYS+  99   3.91 +/- 0.35  14.937% * 87.1526% (1.00   5.80 173.87) =  61.125%  kept
          HA    LEU   40 - QE    LYS+  99   2.87 +/- 0.60  82.968% *  9.9760% (0.25   2.66  14.08) =  38.865%  kept
          HA    ASN   35 - QE    LYS+  38   6.37 +/- 0.82   1.388% *  0.0782% (0.26   0.02   0.02) =   0.005%
          HA    ASN   35 - QE    LYS+  99   8.16 +/- 0.84   0.172% *  0.2899% (0.97   0.02   0.02) =   0.002%
        T HA    LYS+  99 - QE    LYS+ 102   8.66 +/- 0.47   0.169% *  0.2049% (0.68   0.02   1.99) =   0.002%
          HA    ASN   35 - QE    LYS+ 102  10.86 +/- 1.08   0.065% *  0.1977% (0.66   0.02   0.02) =   0.001%
        T HA    LYS+  99 - QE    LYS+  38   8.83 +/- 0.49   0.147% *  0.0810% (0.27   0.02   0.02) =   0.001%
          HA    LEU  123 - QE    LYS+  99  13.34 +/- 0.60   0.013% *  0.2606% (0.87   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+ 102  10.90 +/- 0.42   0.039% *  0.0511% (0.17   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+  38   9.79 +/- 0.25   0.074% *  0.0202% (0.07   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  99  19.02 +/- 0.64   0.002% *  0.2842% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  99  13.92 +/- 1.19   0.008% *  0.0407% (0.14   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  99  20.03 +/- 0.96   0.001% *  0.2509% (0.84   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  99  16.36 +/- 0.56   0.004% *  0.0749% (0.25   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+ 102  21.17 +/- 1.10   0.001% *  0.1777% (0.59   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+ 102  21.77 +/- 1.02   0.001% *  0.1711% (0.57   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+ 102  23.15 +/- 0.63   0.000% *  0.1938% (0.65   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  99  18.40 +/- 1.67   0.002% *  0.0407% (0.14   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  99  19.16 +/- 0.48   0.001% *  0.0464% (0.15   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+  38  22.04 +/- 0.99   0.001% *  0.0703% (0.23   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  38  16.69 +/- 1.13   0.003% *  0.0110% (0.04   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+ 102  22.36 +/- 0.57   0.001% *  0.0511% (0.17   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  38  18.96 +/- 1.64   0.001% *  0.0110% (0.04   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+ 102  22.71 +/- 1.16   0.001% *  0.0277% (0.09   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  38  27.61 +/- 0.38   0.000% *  0.0767% (0.26   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+ 102  25.51 +/- 0.48   0.000% *  0.0316% (0.11   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  38  29.27 +/- 0.51   0.000% *  0.0677% (0.23   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  38  25.17 +/- 0.56   0.000% *  0.0202% (0.07   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+ 102  27.23 +/- 1.84   0.000% *  0.0277% (0.09   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  38  27.34 +/- 0.59   0.000% *  0.0125% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1189 (1.72, 3.01, 42.52 ppm):
    18 chemical-shift based assignments, quality = 0.708, support = 5.0, residual support = 173.9:
          HB3   LYS+  99 - QE    LYS+  99   2.62 +/- 0.50  26.995% * 72.1336% (1.00   5.31 173.87) =  50.426%  kept
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  72.906% * 26.2580% (0.41   4.70 173.87) =  49.574%  kept
          HB3   LYS+  99 - QE    LYS+ 102   8.74 +/- 0.71   0.019% *  0.1855% (0.68   0.02   1.99) =   0.000%
        T QD    LYS+ 106 - QE    LYS+ 102   8.69 +/- 1.14   0.020% *  0.0696% (0.26   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QE    LYS+ 102   8.96 +/- 0.87   0.016% *  0.0762% (0.28   0.02   1.99) =   0.000%
        T QD    LYS+  99 - QE    LYS+  38   7.89 +/- 0.79   0.031% *  0.0302% (0.11   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+  38  10.00 +/- 0.63   0.007% *  0.0734% (0.27   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  11.29 +/- 0.89   0.003% *  0.1021% (0.38   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  99  15.66 +/- 0.63   0.000% *  0.2666% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  12.90 +/- 0.83   0.001% *  0.0605% (0.22   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+ 102  17.44 +/- 0.87   0.000% *  0.1417% (0.52   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  99  18.81 +/- 0.44   0.000% *  0.2078% (0.76   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 102  18.64 +/- 0.58   0.000% *  0.1818% (0.67   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  16.80 +/- 1.20   0.000% *  0.0413% (0.15   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.53 +/- 1.13   0.000% *  0.0275% (0.10   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  17.27 +/- 0.42   0.000% *  0.0163% (0.06   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  38  23.31 +/- 0.35   0.000% *  0.0719% (0.26   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  38  24.10 +/- 0.85   0.000% *  0.0561% (0.21   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 0.88, support = 4.92, residual support = 178.7:
    * O T HG3   LYS+  99 - QE    LYS+  99   2.75 +/- 0.47  35.063% * 88.2990% (1.00   5.02 173.87) =  86.635%  kept
      O T HG3   LYS+  38 - QE    LYS+  38   2.41 +/- 0.25  62.994% *  7.5749% (0.10   4.26 209.82) =  13.353%  kept
          QG2   THR   39 - QE    LYS+  99   4.92 +/- 0.79   1.698% *  0.2274% (0.65   0.02   0.02) =   0.011%
        T HG3   LYS+  38 - QE    LYS+  99   8.04 +/- 1.00   0.085% *  0.1319% (0.38   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QE    LYS+ 102   9.18 +/- 0.95   0.032% *  0.2397% (0.68   0.02   1.99) =   0.000%
        T HG3   LYS+  99 - QE    LYS+  38   8.24 +/- 0.53   0.043% *  0.0948% (0.27   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+  38   7.90 +/- 0.47   0.059% *  0.0613% (0.17   0.02  15.15) =   0.000%
          HG    LEU   71 - QE    LYS+  99  11.05 +/- 0.82   0.009% *  0.3484% (0.99   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  99  14.24 +/- 1.06   0.002% *  0.3325% (0.95   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+ 102  12.78 +/- 0.47   0.003% *  0.1551% (0.44   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QE    LYS+ 102  12.62 +/- 1.39   0.005% *  0.0900% (0.26   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  99  17.07 +/- 0.69   0.001% *  0.3507% (1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  38  14.20 +/- 0.64   0.002% *  0.0940% (0.27   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+ 102  15.33 +/- 0.87   0.001% *  0.0985% (0.28   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  99  15.13 +/- 0.52   0.001% *  0.0783% (0.22   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 102  18.41 +/- 0.72   0.000% *  0.2376% (0.68   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  99  17.52 +/- 0.48   0.000% *  0.1445% (0.41   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+ 102  18.12 +/- 1.24   0.000% *  0.1551% (0.44   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  99  19.59 +/- 0.99   0.000% *  0.2274% (0.65   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  38  17.19 +/- 0.83   0.001% *  0.0897% (0.26   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 102  21.11 +/- 0.99   0.000% *  0.2268% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+ 102  21.29 +/- 0.58   0.000% *  0.2392% (0.68   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+ 102  17.97 +/- 0.44   0.000% *  0.0534% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  99  20.87 +/- 0.94   0.000% *  0.1199% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+ 102  20.74 +/- 0.90   0.000% *  0.0818% (0.23   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  38  22.77 +/- 0.42   0.000% *  0.0946% (0.27   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  38  22.80 +/- 0.72   0.000% *  0.0390% (0.11   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  38  24.99 +/- 0.93   0.000% *  0.0613% (0.17   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  38  21.89 +/- 0.29   0.000% *  0.0211% (0.06   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  38  29.37 +/- 0.59   0.000% *  0.0323% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 75.9:
    * O T HB2   GLU- 100 - HA    GLU- 100   3.03 +/- 0.04  97.244% * 98.4204% (1.00   4.26  75.86) =  99.999%  kept
        T HB2   GLU- 100 - HA    LYS+  38   5.83 +/- 0.64   2.470% *  0.0279% (0.06   0.02   0.02) =   0.001%
          HB3   PHE   97 - HA    GLU- 100  11.01 +/- 0.14   0.042% *  0.4140% (0.90   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    GLU- 100   9.83 +/- 0.69   0.095% *  0.1284% (0.28   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    LYS+  38   9.38 +/- 0.61   0.119% *  0.0078% (0.02   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    LYS+  38  11.76 +/- 0.35   0.029% *  0.0250% (0.05   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU- 100  22.89 +/- 0.92   0.001% *  0.2614% (0.57   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU- 100  26.29 +/- 0.23   0.000% *  0.4525% (0.98   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    GLU- 100  28.82 +/- 0.40   0.000% *  0.2070% (0.45   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  38  22.99 +/- 0.80   0.001% *  0.0158% (0.03   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    LYS+  38  26.95 +/- 0.30   0.000% *  0.0273% (0.06   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    LYS+  38  28.12 +/- 0.32   0.000% *  0.0125% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 75.9:
    * O T HB3   GLU- 100 - HA    GLU- 100   2.39 +/- 0.04  97.137% * 96.9116% (1.00   4.26  75.86) =  99.999%  kept
        T HB3   GLU- 100 - HA    LYS+  38   4.98 +/- 0.77   2.839% *  0.0275% (0.06   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    GLU- 100  12.79 +/- 0.63   0.004% *  0.4506% (0.99   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 100  14.88 +/- 0.60   0.002% *  0.4196% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+  38  11.87 +/- 0.76   0.007% *  0.0272% (0.06   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 100  15.80 +/- 1.48   0.001% *  0.1012% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 100  19.82 +/- 0.44   0.000% *  0.2574% (0.57   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LYS+  38  13.79 +/- 0.66   0.003% *  0.0254% (0.06   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU- 100  23.45 +/- 0.26   0.000% *  0.4506% (0.99   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU- 100  22.99 +/- 0.48   0.000% *  0.3943% (0.87   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+  38  13.19 +/- 1.41   0.004% *  0.0061% (0.01   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU- 100  24.31 +/- 0.32   0.000% *  0.2213% (0.49   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 100  21.78 +/- 0.64   0.000% *  0.1012% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+  38  17.38 +/- 0.51   0.001% *  0.0156% (0.03   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU- 100  25.51 +/- 0.40   0.000% *  0.1264% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLU- 100  32.58 +/- 0.42   0.000% *  0.3640% (0.80   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LYS+  38  23.53 +/- 0.29   0.000% *  0.0272% (0.06   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LYS+  38  24.73 +/- 0.68   0.000% *  0.0238% (0.05   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+  38  19.75 +/- 0.41   0.000% *  0.0061% (0.01   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LYS+  38  24.78 +/- 0.33   0.000% *  0.0134% (0.03   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LYS+  38  26.77 +/- 0.35   0.000% *  0.0076% (0.02   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    LYS+  38  32.45 +/- 0.39   0.000% *  0.0220% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 4.73, residual support = 75.9:
    * O T HG2   GLU- 100 - HA    GLU- 100   2.83 +/- 0.19  74.877% * 98.1354% (1.00   4.73  75.86) =  99.991%  kept
        T HG2   GLU- 100 - HA    LYS+  38   3.63 +/- 0.65  25.072% *  0.0251% (0.06   0.02   0.02) =   0.009%
          HB2   MET   96 - HA    GLU- 100  13.46 +/- 0.54   0.007% *  0.3014% (0.73   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU- 100  14.89 +/- 0.19   0.004% *  0.3600% (0.87   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  13.28 +/- 0.74   0.008% *  0.1281% (0.31   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU- 100  15.84 +/- 0.77   0.002% *  0.1558% (0.38   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  11.70 +/- 0.70   0.017% *  0.0077% (0.02   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  19.30 +/- 1.01   0.001% *  0.1035% (0.25   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LYS+  38  14.60 +/- 0.51   0.004% *  0.0182% (0.04   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU- 100  25.09 +/- 0.80   0.000% *  0.4113% (0.99   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  38  16.10 +/- 0.40   0.002% *  0.0218% (0.05   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  20.61 +/- 0.66   0.001% *  0.0727% (0.18   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LYS+  38  14.84 +/- 0.45   0.004% *  0.0094% (0.02   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU- 100  28.71 +/- 0.43   0.000% *  0.2020% (0.49   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  17.27 +/- 1.02   0.002% *  0.0063% (0.02   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  38  25.19 +/- 0.55   0.000% *  0.0249% (0.06   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  20.32 +/- 0.69   0.001% *  0.0044% (0.01   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  38  29.80 +/- 0.43   0.000% *  0.0122% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1198 (3.81, 2.37, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.9:
    * O T HA    GLU- 100 - HB2   GLU- 100   3.03 +/- 0.04  97.521% * 98.7897% (1.00   4.26  75.86) =  99.997%  kept
        T HA    LYS+  38 - HB2   GLU- 100   5.83 +/- 0.64   2.477% *  0.1032% (0.22   0.02   0.02) =   0.003%
          HA    VAL   83 - HB2   GLU- 100  19.98 +/- 0.76   0.001% *  0.4624% (1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB2   GLU- 100  28.81 +/- 0.37   0.000% *  0.4542% (0.98   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLU- 100  28.55 +/- 0.49   0.000% *  0.1905% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 75.9:
    * O T HB3   GLU- 100 - HB2   GLU- 100   1.75 +/- 0.00  99.999% * 94.0293% (1.00   2.00  75.86) = 100.000%  kept
          HB2   GLN   30 - HB2   GLU- 100  15.16 +/- 0.62   0.000% *  0.9320% (0.99   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU- 100  17.27 +/- 0.56   0.000% *  0.8680% (0.92   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB2   GLU- 100  17.53 +/- 1.50   0.000% *  0.2093% (0.22   0.02   0.02) =   0.000%
          HB    VAL  108 - HB2   GLU- 100  22.20 +/- 0.84   0.000% *  0.8156% (0.87   0.02   0.02) =   0.000%
          HB    ILE  119 - HB2   GLU- 100  22.73 +/- 0.53   0.000% *  0.9320% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB2   GLU- 100  20.92 +/- 0.44   0.000% *  0.5324% (0.57   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   GLU- 100  24.74 +/- 0.46   0.000% *  0.4577% (0.49   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB2   GLU- 100  23.51 +/- 0.48   0.000% *  0.2093% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU- 100  24.70 +/- 0.66   0.000% *  0.2614% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB2   GLU- 100  33.03 +/- 0.50   0.000% *  0.7529% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.69 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 = 3.25, residual support = 75.9:
    * O T HG2   GLU- 100 - HB2   GLU- 100   3.03 +/- 0.03  99.963% * 97.4907% (1.00   3.25  75.86) = 100.000%  kept
          HB2   ASP- 105 - HB2   GLU- 100  13.82 +/- 0.69   0.012% *  0.5207% (0.87   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   GLU- 100  13.93 +/- 0.51   0.011% *  0.4359% (0.73   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   GLU- 100  14.17 +/- 0.64   0.010% *  0.1853% (0.31   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU- 100  18.50 +/- 0.72   0.002% *  0.2253% (0.38   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   GLU- 100  20.89 +/- 0.92   0.001% *  0.1497% (0.25   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLU- 100  26.49 +/- 0.53   0.000% *  0.5950% (0.99   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   GLU- 100  22.99 +/- 0.59   0.001% *  0.1051% (0.18   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU- 100  28.80 +/- 0.54   0.000% *  0.2922% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1202 (3.81, 2.04, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.9:
    * O T HA    GLU- 100 - HB3   GLU- 100   2.39 +/- 0.04  97.161% * 98.7897% (1.00   4.26  75.86) =  99.997%  kept
        T HA    LYS+  38 - HB3   GLU- 100   4.98 +/- 0.77   2.839% *  0.1032% (0.22   0.02   0.02) =   0.003%
          HA    VAL   83 - HB3   GLU- 100  20.47 +/- 0.69   0.000% *  0.4624% (1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB3   GLU- 100  29.84 +/- 0.27   0.000% *  0.4542% (0.98   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLU- 100  29.50 +/- 0.30   0.000% *  0.1905% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 75.9:
    * O T HB2   GLU- 100 - HB3   GLU- 100   1.75 +/- 0.00  99.997% * 96.9278% (1.00   2.00  75.86) = 100.000%  kept
          HB3   PHE   97 - HB3   GLU- 100  11.97 +/- 0.26   0.001% *  0.8693% (0.90   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU- 100  11.38 +/- 0.95   0.002% *  0.2695% (0.28   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU- 100  26.80 +/- 0.45   0.000% *  0.9501% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB3   GLU- 100  24.74 +/- 0.96   0.000% *  0.5488% (0.57   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU- 100  30.15 +/- 0.31   0.000% *  0.4346% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.70 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 = 3.25, residual support = 75.9:
    * O T HG2   GLU- 100 - HB3   GLU- 100   2.44 +/- 0.10  99.993% * 97.4907% (1.00   3.25  75.86) = 100.000%  kept
          HB2   ASP- 105 - HB3   GLU- 100  15.33 +/- 0.45   0.002% *  0.5207% (0.87   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU- 100  14.97 +/- 0.38   0.002% *  0.4359% (0.73   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB3   GLU- 100  14.68 +/- 0.80   0.002% *  0.1853% (0.31   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLU- 100  17.95 +/- 0.95   0.001% *  0.2253% (0.38   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB3   GLU- 100  20.97 +/- 1.05   0.000% *  0.1497% (0.25   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLU- 100  27.07 +/- 0.78   0.000% *  0.5950% (0.99   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLU- 100  22.70 +/- 0.80   0.000% *  0.1051% (0.18   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU- 100  30.04 +/- 0.28   0.000% *  0.2922% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1206 (3.81, 2.23, 38.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.73, residual support = 75.8:
    * O T HA    GLU- 100 - HG2   GLU- 100   2.83 +/- 0.19  74.917% * 98.9076% (1.00   4.73  75.86) =  99.968%  kept
        T HA    LYS+  38 - HG2   GLU- 100   3.63 +/- 0.65  25.083% *  0.0931% (0.22   0.02   0.02) =   0.032%
          HA    VAL   83 - HG2   GLU- 100  21.18 +/- 0.66   0.000% *  0.4174% (1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLU- 100  28.61 +/- 0.55   0.000% *  0.4100% (0.98   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLU- 100  28.65 +/- 0.60   0.000% *  0.1720% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 3.25, residual support = 75.9:
    * O T HB2   GLU- 100 - HG2   GLU- 100   3.03 +/- 0.03  99.920% * 98.0857% (1.00   3.25  75.86) = 100.000%  kept
          HB3   PHE   97 - HG2   GLU- 100  11.07 +/- 0.36   0.043% *  0.5417% (0.90   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLU- 100  11.69 +/- 0.92   0.035% *  0.1679% (0.28   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG2   GLU- 100  25.87 +/- 0.41   0.000% *  0.5920% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLU- 100  24.64 +/- 1.04   0.000% *  0.3419% (0.57   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU- 100  28.69 +/- 0.54   0.000% *  0.2708% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1208 (2.04, 2.23, 38.95 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.25, residual support = 75.9:
    * O T HB3   GLU- 100 - HG2   GLU- 100   2.44 +/- 0.10  99.993% * 96.2372% (1.00   3.25  75.86) = 100.000%  kept
          HB2   GLN   30 - HG2   GLU- 100  14.47 +/- 0.88   0.003% *  0.5873% (0.99   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   GLU- 100  16.47 +/- 0.79   0.001% *  0.5470% (0.92   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HG2   GLU- 100  15.59 +/- 1.64   0.002% *  0.1319% (0.22   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HG2   GLU- 100  18.99 +/- 0.72   0.000% *  0.3355% (0.57   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLU- 100  22.74 +/- 0.44   0.000% *  0.5873% (0.99   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLU- 100  23.69 +/- 0.57   0.000% *  0.5140% (0.87   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HG2   GLU- 100  22.03 +/- 0.83   0.000% *  0.1319% (0.22   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   GLU- 100  25.21 +/- 0.44   0.000% *  0.2884% (0.49   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU- 100  25.78 +/- 0.56   0.000% *  0.1648% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLU- 100  33.08 +/- 0.63   0.000% *  0.4745% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1209 (2.23, 2.23, 38.95 ppm):
    1 diagonal assignment:
    *     HG2   GLU- 100 - HG2   GLU- 100  (1.00)  kept
 
    Peak 1210 (4.14, 4.14, 45.70 ppm):
    1 diagonal assignment:
    *     HA1   GLY  101 - HA1   GLY  101  (1.00)  kept
 
    Peak 1211 (3.52, 4.14, 45.70 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 15.4:
    * O T HA2   GLY  101 - HA1   GLY  101   1.75 +/- 0.00 100.000% * 99.6261% (1.00   2.00  15.44) = 100.000%  kept
          HA    LEU   63 - HA1   GLY  101  19.65 +/- 0.58   0.000% *  0.3739% (0.38   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1212 (4.14, 3.52, 45.70 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 15.4:
    * O T HA1   GLY  101 - HA2   GLY  101   1.75 +/- 0.00  99.996% * 95.5020% (1.00   2.00  15.44) = 100.000%  kept
          HA    ALA   34 - HA2   GLY  101  10.28 +/- 0.91   0.003% *  0.9034% (0.95   0.02   0.02) =   0.000%
          HA    ASN   28 - HA2   GLY  101  11.79 +/- 1.76   0.001% *  0.7647% (0.80   0.02   0.02) =   0.000%
          HA    THR   26 - HA2   GLY  101  17.55 +/- 1.66   0.000% *  0.6560% (0.69   0.02   0.02) =   0.000%
          HA    LEU  115 - HA2   GLY  101  21.03 +/- 0.45   0.000% *  0.7977% (0.84   0.02   0.02) =   0.000%
          HA    GLU- 114 - HA2   GLY  101  22.58 +/- 0.53   0.000% *  0.9217% (0.97   0.02   0.02) =   0.000%
          HA    ALA  124 - HA2   GLY  101  24.13 +/- 1.40   0.000% *  0.1890% (0.20   0.02   0.02) =   0.000%
          HA    ARG+  54 - HA2   GLY  101  30.21 +/- 0.44   0.000% *  0.2655% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1213 (3.52, 3.52, 45.70 ppm):
    1 diagonal assignment:
    *     HA2   GLY  101 - HA2   GLY  101  (1.00)  kept
 
    Peak 1214 (4.60, 4.60, 54.68 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 102 - HA    LYS+ 102  (1.00)  kept
 
    Peak 1215 (1.81, 4.60, 54.68 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 158.2:
    * O T QB    LYS+ 102 - HA    LYS+ 102   2.35 +/- 0.10  98.118% * 98.3862% (1.00   6.31 158.21) =  99.998%  kept
          HG12  ILE  103 - HA    LYS+ 102   4.65 +/- 0.32   1.834% *  0.1063% (0.34   0.02  22.53) =   0.002%
        T HB    VAL   41 - HA    LYS+ 102   8.79 +/- 1.14   0.046% *  0.1517% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 102  15.37 +/- 0.64   0.001% *  0.3007% (0.97   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 102  18.69 +/- 0.43   0.000% *  0.2141% (0.69   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LYS+ 102  21.81 +/- 0.23   0.000% *  0.3055% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 102  22.06 +/- 0.25   0.000% *  0.2877% (0.92   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 102  24.60 +/- 0.63   0.000% *  0.1517% (0.49   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+ 102  23.10 +/- 0.46   0.000% *  0.0481% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LYS+ 102  26.82 +/- 0.29   0.000% *  0.0481% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 158.2:
    * O T HG2   LYS+ 102 - HA    LYS+ 102   3.26 +/- 0.38  99.854% * 97.7074% (1.00   5.75 158.21) = 100.000%  kept
          HG    LEU   40 - HA    LYS+ 102  10.76 +/- 0.52   0.097% *  0.2721% (0.80   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+ 102  14.75 +/- 1.45   0.017% *  0.3331% (0.98   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+ 102  17.04 +/- 0.81   0.006% *  0.2334% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 102  16.97 +/- 0.54   0.006% *  0.2334% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+ 102  19.26 +/- 0.56   0.003% *  0.2721% (0.80   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    LYS+ 102  20.24 +/- 0.80   0.002% *  0.2948% (0.87   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+ 102  17.74 +/- 0.23   0.004% *  0.0847% (0.25   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 102  19.44 +/- 1.12   0.003% *  0.1159% (0.34   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 102  20.90 +/- 0.19   0.002% *  0.1788% (0.53   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 102  19.59 +/- 0.26   0.002% *  0.1049% (0.31   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 102  20.23 +/- 0.91   0.002% *  0.0847% (0.25   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+ 102  21.01 +/- 0.93   0.002% *  0.0847% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1217 (1.38, 4.60, 54.68 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 158.2:
    * O T HG3   LYS+ 102 - HA    LYS+ 102   3.17 +/- 0.78  79.344% * 96.8530% (1.00   5.05 158.21) =  99.966%  kept
          QB    LEU   98 - HA    LYS+ 102   4.51 +/- 0.31  15.304% *  0.1308% (0.34   0.02   3.07) =   0.026%
          HG    LEU   98 - HA    LYS+ 102   5.75 +/- 0.88   5.040% *  0.1066% (0.28   0.02   3.07) =   0.007%
        T HG3   LYS+ 106 - HA    LYS+ 102   8.92 +/- 0.36   0.261% *  0.3628% (0.95   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    LYS+ 102  13.55 +/- 0.38   0.021% *  0.3759% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 102  16.05 +/- 0.80   0.007% *  0.3827% (1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 102  16.07 +/- 0.58   0.008% *  0.3628% (0.95   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 102  15.71 +/- 0.48   0.009% *  0.1439% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 102  20.45 +/- 0.24   0.002% *  0.1577% (0.41   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 102  24.91 +/- 0.75   0.001% *  0.3759% (0.98   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 102  25.39 +/- 0.28   0.000% *  0.3801% (0.99   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 102  20.03 +/- 0.75   0.002% *  0.0759% (0.20   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 102  25.31 +/- 2.09   0.001% *  0.2326% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 102  21.35 +/- 0.48   0.001% *  0.0592% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.12 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 = 158.2:
    *   T QD    LYS+ 102 - HA    LYS+ 102   2.74 +/- 0.70  99.390% * 97.4737% (1.00   5.05 158.21) =  99.999%  kept
          QD    LYS+  99 - HA    LYS+ 102   8.40 +/- 0.55   0.299% *  0.0859% (0.22   0.02   1.99) =   0.000%
          QD    LYS+ 106 - HA    LYS+ 102   8.80 +/- 0.96   0.230% *  0.0962% (0.25   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    LYS+ 102  11.66 +/- 1.31   0.060% *  0.3091% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 102  15.67 +/- 1.15   0.008% *  0.1587% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 102  15.73 +/- 0.48   0.006% *  0.2031% (0.53   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 102  16.96 +/- 1.18   0.004% *  0.2497% (0.65   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 102  21.93 +/- 0.42   0.001% *  0.3563% (0.92   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 102  23.14 +/- 0.23   0.001% *  0.3651% (0.95   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 102  22.54 +/- 0.46   0.001% *  0.2651% (0.69   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 102  21.83 +/- 0.53   0.001% *  0.2185% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 102  23.37 +/- 0.52   0.001% *  0.2185% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1219 (3.02, 4.60, 54.68 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 158.2:
    *   T QE    LYS+ 102 - HA    LYS+ 102   3.10 +/- 0.32  99.763% * 99.3665% (1.00   5.05 158.21) =  99.999%  kept
        T QE    LYS+  99 - HA    LYS+ 102   8.95 +/- 0.47   0.204% *  0.2703% (0.69   0.02   1.99) =   0.001%
        T QE    LYS+  38 - HA    LYS+ 102  12.25 +/- 1.07   0.033% *  0.3632% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1220 (4.60, 1.81, 34.65 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 158.2:
    * O T HA    LYS+ 102 - QB    LYS+ 102   2.35 +/- 0.10  99.945% * 98.6749% (1.00   6.31 158.21) = 100.000%  kept
        T HA    LYS+ 102 - HB    VAL   41   8.79 +/- 1.14   0.047% *  0.1404% (0.45   0.02   0.02) =   0.000%
          HA    CYS   21 - HB    VAL   41  13.43 +/- 0.93   0.003% *  0.1173% (0.38   0.02   0.02) =   0.000%
          HA    ALA   20 - HB    VAL   41  13.70 +/- 0.90   0.003% *  0.0278% (0.09   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    LYS+ 102  20.08 +/- 0.50   0.000% *  0.2611% (0.84   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    LYS+ 102  18.96 +/- 0.49   0.000% *  0.1521% (0.49   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB    VAL   41  17.73 +/- 0.79   0.001% *  0.0684% (0.22   0.02   0.02) =   0.000%
          HA    ALA   20 - QB    LYS+ 102  20.65 +/- 0.49   0.000% *  0.0619% (0.20   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL   41  21.00 +/- 0.25   0.000% *  0.0630% (0.20   0.02   0.02) =   0.000%
          HA    CYS   50 - QB    LYS+ 102  24.68 +/- 0.39   0.000% *  0.1401% (0.45   0.02   0.02) =   0.000%
          HA    TRP   49 - QB    LYS+ 102  28.60 +/- 0.35   0.000% *  0.2022% (0.65   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL   41  25.22 +/- 0.20   0.000% *  0.0908% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1221 (1.81, 1.81, 34.65 ppm):
    2 diagonal assignments:
    *     QB    LYS+ 102 - QB    LYS+ 102  (1.00)  kept
          HB    VAL   41 - HB    VAL   41  (0.22)  kept
 
    Peak 1222 (1.45, 1.81, 34.65 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 158.2:
    * O T HG2   LYS+ 102 - QB    LYS+ 102   2.33 +/- 0.12  98.699% * 96.2932% (1.00   5.31 158.21) =  99.998%  kept
          HG    LEU   40 - HB    VAL   41   5.71 +/- 0.86   0.693% *  0.1304% (0.36   0.02  18.47) =   0.001%
          HG    LEU   73 - HB    VAL   41   6.55 +/- 1.56   0.512% *  0.1596% (0.44   0.02   0.02) =   0.001%
          HG    LEU   40 - QB    LYS+ 102   9.39 +/- 0.92   0.029% *  0.2902% (0.80   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HB    VAL   41  10.29 +/- 1.54   0.020% *  0.1628% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB    VAL   41  10.59 +/- 0.43   0.012% *  0.1119% (0.31   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB    VAL   41  11.39 +/- 0.79   0.008% *  0.1119% (0.31   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+ 102  14.29 +/- 1.36   0.002% *  0.3552% (0.98   0.02   0.02) =   0.000%
        T HG    LEU   67 - QB    LYS+ 102  14.83 +/- 1.01   0.002% *  0.2490% (0.69   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB    VAL   41  11.56 +/- 1.51   0.010% *  0.0406% (0.11   0.02   0.02) =   0.000%
          HB3   LEU   67 - QB    LYS+ 102  14.91 +/- 0.65   0.002% *  0.2490% (0.69   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB    VAL   41  15.34 +/- 0.63   0.001% *  0.1413% (0.39   0.02   0.02) =   0.000%
        T QG    LYS+  66 - QB    LYS+ 102  17.77 +/- 0.89   0.001% *  0.3144% (0.87   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+ 102  17.60 +/- 0.73   0.001% *  0.2902% (0.80   0.02   0.02) =   0.000%
          QB    ALA  120 - QB    LYS+ 102  15.22 +/- 0.39   0.001% *  0.0904% (0.25   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    VAL   41  15.08 +/- 0.28   0.001% *  0.0857% (0.24   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB    VAL   41  16.40 +/- 0.97   0.001% *  0.1304% (0.36   0.02   0.02) =   0.000%
          HG    LEU   80 - HB    VAL   41  14.36 +/- 0.94   0.002% *  0.0555% (0.15   0.02   0.02) =   0.000%
          QB    ALA   61 - QB    LYS+ 102  19.04 +/- 0.33   0.000% *  0.1907% (0.53   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+ 102  18.27 +/- 0.32   0.000% *  0.1119% (0.31   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+ 102  19.22 +/- 0.97   0.000% *  0.1236% (0.34   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    VAL   41  16.83 +/- 0.45   0.001% *  0.0503% (0.14   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+ 102  18.80 +/- 1.02   0.000% *  0.0904% (0.25   0.02   0.02) =   0.000%
          HG    LEU  115 - QB    LYS+ 102  19.02 +/- 0.85   0.000% *  0.0904% (0.25   0.02   0.02) =   0.000%
          QB    ALA  120 - HB    VAL   41  16.78 +/- 0.63   0.001% *  0.0406% (0.11   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    VAL   41  18.09 +/- 1.10   0.001% *  0.0406% (0.11   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 0.917, support = 4.69, residual support = 145.8:
    * O T HG3   LYS+ 102 - QB    LYS+ 102   2.35 +/- 0.18  53.743% * 84.3592% (1.00   4.75 158.21) =  90.175%  kept
        T QB    LEU   98 - HB    VAL   41   2.80 +/- 1.18  43.658% * 11.3095% (0.15   4.15  32.33) =   9.821%  kept
          HG    LEU   98 - HB    VAL   41   4.59 +/- 0.76   1.652% *  0.0444% (0.12   0.02  32.33) =   0.001%
          QB    LEU   98 - QB    LYS+ 102   5.22 +/- 0.45   0.460% *  0.1212% (0.34   0.02   3.07) =   0.001%
        T HB    VAL   42 - HB    VAL   41   6.35 +/- 0.17   0.145% *  0.1565% (0.44   0.02  23.85) =   0.000%
          HG    LEU   98 - QB    LYS+ 102   6.43 +/- 0.84   0.177% *  0.0988% (0.28   0.02   3.07) =   0.000%
          HB3   LEU   73 - HB    VAL   41   8.20 +/- 1.00   0.074% *  0.1593% (0.45   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QB    LYS+ 102   8.65 +/- 0.55   0.030% *  0.3362% (0.95   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB    VAL   41   9.64 +/- 1.24   0.037% *  0.1510% (0.43   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB    VAL   41  10.38 +/- 1.33   0.008% *  0.1510% (0.43   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB    VAL   41  10.85 +/- 1.20   0.006% *  0.1597% (0.45   0.02   0.02) =   0.000%
        T HB    VAL   42 - QB    LYS+ 102  12.53 +/- 0.56   0.002% *  0.3483% (0.98   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 102  14.80 +/- 0.91   0.001% *  0.3362% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 102  15.59 +/- 0.71   0.001% *  0.3546% (1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB    VAL   41  12.99 +/- 0.35   0.002% *  0.0599% (0.17   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+ 102  15.62 +/- 0.46   0.001% *  0.1334% (0.38   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB    VAL   41  17.48 +/- 0.91   0.000% *  0.1565% (0.44   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    VAL   41  13.63 +/- 0.73   0.002% *  0.0246% (0.07   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB    VAL   41  16.23 +/- 0.43   0.000% *  0.0656% (0.18   0.02   0.02) =   0.000%
          QB    ALA   12 - HB    VAL   41  18.79 +/- 1.86   0.000% *  0.0968% (0.27   0.02   0.02) =   0.000%
          QB    ALA  124 - QB    LYS+ 102  16.85 +/- 0.77   0.000% *  0.0703% (0.20   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 102  22.34 +/- 0.85   0.000% *  0.3483% (0.98   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 102  19.32 +/- 0.36   0.000% *  0.1461% (0.41   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QB    LYS+ 102  23.05 +/- 0.46   0.000% *  0.3522% (0.99   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 102  22.67 +/- 2.15   0.000% *  0.2155% (0.61   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HB    VAL   41  23.19 +/- 0.66   0.000% *  0.1583% (0.45   0.02   0.02) =   0.000%
          QB    ALA  124 - HB    VAL   41  18.00 +/- 0.67   0.000% *  0.0316% (0.09   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 102  20.33 +/- 0.49   0.000% *  0.0548% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 158.2:
    * O T QD    LYS+ 102 - QB    LYS+ 102   2.33 +/- 0.33  99.136% * 95.9829% (1.00   4.75 158.21) =  99.999%  kept
          QD    LYS+  99 - QB    LYS+ 102   6.38 +/- 0.90   0.415% *  0.0900% (0.22   0.02   1.99) =   0.000%
        T QD    LYS+  38 - QB    LYS+ 102   9.54 +/- 1.57   0.041% *  0.3238% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    VAL   41   7.94 +/- 1.10   0.095% *  0.0747% (0.18   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB    VAL   41   7.36 +/- 0.84   0.167% *  0.0404% (0.10   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QB    LYS+ 102   8.62 +/- 0.86   0.058% *  0.1008% (0.25   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB    VAL   41  10.13 +/- 1.38   0.031% *  0.1817% (0.45   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB    VAL   41  10.85 +/- 0.40   0.013% *  0.1455% (0.36   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB    VAL   41  10.57 +/- 1.53   0.027% *  0.0453% (0.11   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+ 102  13.44 +/- 0.56   0.003% *  0.2127% (0.53   0.02   0.02) =   0.000%
          HB    VAL   83 - HB    VAL   41  13.33 +/- 0.74   0.004% *  0.1175% (0.29   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 102  15.26 +/- 1.03   0.002% *  0.1662% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB    VAL   41  14.28 +/- 0.96   0.003% *  0.0956% (0.24   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+ 102  17.13 +/- 1.00   0.001% *  0.2616% (0.65   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+ 102  18.71 +/- 0.49   0.000% *  0.3732% (0.92   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB    VAL   41  16.75 +/- 0.89   0.001% *  0.1029% (0.25   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HB    VAL   41  18.93 +/- 0.37   0.000% *  0.1719% (0.43   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+ 102  21.74 +/- 0.38   0.000% *  0.3825% (0.95   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 102  20.66 +/- 0.73   0.000% *  0.2777% (0.69   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HB    VAL   41  19.78 +/- 0.74   0.000% *  0.1677% (0.41   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 102  20.76 +/- 0.62   0.000% *  0.2289% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QB    LYS+ 102  20.91 +/- 0.52   0.000% *  0.2289% (0.57   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    VAL   41  19.23 +/- 0.68   0.000% *  0.1029% (0.25   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB    VAL   41  22.09 +/- 0.86   0.000% *  0.1248% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 1.0, support = 4.75, residual support = 158.2:
    *   T QE    LYS+ 102 - QB    LYS+ 102   2.65 +/- 0.38  98.935% * 98.8414% (1.00   4.75 158.21) =  99.998%  kept
        T QE    LYS+  99 - QB    LYS+ 102   7.04 +/- 0.66   0.524% *  0.2860% (0.69   0.02   1.99) =   0.002%
        T QE    LYS+  99 - HB    VAL   41   6.86 +/- 0.50   0.438% *  0.1285% (0.31   0.02   0.02) =   0.001%
        T QE    LYS+  38 - QB    LYS+ 102  10.14 +/- 1.25   0.050% *  0.3844% (0.92   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HB    VAL   41  10.73 +/- 0.95   0.037% *  0.1871% (0.45   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HB    VAL   41  11.83 +/- 0.42   0.016% *  0.1727% (0.41   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1226 (4.60, 1.45, 25.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 158.2:
    * O T HA    LYS+ 102 - HG2   LYS+ 102   3.26 +/- 0.38  99.996% * 99.0987% (1.00   5.75 158.21) = 100.000%  kept
          HA    CYS   21 - HG2   LYS+ 102  22.85 +/- 0.79   0.001% *  0.2879% (0.84   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG2   LYS+ 102  21.85 +/- 1.48   0.001% *  0.1678% (0.49   0.02   0.02) =   0.000%
          HA    ALA   20 - HG2   LYS+ 102  23.59 +/- 0.87   0.001% *  0.0682% (0.20   0.02   0.02) =   0.000%
          HA    CYS   50 - HG2   LYS+ 102  28.24 +/- 1.31   0.000% *  0.1545% (0.45   0.02   0.02) =   0.000%
          HA    TRP   49 - HG2   LYS+ 102  32.60 +/- 1.16   0.000% *  0.2230% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1227 (1.81, 1.45, 25.01 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 158.2:
    * O T QB    LYS+ 102 - HG2   LYS+ 102   2.33 +/- 0.12  99.784% * 98.0882% (1.00   5.31 158.21) = 100.000%  kept
          HG12  ILE  103 - HG2   LYS+ 102   7.18 +/- 0.92   0.194% *  0.1259% (0.34   0.02  22.53) =   0.000%
        T HB    VAL   41 - HG2   LYS+ 102  10.29 +/- 1.54   0.021% *  0.1797% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG2   LYS+ 102  16.32 +/- 0.86   0.001% *  0.3563% (0.97   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HG2   LYS+ 102  18.95 +/- 1.41   0.000% *  0.2536% (0.69   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG2   LYS+ 102  22.38 +/- 1.22   0.000% *  0.3619% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+ 102  23.84 +/- 1.55   0.000% *  0.3408% (0.92   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 102  25.58 +/- 1.14   0.000% *  0.1797% (0.49   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 102  22.99 +/- 1.89   0.000% *  0.0570% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG2   LYS+ 102  28.67 +/- 1.51   0.000% *  0.0570% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1228 (1.45, 1.45, 25.01 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 102 - HG2   LYS+ 102  (1.00)  kept
 
    Peak 1229 (1.38, 1.45, 25.01 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 158.2:
    * O T HG3   LYS+ 102 - HG2   LYS+ 102   1.75 +/- 0.00  99.920% * 96.4109% (1.00   4.41 158.21) = 100.000%  kept
          QB    LEU   98 - HG2   LYS+ 102   6.35 +/- 0.67   0.054% *  0.1492% (0.34   0.02   3.07) =   0.000%
          HG    LEU   98 - HG2   LYS+ 102   7.88 +/- 1.39   0.020% *  0.1216% (0.28   0.02   3.07) =   0.000%
        T HG3   LYS+ 106 - HG2   LYS+ 102  10.31 +/- 1.76   0.005% *  0.4138% (0.95   0.02   0.02) =   0.000%
          HB    VAL   42 - HG2   LYS+ 102  14.66 +/- 1.32   0.000% *  0.4287% (0.98   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HG2   LYS+ 102  16.80 +/- 1.01   0.000% *  0.4138% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 102  17.90 +/- 1.01   0.000% *  0.4364% (1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 102  17.83 +/- 0.70   0.000% *  0.1642% (0.38   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 102  19.42 +/- 1.68   0.000% *  0.0866% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+ 102  22.28 +/- 1.49   0.000% *  0.1798% (0.41   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HG2   LYS+ 102  25.66 +/- 1.40   0.000% *  0.4287% (0.98   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG2   LYS+ 102  26.51 +/- 1.87   0.000% *  0.4335% (0.99   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 102  25.68 +/- 2.35   0.000% *  0.2653% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG2   LYS+ 102  23.25 +/- 0.93   0.000% *  0.0675% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1230 (1.68, 1.45, 25.01 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 158.2:
    * O T QD    LYS+ 102 - HG2   LYS+ 102   2.21 +/- 0.08  99.897% * 97.1162% (1.00   4.41 158.21) = 100.000%  kept
          QD    LYS+  99 - HG2   LYS+ 102   7.78 +/- 1.06   0.068% *  0.0981% (0.22   0.02   1.99) =   0.000%
          QD    LYS+  38 - HG2   LYS+ 102  10.82 +/- 1.95   0.016% *  0.3528% (0.80   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   LYS+ 102  10.22 +/- 1.59   0.017% *  0.1099% (0.25   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 102  15.72 +/- 1.97   0.001% *  0.2318% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 102  17.56 +/- 1.23   0.000% *  0.1811% (0.41   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 102  19.48 +/- 1.29   0.000% *  0.2850% (0.65   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 102  21.62 +/- 2.00   0.000% *  0.4067% (0.92   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+ 102  23.80 +/- 1.73   0.000% *  0.3026% (0.69   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 102  24.98 +/- 1.49   0.000% *  0.4168% (0.95   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 102  23.85 +/- 1.46   0.000% *  0.2494% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 102  23.98 +/- 1.18   0.000% *  0.2494% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1231 (3.02, 1.45, 25.01 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 158.2:
    * O T QE    LYS+ 102 - HG2   LYS+ 102   3.22 +/- 0.29  99.539% * 99.2749% (1.00   4.41 158.21) =  99.998%  kept
        T QE    LYS+  99 - HG2   LYS+ 102   8.59 +/- 0.79   0.360% *  0.3094% (0.69   0.02   1.99) =   0.001%
        T QE    LYS+  38 - HG2   LYS+ 102  11.42 +/- 1.62   0.101% *  0.4158% (0.92   0.02   0.02) =   0.000%
    Distance limit 5.23 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 = 158.2:
    * O T HA    LYS+ 102 - HG3   LYS+ 102   3.17 +/- 0.78  99.410% * 96.9250% (1.00   5.05 158.21) = 100.000%  kept
        T HA    LYS+ 102 - HG3   LYS+ 106   8.92 +/- 0.36   0.390% *  0.0699% (0.18   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  33  12.66 +/- 1.27   0.045% *  0.1593% (0.41   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 106  12.11 +/- 0.62   0.064% *  0.0340% (0.09   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  33  16.07 +/- 0.58   0.011% *  0.1907% (0.50   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  65  14.10 +/- 1.15   0.026% *  0.0618% (0.16   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  65  18.00 +/- 1.10   0.006% *  0.2609% (0.68   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  33  14.13 +/- 0.88   0.023% *  0.0377% (0.10   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  65  18.27 +/- 1.13   0.005% *  0.1400% (0.36   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  65  20.58 +/- 0.93   0.003% *  0.1520% (0.40   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 102  22.06 +/- 0.68   0.002% *  0.1868% (0.49   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 102  23.31 +/- 1.04   0.001% *  0.3206% (0.84   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  65  22.42 +/- 1.16   0.001% *  0.2021% (0.53   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  65  24.91 +/- 0.75   0.001% *  0.3123% (0.81   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 106  20.36 +/- 0.98   0.003% *  0.0584% (0.15   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 106  19.69 +/- 0.95   0.003% *  0.0314% (0.08   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 102  24.11 +/- 0.88   0.001% *  0.0760% (0.20   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 102  28.60 +/- 0.46   0.000% *  0.1721% (0.45   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  33  25.79 +/- 0.52   0.001% *  0.0928% (0.24   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  33  26.33 +/- 0.75   0.001% *  0.0855% (0.22   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 106  19.78 +/- 0.89   0.003% *  0.0138% (0.04   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 106  24.31 +/- 0.95   0.001% *  0.0452% (0.12   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 102  32.92 +/- 0.50   0.000% *  0.2483% (0.65   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  33  29.73 +/- 0.96   0.000% *  0.1233% (0.32   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1233 (1.81, 1.38, 25.01 ppm):
    40 chemical-shift based assignments, quality = 0.909, support = 5.13, residual support = 159.6:
    * O T QB    LYS+ 102 - HG3   LYS+ 102   2.35 +/- 0.18  52.924% * 50.0841% (1.00   4.75 158.21) =  54.886%  kept
      O   QB    LYS+  65 - HG3   LYS+  65   2.40 +/- 0.18  46.309% * 47.0458% (0.80   5.59 161.19) =  45.113%  kept
          QB    LYS+  66 - HG3   LYS+  65   6.51 +/- 0.54   0.148% *  0.1179% (0.56   0.02  26.31) =   0.000%
          HB2   LEU   71 - HG3   LYS+  33   6.84 +/- 0.73   0.095% *  0.1011% (0.48   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  65   7.82 +/- 1.19   0.066% *  0.0836% (0.40   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 102   7.34 +/- 0.63   0.071% *  0.0720% (0.34   0.02  22.53) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 106   5.68 +/- 0.49   0.314% *  0.0131% (0.06   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+  33   9.64 +/- 1.24   0.020% *  0.0510% (0.24   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+ 106   8.65 +/- 0.55   0.024% *  0.0384% (0.18   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 102  10.85 +/- 1.20   0.007% *  0.1027% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+  65  13.51 +/- 0.82   0.002% *  0.1657% (0.79   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 106  10.38 +/- 1.33   0.010% *  0.0187% (0.09   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  33  14.80 +/- 0.91   0.001% *  0.1048% (0.50   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 102  16.96 +/- 0.95   0.000% *  0.2036% (0.97   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  65  17.41 +/- 1.11   0.000% *  0.1585% (0.75   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  33  14.72 +/- 0.88   0.001% *  0.0510% (0.24   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 106  14.30 +/- 0.71   0.001% *  0.0355% (0.17   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+  65  17.48 +/- 0.91   0.000% *  0.0836% (0.40   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+  33  18.14 +/- 0.76   0.000% *  0.1027% (0.49   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  14.79 +/- 1.25   0.001% *  0.0265% (0.13   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 102  19.51 +/- 0.93   0.000% *  0.1449% (0.69   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 106  14.88 +/- 0.56   0.001% *  0.0264% (0.13   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 106  16.21 +/- 0.95   0.001% *  0.0371% (0.18   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  33  17.80 +/- 0.79   0.000% *  0.0720% (0.34   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  33  16.25 +/- 0.92   0.001% *  0.0357% (0.17   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  65  22.34 +/- 0.85   0.000% *  0.1717% (0.81   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 102  22.96 +/- 0.70   0.000% *  0.2068% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 106  18.00 +/- 0.60   0.000% *  0.0377% (0.18   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 102  24.16 +/- 0.67   0.000% *  0.1948% (0.92   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  65  22.50 +/- 0.91   0.000% *  0.0586% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  20.64 +/- 1.07   0.000% *  0.0265% (0.13   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  33  25.63 +/- 0.58   0.000% *  0.0967% (0.46   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 102  26.25 +/- 0.96   0.000% *  0.1027% (0.49   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  17.48 +/- 0.50   0.000% *  0.0059% (0.03   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  23.45 +/- 1.43   0.000% *  0.0326% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 106  22.83 +/- 0.96   0.000% *  0.0187% (0.09   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  18.96 +/- 0.63   0.000% *  0.0059% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  28.95 +/- 0.66   0.000% *  0.0326% (0.15   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  26.67 +/- 1.40   0.000% *  0.0162% (0.08   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  30.13 +/- 0.56   0.000% *  0.0162% (0.08   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1234 (1.45, 1.38, 25.01 ppm):
    52 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 158.2:
    * O T HG2   LYS+ 102 - HG3   LYS+ 102   1.75 +/- 0.00  99.303% * 92.3299% (1.00   4.41 158.21) =  99.998%  kept
          QB    ALA   61 - HG3   LYS+  65   4.64 +/- 0.90   0.482% *  0.1793% (0.43   0.02   0.02) =   0.001%
          QG    LYS+  66 - HG3   LYS+  65   6.09 +/- 1.12   0.173% *  0.2957% (0.71   0.02  26.31) =   0.001%
          HB3   LEU   67 - HG3   LYS+  65   8.91 +/- 0.83   0.007% *  0.2342% (0.56   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  65   9.47 +/- 1.24   0.006% *  0.2342% (0.56   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  33   9.17 +/- 0.76   0.006% *  0.2040% (0.49   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 102  11.88 +/- 1.07   0.001% *  0.3354% (0.80   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+ 106  10.31 +/- 1.76   0.005% *  0.0763% (0.18   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  33   9.25 +/- 0.90   0.006% *  0.0519% (0.12   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  33  12.20 +/- 0.99   0.001% *  0.1666% (0.40   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 106  10.58 +/- 0.33   0.002% *  0.0611% (0.15   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 106  11.12 +/- 0.68   0.002% *  0.0611% (0.15   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  65  15.04 +/- 1.15   0.000% *  0.3341% (0.80   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  65  14.82 +/- 1.08   0.000% *  0.2730% (0.65   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  65  15.28 +/- 1.08   0.000% *  0.2730% (0.65   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  65  12.80 +/- 0.94   0.001% *  0.0850% (0.20   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 102  17.01 +/- 1.65   0.000% *  0.4106% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  33  14.47 +/- 1.16   0.000% *  0.1429% (0.34   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 106  14.42 +/- 1.57   0.000% *  0.0748% (0.18   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  33  16.80 +/- 1.01   0.000% *  0.2081% (0.50   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  33  16.01 +/- 1.28   0.000% *  0.1429% (0.34   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 102  17.94 +/- 1.17   0.000% *  0.2877% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 102  18.03 +/- 1.03   0.000% *  0.2877% (0.69   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  65  14.86 +/- 0.78   0.000% *  0.0850% (0.20   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  65  15.35 +/- 0.70   0.000% *  0.1052% (0.25   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  65  15.30 +/- 0.88   0.000% *  0.0850% (0.20   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 106  14.27 +/- 0.60   0.000% *  0.0524% (0.13   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 106  14.69 +/- 0.61   0.000% *  0.0524% (0.13   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 106  12.82 +/- 0.39   0.001% *  0.0236% (0.06   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 106  12.64 +/- 0.44   0.001% *  0.0190% (0.05   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  33  16.51 +/- 1.63   0.000% *  0.0710% (0.17   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 102  20.76 +/- 0.86   0.000% *  0.3354% (0.80   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 102  21.08 +/- 1.01   0.000% *  0.3633% (0.87   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 106  12.94 +/- 0.65   0.001% *  0.0190% (0.05   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 106  16.11 +/- 0.67   0.000% *  0.0662% (0.16   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+  33  19.18 +/- 0.86   0.000% *  0.1805% (0.43   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 102  17.91 +/- 1.21   0.000% *  0.1044% (0.25   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+  33  18.21 +/- 0.51   0.000% *  0.1095% (0.26   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 106  16.33 +/- 0.61   0.000% *  0.0402% (0.10   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 102  22.35 +/- 0.58   0.000% *  0.2204% (0.53   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 102  21.25 +/- 0.64   0.000% *  0.1293% (0.31   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 102  22.09 +/- 1.61   0.000% *  0.1429% (0.34   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  65  25.66 +/- 1.40   0.000% *  0.3409% (0.81   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  65  22.42 +/- 1.79   0.000% *  0.1163% (0.28   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 102  22.11 +/- 1.36   0.000% *  0.1044% (0.25   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 102  22.39 +/- 1.37   0.000% *  0.1044% (0.25   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  33  24.45 +/- 0.69   0.000% *  0.1666% (0.40   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 106  18.46 +/- 1.40   0.000% *  0.0260% (0.06   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  33  23.07 +/- 0.41   0.000% *  0.0642% (0.15   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  33  22.92 +/- 0.82   0.000% *  0.0519% (0.12   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 106  20.06 +/- 1.16   0.000% *  0.0190% (0.05   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  33  25.94 +/- 1.37   0.000% *  0.0519% (0.12   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 = 0.759, support = 4.13, residual support = 157.9:
    * O T QD    LYS+ 102 - HG3   LYS+ 102   2.49 +/- 0.09  25.712% * 61.2782% (1.00   4.00 158.21) =  59.428%  kept
      O T QD    LYS+  65 - HG3   LYS+  65   2.42 +/- 0.15  31.015% * 30.1994% (0.46   4.28 161.19) =  35.328%  kept
      O   QD    LYS+ 106 - HG3   LYS+ 106   2.29 +/- 0.16  43.162% *  3.2213% (0.05   4.63 131.61) =   5.244%  kept
        T QD    LYS+ 102 - HG3   LYS+ 106   8.73 +/- 1.72   0.037% *  0.0558% (0.18   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  33   9.44 +/- 1.50   0.015% *  0.1219% (0.40   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 102   8.37 +/- 1.17   0.024% *  0.0682% (0.22   0.02   1.99) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 102  11.29 +/- 1.82   0.005% *  0.2453% (0.80   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 102  10.26 +/- 1.10   0.006% *  0.0764% (0.25   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  33  11.08 +/- 0.83   0.004% *  0.0626% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 106  10.39 +/- 0.43   0.005% *  0.0294% (0.10   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  33  11.75 +/- 1.53   0.003% *  0.0339% (0.11   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  65  15.75 +/- 1.09   0.000% *  0.2302% (0.75   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 102  16.17 +/- 1.42   0.000% *  0.1612% (0.53   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  65  17.20 +/- 1.12   0.000% *  0.2359% (0.77   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  65  15.01 +/- 1.17   0.001% *  0.1025% (0.33   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  65  15.93 +/- 0.84   0.000% *  0.1312% (0.43   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  33  16.33 +/- 0.83   0.000% *  0.1522% (0.50   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 106  10.99 +/- 0.39   0.004% *  0.0124% (0.04   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 106  13.81 +/- 0.37   0.001% *  0.0383% (0.13   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  33  16.96 +/- 1.45   0.000% *  0.0985% (0.32   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 102  19.67 +/- 1.61   0.000% *  0.1982% (0.65   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 102  18.06 +/- 1.39   0.000% *  0.1260% (0.41   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 106  14.29 +/- 0.93   0.001% *  0.0316% (0.10   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 106  15.67 +/- 0.75   0.000% *  0.0528% (0.17   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 106  14.38 +/- 1.19   0.001% *  0.0229% (0.07   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 102  22.08 +/- 1.59   0.000% *  0.2828% (0.92   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  33  18.37 +/- 0.88   0.000% *  0.0862% (0.28   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  65  17.08 +/- 0.77   0.000% *  0.0555% (0.18   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 106  16.86 +/- 0.47   0.000% *  0.0515% (0.17   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 106  16.25 +/- 1.16   0.000% *  0.0361% (0.12   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  65  21.48 +/- 0.77   0.000% *  0.1997% (0.65   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 106  17.29 +/- 0.98   0.000% *  0.0447% (0.15   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  65  21.13 +/- 0.93   0.000% *  0.1412% (0.46   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  65  23.83 +/- 1.02   0.000% *  0.2493% (0.81   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 102  23.94 +/- 1.06   0.000% *  0.2105% (0.69   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  65  23.09 +/- 0.72   0.000% *  0.1713% (0.56   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 102  25.32 +/- 0.61   0.000% *  0.2898% (0.95   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  65  19.87 +/- 1.13   0.000% *  0.0622% (0.20   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  65  23.75 +/- 1.42   0.000% *  0.1613% (0.53   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 102  24.06 +/- 0.80   0.000% *  0.1735% (0.57   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  33  18.90 +/- 1.27   0.000% *  0.0380% (0.12   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 102  24.57 +/- 0.76   0.000% *  0.1735% (0.57   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  33  21.95 +/- 1.27   0.000% *  0.0801% (0.26   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 106  19.87 +/- 1.00   0.000% *  0.0316% (0.10   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  33  25.75 +/- 0.63   0.000% *  0.1440% (0.47   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  33  26.09 +/- 1.25   0.000% *  0.1405% (0.46   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  33  26.84 +/- 0.58   0.000% *  0.0862% (0.28   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  33  30.94 +/- 0.43   0.000% *  0.1045% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1237 (3.02, 1.38, 25.01 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 158.2:
    * O T QE    LYS+ 102 - HG3   LYS+ 102   2.26 +/- 0.24  99.881% * 97.3207% (1.00   4.00 158.21) = 100.000%  kept
        T QE    LYS+  99 - HG3   LYS+ 102   9.17 +/- 0.66   0.026% *  0.3343% (0.69   0.02   1.99) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  33   9.96 +/- 1.20   0.022% *  0.2231% (0.46   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+ 102  11.82 +/- 1.54   0.010% *  0.4492% (0.92   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+ 106   9.21 +/- 0.92   0.033% *  0.0887% (0.18   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  33  11.38 +/- 1.65   0.014% *  0.1660% (0.34   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+ 106  10.87 +/- 0.87   0.012% *  0.0609% (0.13   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  33  16.83 +/- 0.93   0.001% *  0.2417% (0.50   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  65  15.93 +/- 0.78   0.001% *  0.2720% (0.56   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  65  22.74 +/- 1.06   0.000% *  0.3655% (0.75   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+ 106  18.26 +/- 0.82   0.000% *  0.0818% (0.17   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  65  24.61 +/- 0.70   0.000% *  0.3960% (0.81   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 158.2:
    *   T HA    LYS+ 102 - QD    LYS+ 102   2.74 +/- 0.70  99.685% * 98.2592% (1.00   5.05 158.21) = 100.000%  kept
          HA1   GLY  109 - HD2   LYS+ 111   8.34 +/- 0.21   0.273% *  0.0495% (0.13   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+  65  13.46 +/- 0.94   0.018% *  0.0195% (0.05   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+  65  16.98 +/- 0.89   0.004% *  0.0821% (0.21   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+ 102  21.05 +/- 0.83   0.001% *  0.3250% (0.84   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+ 102  19.04 +/- 1.51   0.001% *  0.1894% (0.49   0.02   0.02) =   0.000%
          HA    CYS   50 - HD2   LYS+ 111  16.10 +/- 0.35   0.005% *  0.0456% (0.12   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+  65  17.09 +/- 1.17   0.005% *  0.0441% (0.11   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+  65  19.42 +/- 1.04   0.002% *  0.0479% (0.12   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+  65  20.68 +/- 1.23   0.001% *  0.0636% (0.16   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   LYS+ 111  20.19 +/- 0.33   0.001% *  0.0658% (0.17   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HD2   LYS+ 111  22.54 +/- 0.46   0.001% *  0.1017% (0.26   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - QD    LYS+  65  23.37 +/- 0.52   0.001% *  0.0983% (0.25   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+ 102  21.75 +/- 0.91   0.001% *  0.0770% (0.20   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+ 102  25.16 +/- 1.39   0.000% *  0.1744% (0.45   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+ 102  28.99 +/- 1.36   0.000% *  0.2517% (0.65   0.02   0.02) =   0.000%
          HA    CYS   21 - HD2   LYS+ 111  27.05 +/- 0.32   0.000% *  0.0850% (0.22   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   LYS+ 111  24.92 +/- 0.37   0.000% *  0.0201% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.74 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 = 0.793, support = 4.84, residual support = 159.0:
    * O T QB    LYS+ 102 - QD    LYS+ 102   2.33 +/- 0.33  40.838% * 77.0045% (1.00   4.75 158.21) =  72.476%  kept
      O T QB    LYS+  65 - QD    LYS+  65   2.15 +/- 0.18  58.639% * 20.3656% (0.25   5.07 161.19) =  27.523%  kept
          HG12  ILE  103 - QD    LYS+ 102   6.02 +/- 1.14   0.342% *  0.1106% (0.34   0.02  22.53) =   0.001%
          QB    LYS+  66 - QD    LYS+  65   6.38 +/- 0.28   0.085% *  0.0563% (0.17   0.02  26.31) =   0.000%
          HB3   GLN   17 - QD    LYS+  65   7.29 +/- 1.16   0.072% *  0.0399% (0.12   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102  10.13 +/- 1.38   0.008% *  0.1579% (0.49   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD2   LYS+ 111   9.50 +/- 0.25   0.008% *  0.0783% (0.24   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  15.80 +/- 0.65   0.000% *  0.3130% (0.97   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.01 +/- 0.63   0.001% *  0.0791% (0.24   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  17.68 +/- 0.99   0.000% *  0.2228% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 111  11.03 +/- 0.28   0.003% *  0.0131% (0.04   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  20.78 +/- 0.88   0.000% *  0.3180% (0.98   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  21.10 +/- 1.53   0.000% *  0.2994% (0.92   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  16.47 +/- 0.97   0.000% *  0.0757% (0.23   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  65  13.51 +/- 1.17   0.001% *  0.0127% (0.04   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  17.55 +/- 0.53   0.000% *  0.0583% (0.18   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  16.75 +/- 0.89   0.000% *  0.0399% (0.12   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.60 +/- 0.44   0.000% *  0.0831% (0.26   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  20.66 +/- 0.73   0.000% *  0.0848% (0.26   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  20.91 +/- 0.52   0.000% *  0.0820% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  23.94 +/- 0.85   0.000% *  0.1579% (0.49   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+ 102  20.98 +/- 1.35   0.000% *  0.0500% (0.15   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  18.84 +/- 0.55   0.000% *  0.0289% (0.09   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   LYS+ 111  17.21 +/- 0.99   0.000% *  0.0131% (0.04   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  22.09 +/- 0.86   0.000% *  0.0413% (0.13   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  21.28 +/- 0.99   0.000% *  0.0280% (0.09   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  25.68 +/- 0.65   0.000% *  0.0818% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  65  19.17 +/- 0.93   0.000% *  0.0127% (0.04   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+ 102  25.30 +/- 1.50   0.000% *  0.0500% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  27.75 +/- 0.55   0.000% *  0.0413% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1240 (1.45, 1.68, 29.29 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 158.2:
    * O T HG2   LYS+ 102 - QD    LYS+ 102   2.21 +/- 0.08  95.156% * 95.3579% (1.00   4.41 158.21) =  99.997%  kept
          QB    ALA   61 - QD    LYS+  65   4.61 +/- 0.83   4.063% *  0.0575% (0.13   0.02   0.02) =   0.003%
          QG    LYS+  66 - QD    LYS+  65   5.69 +/- 0.89   0.490% *  0.0948% (0.22   0.02  26.31) =   0.001%
          QB    ALA  110 - HD2   LYS+ 111   6.70 +/- 0.06   0.122% *  0.0349% (0.08   0.02   9.12) =   0.000%
          HB3   LEU  115 - HD2   LYS+ 111   8.10 +/- 0.71   0.046% *  0.0906% (0.21   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+ 102  11.12 +/- 0.92   0.007% *  0.3464% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+  65   8.91 +/- 0.71   0.025% *  0.0751% (0.17   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  65   9.34 +/- 0.85   0.021% *  0.0751% (0.17   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+ 111   8.23 +/- 1.08   0.048% *  0.0282% (0.07   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+ 102  15.51 +/- 1.42   0.001% *  0.4241% (0.98   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+ 102  16.45 +/- 1.03   0.001% *  0.2972% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+ 102  16.58 +/- 0.98   0.001% *  0.2972% (0.69   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  65  14.54 +/- 0.85   0.001% *  0.1072% (0.25   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  65  14.30 +/- 0.71   0.001% *  0.0876% (0.20   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+ 102  18.15 +/- 1.41   0.000% *  0.3464% (0.80   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  65  14.59 +/- 0.97   0.001% *  0.0876% (0.20   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  65  12.20 +/- 0.69   0.004% *  0.0273% (0.06   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+ 111  12.21 +/- 0.48   0.003% *  0.0282% (0.07   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD    LYS+ 102  19.03 +/- 1.03   0.000% *  0.3753% (0.87   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+ 102  15.87 +/- 1.18   0.001% *  0.1079% (0.25   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  65  13.70 +/- 0.66   0.002% *  0.0273% (0.06   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  65  14.42 +/- 0.89   0.001% *  0.0337% (0.08   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  65  14.46 +/- 1.15   0.002% *  0.0273% (0.06   0.02   0.02) =   0.000%
          QB    ALA   61 - QD    LYS+ 102  20.03 +/- 1.00   0.000% *  0.2276% (0.53   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 111  15.93 +/- 0.30   0.001% *  0.0595% (0.14   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+ 102  18.53 +/- 1.29   0.000% *  0.1335% (0.31   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   LYS+ 111  17.73 +/- 0.58   0.000% *  0.0981% (0.23   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+ 102  19.63 +/- 1.12   0.000% *  0.1476% (0.34   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+ 102  19.61 +/- 1.73   0.000% *  0.1079% (0.25   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+ 102  20.27 +/- 0.80   0.000% *  0.1079% (0.25   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+ 111  20.48 +/- 0.82   0.000% *  0.0777% (0.18   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+ 111  20.97 +/- 0.50   0.000% *  0.0906% (0.21   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 111  21.42 +/- 0.77   0.000% *  0.0777% (0.18   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 111  23.21 +/- 1.00   0.000% *  0.1109% (0.26   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HD2   LYS+ 111  23.80 +/- 1.73   0.000% *  0.1131% (0.26   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QD    LYS+  65  23.98 +/- 1.18   0.000% *  0.1093% (0.25   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  65  21.08 +/- 1.56   0.000% *  0.0373% (0.09   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 111  24.79 +/- 1.12   0.000% *  0.0386% (0.09   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 111  27.53 +/- 0.48   0.000% *  0.0282% (0.07   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 1 structures by 0.01 A, kept.
 
    Peak 1241 (1.38, 1.68, 29.29 ppm):
    42 chemical-shift based assignments, quality = 0.821, support = 4.07, residual support = 158.9:
    * O T HG3   LYS+ 102 - QD    LYS+ 102   2.49 +/- 0.09  45.490% * 75.2751% (1.00   4.00 158.21) =  76.160%  kept
      O T HG3   LYS+  65 - QD    LYS+  65   2.42 +/- 0.15  53.729% * 19.9483% (0.25   4.28 161.19) =  23.838%  kept
          QB    LEU   98 - QD    LYS+ 102   6.21 +/- 0.73   0.248% *  0.1284% (0.34   0.02   3.07) =   0.001%
          HB2   LYS+ 112 - HD2   LYS+ 111   5.80 +/- 0.41   0.307% *  0.0975% (0.26   0.02  25.46) =   0.001%
        T HG3   LYS+ 106 - QD    LYS+ 102   8.73 +/- 1.72   0.061% *  0.3560% (0.95   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   7.34 +/- 1.35   0.132% *  0.1046% (0.28   0.02   3.07) =   0.000%
          HB    VAL   42 - QD    LYS+ 102  13.95 +/- 1.03   0.002% *  0.3689% (0.98   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  65  11.54 +/- 0.71   0.005% *  0.0932% (0.25   0.02   0.02) =   0.000%
        T HB3   PRO   93 - HD2   LYS+ 111  10.85 +/- 0.32   0.007% *  0.0405% (0.11   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  65  13.64 +/- 2.07   0.004% *  0.0577% (0.15   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QD    LYS+ 102  16.33 +/- 0.83   0.001% *  0.3560% (0.95   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD    LYS+ 102  16.68 +/- 1.08   0.001% *  0.3755% (1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HD2   LYS+ 111  13.81 +/- 0.37   0.002% *  0.0931% (0.25   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  15.69 +/- 1.03   0.001% *  0.1413% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  65  14.57 +/- 0.82   0.001% *  0.0949% (0.25   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  12.56 +/- 1.15   0.003% *  0.0188% (0.05   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  15.30 +/- 1.02   0.001% *  0.0391% (0.10   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  65  13.28 +/- 0.99   0.002% *  0.0147% (0.04   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  19.80 +/- 1.49   0.000% *  0.1547% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  65  18.26 +/- 0.88   0.000% *  0.0943% (0.25   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+ 102  23.37 +/- 1.63   0.000% *  0.3730% (0.99   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QD    LYS+  65  18.37 +/- 0.88   0.000% *  0.0900% (0.24   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  17.99 +/- 1.17   0.000% *  0.0745% (0.20   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+ 102  23.83 +/- 1.02   0.000% *  0.3689% (0.98   0.02   0.02) =   0.000%
          HB    VAL   42 - HD2   LYS+ 111  19.29 +/- 0.28   0.000% *  0.0964% (0.26   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  16.48 +/- 0.38   0.001% *  0.0369% (0.10   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  65  19.87 +/- 1.00   0.000% *  0.0900% (0.24   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  65  17.08 +/- 0.61   0.000% *  0.0324% (0.09   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+ 102  24.16 +/- 1.85   0.000% *  0.2283% (0.61   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  18.45 +/- 0.88   0.000% *  0.0357% (0.09   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 111  18.85 +/- 0.40   0.000% *  0.0336% (0.09   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HD2   LYS+ 111  22.79 +/- 0.67   0.000% *  0.0982% (0.26   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD2   LYS+ 111  23.09 +/- 0.72   0.000% *  0.0964% (0.26   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+ 102  21.33 +/- 0.98   0.000% *  0.0581% (0.15   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD2   LYS+ 111  23.94 +/- 1.06   0.000% *  0.0984% (0.26   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  19.25 +/- 0.73   0.000% *  0.0264% (0.07   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  19.94 +/- 1.54   0.000% *  0.0274% (0.07   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  65  24.57 +/- 0.76   0.000% *  0.0951% (0.25   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.84 +/- 0.75   0.000% *  0.0195% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   LYS+ 111  22.85 +/- 0.40   0.000% *  0.0152% (0.04   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD2   LYS+ 111  30.94 +/- 0.43   0.000% *  0.0931% (0.25   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 111  32.35 +/- 1.89   0.000% *  0.0597% (0.16   0.02   0.02) =   0.000%
    Distance limit 2.57 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 = 158.2:
    * O T QE    LYS+ 102 - QD    LYS+ 102   2.10 +/- 0.03  99.975% * 98.5454% (1.00   4.00 158.21) = 100.000%  kept
        T QE    LYS+  99 - QD    LYS+ 102   8.92 +/- 0.64   0.020% *  0.3385% (0.69   0.02   1.99) =   0.000%
        T QE    LYS+  38 - QD    LYS+ 102  11.54 +/- 1.31   0.005% *  0.4548% (0.92   0.02   0.02) =   0.000%
        T QE    LYS+  99 - QD    LYS+  65  15.02 +/- 0.42   0.001% *  0.0855% (0.17   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HD2   LYS+ 111  20.92 +/- 0.97   0.000% *  0.1288% (0.26   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+  65  20.99 +/- 0.74   0.000% *  0.1150% (0.23   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HD2   LYS+ 111  21.06 +/- 0.98   0.000% *  0.0885% (0.18   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  65  22.97 +/- 0.53   0.000% *  0.1245% (0.25   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HD2   LYS+ 111  29.78 +/- 0.44   0.000% *  0.1189% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1244 (4.60, 3.02, 42.50 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 158.2:
    *   T HA    LYS+ 102 - QE    LYS+ 102   3.10 +/- 0.32  99.746% * 97.7139% (1.00   5.05 158.21) =  99.999%  kept
        T HA    LYS+ 102 - QE    LYS+  99   8.95 +/- 0.47   0.204% *  0.2639% (0.68   0.02   1.99) =   0.001%
        T HA    LYS+ 102 - QE    LYS+  38  12.25 +/- 1.07   0.033% *  0.0886% (0.23   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  99  17.90 +/- 0.66   0.003% *  0.2204% (0.57   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+ 102  19.29 +/- 0.70   0.002% *  0.1883% (0.49   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+ 102  21.41 +/- 0.84   0.001% *  0.3232% (0.84   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  99  19.43 +/- 0.63   0.002% *  0.1284% (0.33   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  99  17.40 +/- 0.63   0.004% *  0.0522% (0.13   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  38  20.41 +/- 0.34   0.001% *  0.0740% (0.19   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  99  23.18 +/- 0.41   0.001% *  0.1183% (0.31   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+ 102  25.52 +/- 0.48   0.000% *  0.1735% (0.45   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+ 102  22.23 +/- 0.69   0.001% *  0.0766% (0.20   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  99  27.44 +/- 0.36   0.000% *  0.1707% (0.44   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+ 102  29.27 +/- 0.53   0.000% *  0.2503% (0.65   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  38  21.38 +/- 0.29   0.001% *  0.0175% (0.05   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  38  27.10 +/- 0.50   0.000% *  0.0431% (0.11   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  38  30.15 +/- 0.25   0.000% *  0.0397% (0.10   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  38  33.83 +/- 0.32   0.000% *  0.0573% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1245 (1.81, 3.02, 42.50 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 158.2:
    *   T QB    LYS+ 102 - QE    LYS+ 102   2.65 +/- 0.38  97.959% * 95.6461% (1.00   4.75 158.21) =  99.996%  kept
        T QB    LYS+ 102 - QE    LYS+  99   7.04 +/- 0.66   0.515% *  0.2748% (0.68   0.02   1.99) =   0.002%
          HG12  ILE  103 - QE    LYS+ 102   6.32 +/- 0.32   0.769% *  0.1374% (0.34   0.02  22.53) =   0.001%
        T HB    VAL   41 - QE    LYS+  99   6.86 +/- 0.50   0.431% *  0.1337% (0.33   0.02   0.02) =   0.001%
          HB2   LEU   71 - QE    LYS+  99   9.04 +/- 0.83   0.091% *  0.2652% (0.66   0.02   0.02) =   0.000%
        T HB    VAL   41 - QE    LYS+ 102  10.73 +/- 0.95   0.036% *  0.1961% (0.49   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  99  10.68 +/- 0.42   0.032% *  0.1887% (0.47   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  99   9.79 +/- 0.62   0.062% *  0.0937% (0.23   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QE    LYS+  38  10.14 +/- 1.25   0.050% *  0.0922% (0.23   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  99  13.70 +/- 0.31   0.007% *  0.2693% (0.67   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  38  12.58 +/- 0.51   0.012% *  0.0890% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+ 102  16.45 +/- 0.71   0.003% *  0.3888% (0.97   0.02   0.02) =   0.000%
        T HB    VAL   41 - QE    LYS+  38  11.83 +/- 0.42   0.016% *  0.0449% (0.11   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  99  16.20 +/- 0.80   0.002% *  0.1337% (0.33   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+ 102  18.42 +/- 0.47   0.001% *  0.2768% (0.69   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  99  19.65 +/- 0.60   0.001% *  0.2536% (0.63   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+ 102  21.50 +/- 0.28   0.000% *  0.3949% (0.98   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  99  15.11 +/- 0.68   0.004% *  0.0424% (0.11   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+ 102  21.49 +/- 0.64   0.000% *  0.3719% (0.92   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  38  14.99 +/- 1.04   0.004% *  0.0315% (0.08   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  38  18.14 +/- 0.86   0.001% *  0.0634% (0.16   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  38  20.24 +/- 0.79   0.001% *  0.0904% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+ 102  24.66 +/- 0.56   0.000% *  0.1961% (0.49   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  38  20.51 +/- 0.96   0.001% *  0.0449% (0.11   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+ 102  21.74 +/- 0.97   0.000% *  0.0622% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  99  24.16 +/- 0.59   0.000% *  0.0424% (0.11   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+ 102  25.62 +/- 0.65   0.000% *  0.0622% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  38  27.68 +/- 0.41   0.000% *  0.0851% (0.21   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  38  24.18 +/- 0.92   0.000% *  0.0142% (0.04   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  38  32.11 +/- 0.30   0.000% *  0.0142% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1246 (1.45, 3.02, 42.50 ppm):
    39 chemical-shift based assignments, quality = 0.953, support = 4.11, residual support = 143.2:
    * O T HG2   LYS+ 102 - QE    LYS+ 102   3.22 +/- 0.29  61.478% * 79.9372% (1.00   4.41 158.21) =  89.562%  kept
          HG    LEU   40 - QE    LYS+  99   3.76 +/- 1.11  37.532% * 15.2550% (0.55   1.54  14.08) =  10.434%  kept
        T HG2   LYS+ 102 - QE    LYS+  99   8.59 +/- 0.79   0.213% *  0.2473% (0.68   0.02   1.99) =   0.001%
          HB3   LEU   67 - QE    LYS+  99   8.09 +/- 0.87   0.292% *  0.1699% (0.47   0.02   0.02) =   0.001%
          HG    LEU   67 - QE    LYS+  99   8.11 +/- 0.96   0.275% *  0.1699% (0.47   0.02   0.02) =   0.001%
          HG    LEU   73 - QE    LYS+  99  11.52 +/- 1.12   0.032% *  0.2424% (0.67   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+ 102  11.94 +/- 0.76   0.020% *  0.2904% (0.80   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  99  12.13 +/- 0.85   0.024% *  0.2145% (0.59   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QE    LYS+  38  11.42 +/- 1.62   0.032% *  0.0830% (0.23   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+ 102  16.02 +/- 1.40   0.004% *  0.3555% (0.98   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  38  12.13 +/- 0.61   0.018% *  0.0665% (0.18   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  99  12.45 +/- 0.72   0.017% *  0.0617% (0.17   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  99  15.63 +/- 1.03   0.005% *  0.1980% (0.55   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  99  14.81 +/- 0.39   0.006% *  0.1301% (0.36   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+ 102  17.30 +/- 0.85   0.002% *  0.2491% (0.69   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  99  14.06 +/- 1.05   0.009% *  0.0617% (0.17   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+ 102  17.40 +/- 0.58   0.002% *  0.2491% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+ 102  18.71 +/- 0.79   0.002% *  0.2904% (0.80   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  38  15.50 +/- 0.65   0.005% *  0.0814% (0.22   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+ 102  19.80 +/- 0.71   0.001% *  0.3146% (0.87   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+ 102  16.46 +/- 0.85   0.003% *  0.0904% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  38  15.76 +/- 1.35   0.005% *  0.0570% (0.16   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  38  16.43 +/- 1.00   0.004% *  0.0570% (0.16   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  99  16.67 +/- 1.16   0.003% *  0.0617% (0.17   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  99  17.42 +/- 0.54   0.002% *  0.0763% (0.21   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+ 102  18.85 +/- 0.55   0.001% *  0.1119% (0.31   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+ 102  20.61 +/- 0.27   0.001% *  0.1908% (0.53   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+ 102  19.79 +/- 1.42   0.001% *  0.1237% (0.34   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  99  19.45 +/- 0.87   0.001% *  0.0844% (0.23   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  38  19.51 +/- 1.03   0.001% *  0.0720% (0.20   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+ 102  20.20 +/- 1.08   0.001% *  0.0904% (0.25   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+ 102  20.87 +/- 0.95   0.001% *  0.0904% (0.25   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  38  16.94 +/- 0.91   0.003% *  0.0207% (0.06   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  38  21.08 +/- 0.55   0.001% *  0.0437% (0.12   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  38  20.16 +/- 0.64   0.001% *  0.0207% (0.06   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  38  24.64 +/- 0.75   0.000% *  0.0665% (0.18   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  38  22.31 +/- 1.15   0.001% *  0.0283% (0.08   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  38  24.33 +/- 0.37   0.000% *  0.0256% (0.07   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  38  25.86 +/- 1.27   0.000% *  0.0207% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1247 (1.38, 3.02, 42.50 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 158.2:
    * O T HG3   LYS+ 102 - QE    LYS+ 102   2.26 +/- 0.24  99.157% * 92.3401% (1.00   4.00 158.21) =  99.999%  kept
          QB    LEU   98 - QE    LYS+ 102   6.72 +/- 0.30   0.176% *  0.1575% (0.34   0.02   3.07) =   0.000%
          QB    LEU   98 - QE    LYS+  99   6.53 +/- 0.34   0.198% *  0.1074% (0.23   0.02  18.01) =   0.000%
          HB    VAL   42 - QE    LYS+  99   7.93 +/- 0.45   0.063% *  0.3086% (0.67   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 102   7.82 +/- 0.85   0.131% *  0.1284% (0.28   0.02   3.07) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+ 102   9.21 +/- 0.92   0.032% *  0.4367% (0.95   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  99   7.94 +/- 0.81   0.120% *  0.0875% (0.19   0.02  18.01) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  99   9.17 +/- 0.66   0.026% *  0.3149% (0.68   0.02   1.99) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  99  11.38 +/- 1.65   0.014% *  0.2979% (0.65   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  99  10.87 +/- 0.87   0.012% *  0.2979% (0.65   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  38   9.96 +/- 1.20   0.022% *  0.1000% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  38  11.82 +/- 1.54   0.010% *  0.1057% (0.23   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  99  13.13 +/- 0.78   0.003% *  0.3142% (0.68   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+ 102  14.68 +/- 0.37   0.002% *  0.4526% (0.98   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+ 102  16.83 +/- 0.93   0.001% *  0.4367% (0.95   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  38  10.79 +/- 0.51   0.010% *  0.0361% (0.08   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  99  11.89 +/- 0.62   0.006% *  0.0623% (0.13   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+ 102  17.14 +/- 0.89   0.001% *  0.4607% (1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  99  15.93 +/- 0.78   0.001% *  0.3086% (0.67   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  38  13.23 +/- 1.82   0.008% *  0.0294% (0.06   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 102  15.72 +/- 0.77   0.001% *  0.1733% (0.38   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  99  17.38 +/- 1.89   0.001% *  0.1910% (0.41   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  38  15.33 +/- 0.40   0.001% *  0.1036% (0.22   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  99  16.80 +/- 0.33   0.001% *  0.1182% (0.26   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  38  17.26 +/- 0.39   0.001% *  0.1055% (0.23   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  99  18.02 +/- 0.54   0.000% *  0.1294% (0.28   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  38  17.27 +/- 2.70   0.001% *  0.0641% (0.14   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  99  21.62 +/- 0.85   0.000% *  0.3121% (0.68   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  38  18.26 +/- 0.82   0.000% *  0.1000% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+ 102  20.22 +/- 0.60   0.000% *  0.1898% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+ 102  23.82 +/- 0.89   0.000% *  0.4576% (0.99   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 102  18.69 +/- 1.13   0.000% *  0.0914% (0.20   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+ 102  24.61 +/- 0.70   0.000% *  0.4526% (0.98   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  99  17.38 +/- 0.54   0.001% *  0.0486% (0.11   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+ 102  24.67 +/- 2.03   0.000% *  0.2800% (0.61   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  38  22.74 +/- 1.06   0.000% *  0.1036% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+ 102  21.80 +/- 0.61   0.000% *  0.0712% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  38  18.34 +/- 1.09   0.000% *  0.0209% (0.05   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  38  20.52 +/- 0.62   0.000% *  0.0397% (0.09   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  38  25.84 +/- 0.40   0.000% *  0.0434% (0.09   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  38  22.11 +/- 0.29   0.000% *  0.0163% (0.04   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  38  30.74 +/- 0.52   0.000% *  0.1048% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1248 (1.68, 3.02, 42.50 ppm):
    36 chemical-shift based assignments, quality = 0.782, support = 4.06, residual support = 166.8:
    * O T QD    LYS+ 102 - QE    LYS+ 102   2.10 +/- 0.03  33.020% * 70.6576% (1.00   4.00 158.21) =  73.821%  kept
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  34.312% * 12.5987% (0.15   4.70 173.87) =  13.678%  kept
      O   QD    LYS+  38 - QE    LYS+  38   2.11 +/- 0.02  32.592% * 12.1217% (0.18   3.74 209.82) =  12.500%  kept
          QD    LYS+  38 - QE    LYS+  99   7.37 +/- 1.04   0.027% *  0.1929% (0.55   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  99   8.92 +/- 0.64   0.006% *  0.2409% (0.68   0.02   1.99) =   0.000%
        T QD    LYS+ 106 - QE    LYS+ 102   8.69 +/- 1.14   0.009% *  0.0881% (0.25   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QE    LYS+ 102   8.96 +/- 0.87   0.007% *  0.0787% (0.22   0.02   1.99) =   0.000%
          QD    LYS+  38 - QE    LYS+ 102  11.58 +/- 1.41   0.002% *  0.2829% (0.80   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  99  10.03 +/- 0.91   0.003% *  0.1268% (0.36   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QE    LYS+  38   7.89 +/- 0.79   0.015% *  0.0180% (0.05   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  38  11.54 +/- 1.31   0.002% *  0.0809% (0.23   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  11.29 +/- 0.89   0.002% *  0.0601% (0.17   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  99  13.97 +/- 0.66   0.000% *  0.2224% (0.63   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  12.90 +/- 0.83   0.001% *  0.0991% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 102  15.17 +/- 0.99   0.000% *  0.1859% (0.53   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  99  15.02 +/- 0.42   0.000% *  0.1364% (0.39   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 102  17.36 +/- 1.29   0.000% *  0.2285% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  16.80 +/- 1.20   0.000% *  0.1452% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 102  20.57 +/- 1.07   0.000% *  0.3261% (0.92   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  99  18.57 +/- 0.84   0.000% *  0.1559% (0.44   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  99  20.46 +/- 0.55   0.000% *  0.2279% (0.65   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+ 102  20.92 +/- 0.97   0.000% *  0.2427% (0.69   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 102  22.56 +/- 0.59   0.000% *  0.3342% (0.95   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 102  21.05 +/- 0.86   0.000% *  0.2000% (0.57   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  99  21.06 +/- 0.98   0.000% *  0.1655% (0.47   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  99  21.08 +/- 0.60   0.000% *  0.1364% (0.39   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 102  22.97 +/- 0.53   0.000% *  0.2000% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  17.27 +/- 0.42   0.000% *  0.0332% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  38  19.43 +/- 0.91   0.000% *  0.0425% (0.12   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.53 +/- 1.13   0.000% *  0.0202% (0.06   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  38  20.99 +/- 0.74   0.000% *  0.0458% (0.13   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  38  21.51 +/- 0.82   0.000% *  0.0523% (0.15   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  38  22.96 +/- 0.91   0.000% *  0.0747% (0.21   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  38  28.28 +/- 0.38   0.000% *  0.0765% (0.22   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  38  28.58 +/- 0.50   0.000% *  0.0458% (0.13   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  38  29.78 +/- 0.44   0.000% *  0.0555% (0.16   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 0.742, support = 5.76, residual support = 137.4:
    * O T HB    ILE  103 - HA    ILE  103   2.95 +/- 0.03  29.785% * 80.1546% (1.00   5.66 137.42) =  67.864%  kept
      O T HG12  ILE  103 - HA    ILE  103   2.56 +/- 0.34  67.468% * 16.7526% (0.20   5.98 137.42) =  32.129%  kept
          QB    LYS+ 106 - HA    ILE  103   5.59 +/- 0.25   0.666% *  0.2267% (0.80   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HA    ILE  103   6.72 +/- 0.14   0.216% *  0.2807% (0.99   0.02   5.31) =   0.002%
          HB3   LYS+  38 - HA    THR   39   4.72 +/- 0.11   1.791% *  0.0233% (0.08   0.02  15.15) =   0.001%
          QB    LYS+  33 - HA    THR   39   8.74 +/- 0.61   0.047% *  0.0885% (0.31   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    THR   39  11.92 +/- 0.50   0.008% *  0.0933% (0.33   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE  103  14.39 +/- 0.49   0.002% *  0.2679% (0.95   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    THR   39  13.17 +/- 0.26   0.004% *  0.0927% (0.33   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE  103  13.58 +/- 0.75   0.003% *  0.0706% (0.25   0.02   0.02) =   0.000%
        T HB    ILE  103 - HA    THR   39  14.58 +/- 0.40   0.002% *  0.0936% (0.33   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    THR   39  14.73 +/- 0.51   0.002% *  0.0749% (0.26   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE  103  19.05 +/- 0.67   0.000% *  0.2540% (0.90   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE  103  19.19 +/- 0.48   0.000% *  0.2365% (0.84   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE  103  19.76 +/- 0.31   0.000% *  0.2825% (1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    THR   39  13.52 +/- 0.86   0.003% *  0.0185% (0.07   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ILE  103  19.57 +/- 0.40   0.000% *  0.1164% (0.41   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ILE  103  19.24 +/- 0.28   0.000% *  0.1063% (0.38   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ILE  103  25.94 +/- 0.36   0.000% *  0.2825% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ILE  103  22.89 +/- 0.28   0.000% *  0.1164% (0.41   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    THR   39  19.93 +/- 0.92   0.000% *  0.0385% (0.14   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    THR   39  24.49 +/- 0.31   0.000% *  0.0781% (0.28   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    THR   39  27.07 +/- 0.62   0.000% *  0.0839% (0.30   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    THR   39  23.93 +/- 0.36   0.000% *  0.0351% (0.12   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    THR   39  28.85 +/- 0.53   0.000% *  0.0933% (0.33   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    THR   39  28.90 +/- 0.27   0.000% *  0.0385% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.941, support = 5.33, residual support = 137.4:
    * O T QG2   ILE  103 - HA    ILE  103   2.72 +/- 0.08  75.541% * 69.8481% (1.00   5.38 137.42) =  89.351%  kept
        T QD1   ILE  103 - HA    ILE  103   3.46 +/- 0.49  21.984% * 28.5844% (0.45   4.91 137.42) =  10.642%  kept
          QD2   LEU   40 - HA    ILE  103   5.36 +/- 0.24   1.351% *  0.2504% (0.97   0.02   0.02) =   0.006%
          QD2   LEU   40 - HA    THR   39   5.78 +/- 0.14   0.819% *  0.0827% (0.32   0.02  24.25) =   0.001%
          QD1   LEU   67 - HA    ILE  103   9.94 +/- 0.27   0.032% *  0.2544% (0.98   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   8.31 +/- 0.32   0.097% *  0.0840% (0.32   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    THR   39   7.85 +/- 0.62   0.145% *  0.0485% (0.19   0.02   0.02) =   0.000%
        T QG2   ILE  103 - HA    THR   39  12.22 +/- 0.37   0.009% *  0.0857% (0.33   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  13.54 +/- 0.40   0.005% *  0.1469% (0.57   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    ILE  103  14.25 +/- 0.42   0.004% *  0.1067% (0.41   0.02   0.02) =   0.000%
        T QD1   ILE  103 - HA    THR   39  12.72 +/- 0.80   0.007% *  0.0384% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  19.04 +/- 0.49   0.001% *  0.2544% (0.98   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  15.39 +/- 0.13   0.002% *  0.0721% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  19.39 +/- 0.62   0.001% *  0.0840% (0.32   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  16.56 +/- 0.40   0.002% *  0.0238% (0.09   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    THR   39  18.14 +/- 0.39   0.001% *  0.0352% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.583, support = 5.15, residual support = 137.4:
      O T QG2   ILE  103 - HA    ILE  103   2.72 +/- 0.08  75.544% * 22.5498% (0.25   5.38 137.42) =  50.416%  kept
    *   T QD1   ILE  103 - HA    ILE  103   3.46 +/- 0.49  21.985% * 76.2011% (0.92   4.91 137.42) =  49.581%  kept
          QD2   LEU   40 - HA    ILE  103   5.36 +/- 0.24   1.351% *  0.0518% (0.15   0.02   0.02) =   0.002%
          QD2   LEU   40 - HA    THR   39   5.78 +/- 0.14   0.819% *  0.0171% (0.05   0.02  24.25) =   0.000%
          QD2   LEU   71 - HA    THR   39   7.85 +/- 0.62   0.145% *  0.0927% (0.28   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    ILE  103   9.94 +/- 0.27   0.032% *  0.0588% (0.18   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   8.31 +/- 0.32   0.097% *  0.0194% (0.06   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  13.54 +/- 0.40   0.005% *  0.2806% (0.84   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  15.39 +/- 0.13   0.002% *  0.3352% (1.00   0.02   0.02) =   0.000%
        T QD1   ILE  103 - HA    THR   39  12.72 +/- 0.80   0.007% *  0.1025% (0.30   0.02   0.02) =   0.000%
        T QG2   ILE  103 - HA    THR   39  12.22 +/- 0.37   0.009% *  0.0277% (0.08   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  16.56 +/- 0.40   0.002% *  0.1108% (0.33   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  19.04 +/- 0.49   0.001% *  0.1146% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  19.39 +/- 0.62   0.001% *  0.0379% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 137.4:
    * O T HA    ILE  103 - HB    ILE  103   2.95 +/- 0.03  99.966% * 97.5596% (1.00   5.66 137.42) = 100.000%  kept
          HA    ASP-  44 - HB    ILE  103  13.55 +/- 0.27   0.011% *  0.3260% (0.95   0.02   0.02) =   0.000%
        T HA    THR   39 - HB    ILE  103  14.58 +/- 0.40   0.007% *  0.2503% (0.73   0.02   0.02) =   0.000%
          HA    SER   85 - HB    ILE  103  16.30 +/- 0.64   0.004% *  0.3378% (0.98   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB    ILE  103  13.80 +/- 0.73   0.010% *  0.0958% (0.28   0.02   0.02) =   0.000%
          HB    THR   77 - HB    ILE  103  19.61 +/- 0.37   0.001% *  0.3378% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    ILE  103  22.99 +/- 0.70   0.000% *  0.2760% (0.80   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    ILE  103  21.61 +/- 0.49   0.001% *  0.1064% (0.31   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    ILE  103  26.78 +/- 0.34   0.000% *  0.2090% (0.61   0.02   0.02) =   0.000%
          HA    MET   11 - HB    ILE  103  33.60 +/- 2.95   0.000% *  0.3182% (0.92   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB    ILE  103  26.78 +/- 1.29   0.000% *  0.0767% (0.22   0.02   0.02) =   0.000%
          HA    ALA   12 - HB    ILE  103  31.46 +/- 1.83   0.000% *  0.1064% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 0.887, support = 4.93, residual support = 137.4:
    * O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.01  62.164% * 69.3727% (1.00   4.98 137.42) =  79.473%  kept
      O T QD1   ILE  103 - HB    ILE  103   2.33 +/- 0.24  37.806% * 29.4626% (0.45   4.72 137.42) =  20.527%  kept
          QD2   LEU   40 - HB    ILE  103   7.74 +/- 0.24   0.026% *  0.2689% (0.97   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  12.07 +/- 0.30   0.002% *  0.2731% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  15.84 +/- 0.41   0.000% *  0.1577% (0.57   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  103  15.37 +/- 0.45   0.000% *  0.1145% (0.41   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  16.65 +/- 0.24   0.000% *  0.0775% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  20.80 +/- 0.54   0.000% *  0.2731% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 0.708, support = 4.8, residual support = 137.4:
    * O T QD1   ILE  103 - HB    ILE  103   2.33 +/- 0.24  37.807% * 77.1220% (0.92   4.72 137.42) =  68.080%  kept
      O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.01  62.165% * 21.9913% (0.25   4.98 137.42) =  31.920%  kept
          QD2   LEU   40 - HB    ILE  103   7.74 +/- 0.24   0.026% *  0.0546% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  12.07 +/- 0.30   0.002% *  0.0620% (0.18   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  15.84 +/- 0.41   0.000% *  0.2958% (0.84   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  16.65 +/- 0.24   0.000% *  0.3534% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  20.80 +/- 0.54   0.000% *  0.1208% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1258 (4.28, 0.98, 18.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.38, residual support = 137.4:
    * O T HA    ILE  103 - QG2   ILE  103   2.72 +/- 0.08  99.921% * 97.4368% (1.00   5.38 137.42) = 100.000%  kept
          HA    ASP-  44 - QG2   ILE  103  10.05 +/- 0.32   0.040% *  0.3424% (0.95   0.02   0.02) =   0.000%
        T HA    THR   39 - QG2   ILE  103  12.22 +/- 0.37   0.012% *  0.2629% (0.73   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   ILE  103  13.60 +/- 0.40   0.007% *  0.3548% (0.98   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   ILE  103  12.06 +/- 0.47   0.014% *  0.1006% (0.28   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   ILE  103  15.68 +/- 0.30   0.003% *  0.3548% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   ILE  103  19.01 +/- 0.48   0.001% *  0.2899% (0.80   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   ILE  103  16.45 +/- 0.49   0.002% *  0.1117% (0.31   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   ILE  103  20.91 +/- 0.32   0.000% *  0.2196% (0.61   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   ILE  103  27.85 +/- 2.41   0.000% *  0.3342% (0.92   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   ILE  103  22.00 +/- 1.07   0.000% *  0.0806% (0.22   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   ILE  103  26.00 +/- 1.47   0.000% *  0.1117% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 0.999, support = 4.98, residual support = 137.3:
    * O T HB    ILE  103 - QG2   ILE  103   2.12 +/- 0.01  76.944% * 96.8457% (1.00   4.98 137.42) =  99.928%  kept
          QB    LYS+ 106 - QG2   ILE  103   2.97 +/- 0.48  14.792% *  0.3114% (0.80   0.02   0.02) =   0.062%
      O T HG12  ILE  103 - QG2   ILE  103   3.13 +/- 0.20   7.766% *  0.0770% (0.20   0.02 137.42) =   0.008%
          HB3   ASP- 105 - QG2   ILE  103   4.92 +/- 0.27   0.494% *  0.3855% (0.99   0.02   5.31) =   0.003%
          QB    LYS+  33 - QG2   ILE  103  14.26 +/- 0.50   0.001% *  0.3679% (0.95   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE  103  14.88 +/- 0.69   0.001% *  0.3488% (0.90   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE  103  15.92 +/- 0.39   0.000% *  0.3249% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   ILE  103  13.86 +/- 0.63   0.001% *  0.0970% (0.25   0.02   0.02) =   0.000%
          HB    ILE   56 - QG2   ILE  103  15.00 +/- 0.42   0.001% *  0.1460% (0.38   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE  103  17.85 +/- 0.38   0.000% *  0.3881% (1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   ILE  103  15.81 +/- 0.38   0.000% *  0.1599% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   ILE  103  17.74 +/- 0.34   0.000% *  0.1599% (0.41   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE  103  20.97 +/- 0.50   0.000% *  0.3881% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1260 (0.98, 0.98, 18.17 ppm):
    1 diagonal assignment:
    *     QG2   ILE  103 - QG2   ILE  103  (1.00)  kept
 
    Peak 1261 (0.96, 0.98, 18.17 ppm):
    1 diagonal assignment:
          QG2   ILE  103 - QG2   ILE  103  (0.25)  kept
    Reference assignment not found: QD1   ILE  103 - QG2   ILE  103
 
    Peak 1262 (4.28, 0.96, 13.94 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 4.91, residual support = 137.4:
    *   T HA    ILE  103 - QD1   ILE  103   3.46 +/- 0.49  99.224% * 97.1988% (0.92   4.91 137.42) =  99.998%  kept
          HA    ASP-  44 - QD1   ILE  103   9.82 +/- 0.70   0.260% *  0.3742% (0.87   0.02   0.02) =   0.001%
          HA    SER   85 - QD1   ILE  103  11.45 +/- 0.72   0.106% *  0.3878% (0.90   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   ILE  103   9.56 +/- 0.61   0.313% *  0.1100% (0.26   0.02   0.02) =   0.000%
        T HA    THR   39 - QD1   ILE  103  12.72 +/- 0.80   0.045% *  0.2873% (0.67   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   ILE  103  14.21 +/- 0.63   0.027% *  0.3878% (0.90   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD1   ILE  103  17.05 +/- 0.69   0.009% *  0.3168% (0.74   0.02   0.02) =   0.000%
          HA    ALA   57 - QD1   ILE  103  16.79 +/- 0.84   0.010% *  0.1221% (0.28   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD1   ILE  103  20.62 +/- 0.88   0.003% *  0.2399% (0.56   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   ILE  103  27.66 +/- 2.39   0.001% *  0.3652% (0.85   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   ILE  103  21.79 +/- 0.99   0.002% *  0.0881% (0.21   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   ILE  103  25.81 +/- 1.33   0.001% *  0.1221% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1263 (1.86, 0.96, 13.94 ppm):
    13 chemical-shift based assignments, quality = 0.757, support = 4.69, residual support = 137.3:
    * O T HB    ILE  103 - QD1   ILE  103   2.33 +/- 0.24  36.732% * 81.4918% (0.92   4.72 137.42) =  77.618%  kept
      O T HG12  ILE  103 - QD1   ILE  103   2.14 +/- 0.01  54.565% * 15.7747% (0.18   4.61 137.42) =  22.319%  kept
          QB    LYS+ 106 - QD1   ILE  103   3.58 +/- 0.95   8.642% *  0.2766% (0.74   0.02   0.02) =   0.062%
          HB3   ASP- 105 - QD1   ILE  103   7.12 +/- 0.77   0.057% *  0.3424% (0.91   0.02   5.31) =   0.001%
          QB    LYS+  33 - QD1   ILE  103  13.34 +/- 0.79   0.001% *  0.3268% (0.87   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE  103  13.29 +/- 0.90   0.001% *  0.3098% (0.83   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE  103  13.96 +/- 0.56   0.001% *  0.2886% (0.77   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE  103  14.16 +/- 1.13   0.001% *  0.0861% (0.23   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   ILE  103  15.47 +/- 0.96   0.000% *  0.1297% (0.35   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD1   ILE  103  19.03 +/- 0.60   0.000% *  0.3447% (0.92   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   ILE  103  17.76 +/- 0.98   0.000% *  0.1420% (0.38   0.02   0.02) =   0.000%
          HG    LEU  123 - QD1   ILE  103  18.08 +/- 0.62   0.000% *  0.1420% (0.38   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   ILE  103  21.01 +/- 0.89   0.000% *  0.3447% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1264 (0.98, 0.96, 13.94 ppm):
    1 diagonal assignment:
          QD1   ILE  103 - QD1   ILE  103  (0.41)  kept
    Reference assignment not found: QG2   ILE  103 - QD1   ILE  103
 
    Peak 1265 (0.96, 0.96, 13.94 ppm):
    1 diagonal assignment:
    *     QD1   ILE  103 - QD1   ILE  103  (0.85)  kept
 
    Peak 1266 (4.32, 4.32, 55.17 ppm):
    1 diagonal assignment:
    *     HA    LEU  104 - HA    LEU  104  (1.00)  kept
 
    Peak 1267 (1.04, 4.32, 55.17 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 5.98, residual support = 218.6:
    * O T HB2   LEU  104 - HA    LEU  104   3.01 +/- 0.01  99.945% * 99.1464% (0.87   5.98 218.62) = 100.000%  kept
          QG2   VAL  108 - HA    LEU  104  11.22 +/- 0.21   0.038% *  0.3690% (0.96   0.02   0.02) =   0.000%
          QD1   ILE  119 - HA    LEU  104  14.56 +/- 0.22   0.008% *  0.2165% (0.56   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    LEU  104  14.32 +/- 0.63   0.009% *  0.0670% (0.17   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    LEU  104  21.64 +/- 0.30   0.001% *  0.2012% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1268 (0.86, 4.32, 55.17 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 218.6:
    * O T HB3   LEU  104 - HA    LEU  104   2.53 +/- 0.06  99.956% * 97.9440% (0.76   5.31 218.62) = 100.000%  kept
          QG1   VAL   70 - HA    LEU  104   9.78 +/- 0.32   0.031% *  0.4663% (0.96   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    LEU  104  13.63 +/- 0.40   0.004% *  0.4789% (0.99   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU  104  14.66 +/- 0.36   0.003% *  0.4789% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    LEU  104  13.64 +/- 0.45   0.004% *  0.1986% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  104  15.89 +/- 0.39   0.002% *  0.4333% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 5.8, residual support = 218.6:
    * O T HG    LEU  104 - HA    LEU  104   3.33 +/- 0.31  99.238% * 98.3849% (1.00   5.80 218.62) =  99.999%  kept
          HD2   LYS+ 121 - HA    LEU  104   8.24 +/- 0.74   0.562% *  0.1047% (0.31   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - HA    LEU  104   9.80 +/- 0.43   0.173% *  0.3391% (1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HA    LEU  104  16.30 +/- 0.22   0.008% *  0.3324% (0.98   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    LEU  104  16.61 +/- 0.54   0.007% *  0.2329% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HA    LEU  104  18.09 +/- 1.20   0.005% *  0.1273% (0.37   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LEU  104  21.45 +/- 0.48   0.002% *  0.3272% (0.96   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU  104  18.52 +/- 0.55   0.004% *  0.0671% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  104  21.43 +/- 0.48   0.002% *  0.0845% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1270 (0.60, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 5.31, residual support = 218.6:
    *   T QD1   LEU  104 - HA    LEU  104   3.33 +/- 0.61  99.794% * 98.6497% (0.96   5.31 218.62) = 100.000%  kept
        T QD1   LEU   63 - HA    LEU  104  10.82 +/- 0.37   0.115% *  0.1584% (0.41   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU  104  13.72 +/- 0.39   0.028% *  0.2945% (0.76   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU  104  13.45 +/- 0.31   0.031% *  0.1584% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  104  16.69 +/- 0.60   0.009% *  0.3343% (0.87   0.02   0.02) =   0.000%
          QG2   ILE   89 - HA    LEU  104  14.76 +/- 0.31   0.018% *  0.0961% (0.25   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  104  18.30 +/- 0.86   0.005% *  0.3086% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1271 (0.73, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.81, residual support = 218.6:
    *   T QD2   LEU  104 - HA    LEU  104   2.17 +/- 0.48  99.535% * 98.9549% (1.00   5.81 218.62) = 100.000%  kept
        T QD1   LEU   98 - HA    LEU  104   6.13 +/- 0.30   0.386% *  0.1052% (0.31   0.02   7.79) =   0.000%
        T QG1   VAL   41 - HA    LEU  104   8.37 +/- 0.32   0.057% *  0.0675% (0.20   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    LEU  104  10.52 +/- 0.48   0.019% *  0.1163% (0.34   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HA    LEU  104  16.13 +/- 1.05   0.001% *  0.1930% (0.56   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU  104  17.70 +/- 0.52   0.001% *  0.3290% (0.96   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    LEU  104  18.42 +/- 0.64   0.001% *  0.2341% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1272 (4.32, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 5.98, residual support = 218.6:
    * O T HA    LEU  104 - HB2   LEU  104   3.01 +/- 0.01  99.990% * 99.1536% (0.87   5.98 218.62) = 100.000%  kept
          HA    TRP   87 - HB2   LEU  104  14.59 +/- 0.54   0.008% *  0.1490% (0.39   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   LEU  104  18.85 +/- 0.59   0.002% *  0.2283% (0.60   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   LEU  104  22.50 +/- 1.13   0.001% *  0.2540% (0.66   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   LEU  104  27.03 +/- 1.77   0.000% *  0.2150% (0.56   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 5.39, residual support = 218.6:
    * O T HB3   LEU  104 - HB2   LEU  104   1.75 +/- 0.00  99.978% * 97.9759% (0.66   5.39 218.62) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU  104   7.42 +/- 0.27   0.018% *  0.4590% (0.84   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU  104  12.29 +/- 0.39   0.001% *  0.4714% (0.86   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  104  12.45 +/- 0.38   0.001% *  0.4714% (0.86   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  104  11.09 +/- 0.57   0.002% *  0.1955% (0.36   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  104  13.59 +/- 0.40   0.000% *  0.4266% (0.78   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1275 (1.53, 1.04, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 218.6:
    * O T HG    LEU  104 - HB2   LEU  104   2.34 +/- 0.20  99.814% * 98.4370% (0.87   6.00 218.62) = 100.000%  kept
          HB3   LYS+ 121 - HB2   LEU  104   8.82 +/- 0.59   0.051% *  0.3281% (0.87   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  104   7.68 +/- 0.82   0.128% *  0.1013% (0.27   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB2   LEU  104  14.50 +/- 0.57   0.002% *  0.2254% (0.60   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LEU  104  15.91 +/- 0.22   0.001% *  0.3216% (0.85   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB2   LEU  104  15.86 +/- 1.25   0.001% *  0.1231% (0.33   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   LEU  104  19.06 +/- 0.54   0.000% *  0.3167% (0.84   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  104  16.63 +/- 0.55   0.001% *  0.0649% (0.17   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  104  18.64 +/- 0.42   0.000% *  0.0818% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 5.39, residual support = 218.6:
    * O T QD1   LEU  104 - HB2   LEU  104   2.64 +/- 0.17  99.891% * 98.6708% (0.84   5.39 218.62) = 100.000%  kept
        T QD1   LEU   63 - HB2   LEU  104   8.90 +/- 0.38   0.075% *  0.1559% (0.36   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU  104  12.59 +/- 0.49   0.009% *  0.2899% (0.66   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU  104  11.53 +/- 0.32   0.016% *  0.1559% (0.36   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  104  15.75 +/- 0.62   0.002% *  0.3290% (0.75   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  104  16.97 +/- 0.90   0.002% *  0.3037% (0.69   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   LEU  104  13.84 +/- 0.35   0.005% *  0.0946% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1277 (0.73, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 6.07, residual support = 218.6:
    * O T QD2   LEU  104 - HB2   LEU  104   3.07 +/- 0.19  95.878% * 98.9995% (0.87   6.07 218.62) =  99.996%  kept
          QD1   LEU   98 - HB2   LEU  104   5.79 +/- 0.54   2.872% *  0.1007% (0.27   0.02   7.79) =   0.003%
        T QG1   VAL   41 - HB2   LEU  104   6.66 +/- 0.30   1.023% *  0.0646% (0.17   0.02   0.02) =   0.001%
          QG1   VAL   43 - HB2   LEU  104   8.75 +/- 0.53   0.201% *  0.1113% (0.30   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB2   LEU  104  13.76 +/- 1.08   0.014% *  0.1848% (0.49   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB2   LEU  104  15.46 +/- 0.47   0.006% *  0.3149% (0.84   0.02   0.02) =   0.000%
          QG2   THR   46 - HB2   LEU  104  16.72 +/- 0.70   0.004% *  0.2242% (0.60   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1278 (4.32, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 218.6:
    * O T HA    LEU  104 - HB3   LEU  104   2.53 +/- 0.06  99.998% * 99.0471% (0.76   5.31 218.62) = 100.000%  kept
          HA    TRP   87 - HB3   LEU  104  15.95 +/- 0.54   0.002% *  0.1678% (0.34   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   LEU  104  20.21 +/- 0.59   0.000% *  0.2571% (0.52   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   LEU  104  23.59 +/- 1.11   0.000% *  0.2860% (0.58   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   LEU  104  27.98 +/- 1.84   0.000% *  0.2421% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 5.39, residual support = 218.6:
    * O T HB2   LEU  104 - HB3   LEU  104   1.75 +/- 0.00  99.998% * 99.0542% (0.66   5.39 218.62) = 100.000%  kept
          QG2   VAL  108 - HB3   LEU  104  11.89 +/- 0.19   0.001% *  0.4089% (0.74   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LEU  104  13.22 +/- 0.34   0.001% *  0.2399% (0.43   0.02   0.02) =   0.000%
          HG    LEU   63 - HB3   LEU  104  12.42 +/- 0.75   0.001% *  0.0742% (0.13   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU  104  20.81 +/- 0.34   0.000% *  0.2229% (0.40   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 5.26, residual support = 218.6:
    * O T HG    LEU  104 - HB3   LEU  104   2.92 +/- 0.10  98.752% * 98.2208% (0.76   5.26 218.62) =  99.998%  kept
          HD2   LYS+ 121 - HB3   LEU  104   6.74 +/- 0.86   0.990% *  0.1153% (0.24   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - HB3   LEU  104   8.12 +/- 0.55   0.241% *  0.3735% (0.76   0.02   0.02) =   0.001%
          QD    LYS+  66 - HB3   LEU  104  14.50 +/- 0.58   0.007% *  0.2566% (0.52   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   LEU  104  16.23 +/- 0.27   0.003% *  0.3661% (0.75   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB3   LEU  104  17.22 +/- 1.28   0.003% *  0.1402% (0.29   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   LEU  104  20.47 +/- 0.60   0.001% *  0.3605% (0.74   0.02   0.02) =   0.000%
          QG2   THR   26 - HB3   LEU  104  18.02 +/- 0.56   0.002% *  0.0739% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LEU  104  19.30 +/- 0.65   0.001% *  0.0931% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (0.60, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.738, support = 5.0, residual support = 218.6:
    * O T QD1   LEU  104 - HB3   LEU  104   2.32 +/- 0.37  99.947% * 98.5685% (0.74   5.00 218.62) = 100.000%  kept
        T QD1   LEU   63 - HB3   LEU  104   9.45 +/- 0.50   0.038% *  0.1680% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU  104  12.67 +/- 0.54   0.006% *  0.3122% (0.58   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU  104  12.93 +/- 0.33   0.005% *  0.1680% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU  104  17.14 +/- 0.62   0.001% *  0.3544% (0.66   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB3   LEU  104  14.97 +/- 0.38   0.002% *  0.1019% (0.19   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  104  18.39 +/- 0.90   0.001% *  0.3271% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1283 (0.73, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 5.37, residual support = 218.6:
    * O T QD2   LEU  104 - HB3   LEU  104   2.63 +/- 0.26  99.436% * 98.8702% (0.76   5.37 218.62) =  99.999%  kept
          QD1   LEU   98 - HB3   LEU  104   6.97 +/- 0.44   0.373% *  0.1137% (0.24   0.02   7.79) =   0.000%
        T QG1   VAL   41 - HB3   LEU  104   7.93 +/- 0.31   0.151% *  0.0729% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB3   LEU  104  10.16 +/- 0.51   0.034% *  0.1257% (0.26   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB3   LEU  104  14.77 +/- 1.13   0.004% *  0.2086% (0.43   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB3   LEU  104  16.70 +/- 0.47   0.002% *  0.3556% (0.74   0.02   0.02) =   0.000%
          QG2   THR   46 - HB3   LEU  104  17.90 +/- 0.77   0.001% *  0.2531% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 5.8, residual support = 218.6:
    * O T HA    LEU  104 - HG    LEU  104   3.33 +/- 0.31  99.983% * 99.1282% (1.00   5.80 218.62) = 100.000%  kept
          HA    TRP   87 - HG    LEU  104  15.18 +/- 0.54   0.012% *  0.1535% (0.45   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG    LEU  104  19.16 +/- 0.64   0.003% *  0.2352% (0.69   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG    LEU  104  22.51 +/- 1.45   0.001% *  0.2617% (0.76   0.02   0.02) =   0.000%
          HA    ALA   12 - HG    LEU  104  26.83 +/- 2.18   0.000% *  0.2215% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1285 (1.04, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 218.6:
    * O T HB2   LEU  104 - HG    LEU  104   2.34 +/- 0.20  99.991% * 99.1494% (0.87   6.00 218.62) = 100.000%  kept
          QG2   VAL  108 - HG    LEU  104  12.90 +/- 0.35   0.004% *  0.3677% (0.97   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU  104  15.00 +/- 0.35   0.002% *  0.2157% (0.57   0.02   0.02) =   0.000%
          HG    LEU   63 - HG    LEU  104  13.80 +/- 0.91   0.003% *  0.0667% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HG    LEU  104  22.81 +/- 0.29   0.000% *  0.2005% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 5.26, residual support = 218.6:
    * O T HB3   LEU  104 - HG    LEU  104   2.92 +/- 0.10  99.638% * 97.9264% (0.76   5.26 218.62) =  99.998%  kept
          QG1   VAL   70 - HG    LEU  104   7.82 +/- 0.59   0.309% *  0.4703% (0.97   0.02   0.02) =   0.001%
          QD1   LEU   71 - HG    LEU  104  12.22 +/- 0.63   0.020% *  0.4830% (0.99   0.02   0.02) =   0.000%
          QD1   LEU  123 - HG    LEU  104  13.76 +/- 0.45   0.010% *  0.4830% (0.99   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  104  14.43 +/- 0.52   0.007% *  0.4370% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  104  12.86 +/- 0.75   0.015% *  0.2003% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 5.26, residual support = 218.6:
    * O T QD1   LEU  104 - HG    LEU  104   2.12 +/- 0.01  99.986% * 98.6381% (0.97   5.26 218.62) = 100.000%  kept
        T QD1   LEU   63 - HG    LEU  104  10.57 +/- 0.54   0.007% *  0.1598% (0.41   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU  104  11.59 +/- 0.48   0.004% *  0.1598% (0.41   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG    LEU  104  14.46 +/- 0.48   0.001% *  0.2970% (0.76   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  104  15.84 +/- 0.68   0.001% *  0.3372% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  104  17.22 +/- 0.95   0.000% *  0.3112% (0.80   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG    LEU  104  14.98 +/- 0.37   0.001% *  0.0969% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1289 (0.73, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.78, residual support = 218.6:
    * O T QD2   LEU  104 - HG    LEU  104   2.13 +/- 0.00  99.384% * 98.9505% (1.00   5.78 218.62) =  99.999%  kept
          QD1   LEU   98 - HG    LEU  104   5.57 +/- 0.48   0.361% *  0.1057% (0.31   0.02   7.79) =   0.000%
        T QG1   VAL   41 - HG    LEU  104   6.00 +/- 0.62   0.237% *  0.0677% (0.20   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU  104   9.35 +/- 0.74   0.016% *  0.1168% (0.34   0.02   0.02) =   0.000%
          QD1   ILE   19 - HG    LEU  104  15.50 +/- 0.77   0.001% *  0.3304% (0.97   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HG    LEU  104  14.71 +/- 1.31   0.001% *  0.1938% (0.57   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU  104  17.88 +/- 0.76   0.000% *  0.2352% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1290 (4.32, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.963, support = 5.31, residual support = 218.6:
    *   T HA    LEU  104 - QD1   LEU  104   3.33 +/- 0.61  99.533% * 98.5655% (0.96   5.31 218.62) = 100.000%  kept
        T HA    LEU  104 - QD1   LEU   63  10.82 +/- 0.37   0.115% *  0.0684% (0.18   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   73  11.74 +/- 1.08   0.087% *  0.0524% (0.14   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU  104  14.11 +/- 0.93   0.023% *  0.1670% (0.43   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   73  10.99 +/- 0.35   0.105% *  0.0308% (0.08   0.02   0.02) =   0.000%
        T HA    LEU  104 - QD1   LEU   73  13.45 +/- 0.31   0.031% *  0.0684% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   73  13.05 +/- 0.42   0.038% *  0.0471% (0.12   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU  104  17.45 +/- 1.00   0.006% *  0.2558% (0.66   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU  104  18.81 +/- 1.21   0.005% *  0.2846% (0.74   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   63  13.94 +/- 0.36   0.024% *  0.0308% (0.08   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   73  16.03 +/- 1.65   0.012% *  0.0444% (0.11   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   63  16.46 +/- 0.85   0.010% *  0.0524% (0.14   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU  104  22.24 +/- 1.81   0.002% *  0.2409% (0.62   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   63  17.60 +/- 0.37   0.006% *  0.0471% (0.12   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   63  20.71 +/- 1.44   0.002% *  0.0444% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.44 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 = 0.735, support = 5.42, residual support = 220.8:
    * O T HB2   LEU  104 - QD1   LEU  104   2.64 +/- 0.17  21.114% * 94.9349% (0.84   5.39 218.62) =  87.365%  kept
      O T HG    LEU   63 - QD1   LEU   63   2.10 +/- 0.02  78.169% *  3.7081% (0.03   5.66 235.72) =  12.633%  kept
        T QD1   ILE  119 - QD1   LEU   63   4.83 +/- 0.60   0.667% *  0.0423% (0.10   0.02   0.02) =   0.001%
          QG2   VAL  108 - QD1   LEU  104  11.49 +/- 0.39   0.003% *  0.3919% (0.93   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QD1   LEU   63   8.90 +/- 0.38   0.014% *  0.0649% (0.15   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   63   9.16 +/- 0.31   0.012% *  0.0722% (0.17   0.02   0.02) =   0.000%
        T QD1   ILE  119 - QD1   LEU  104  12.31 +/- 0.58   0.002% *  0.2299% (0.55   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63  10.01 +/- 0.53   0.007% *  0.0393% (0.09   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  11.42 +/- 0.88   0.004% *  0.0711% (0.17   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QD1   LEU   73  11.53 +/- 0.32   0.003% *  0.0649% (0.15   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   73  13.27 +/- 0.74   0.001% *  0.0722% (0.17   0.02   0.02) =   0.000%
        T QD1   ILE  119 - QD1   LEU   73  14.60 +/- 0.31   0.001% *  0.0423% (0.10   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU   73  12.55 +/- 1.14   0.002% *  0.0131% (0.03   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  19.22 +/- 0.41   0.000% *  0.2136% (0.51   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  20.06 +/- 0.39   0.000% *  0.0393% (0.09   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 0.69, support = 5.07, residual support = 219.8:
    * O T HB3   LEU  104 - QD1   LEU  104   2.32 +/- 0.37  58.891% * 87.0024% (0.74   5.00 218.62) =  92.855%  kept
      O T HB3   LEU   63 - QD1   LEU   63   2.47 +/- 0.16  38.425% * 10.2523% (0.07   5.95 235.72) =   7.139%  kept
          QD1   LEU   71 - QD1   LEU   73   4.23 +/- 0.32   1.813% *  0.0831% (0.18   0.02   0.02) =   0.003%
          QG1   VAL   70 - QD1   LEU  104   6.11 +/- 0.82   0.183% *  0.4395% (0.93   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD1   LEU   73   5.60 +/- 0.25   0.280% *  0.0752% (0.16   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   63   6.51 +/- 0.50   0.136% *  0.0809% (0.17   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   63   6.64 +/- 0.57   0.126% *  0.0831% (0.18   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   63   7.08 +/- 0.50   0.079% *  0.0752% (0.16   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104  10.51 +/- 0.59   0.007% *  0.4513% (0.96   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104  10.82 +/- 0.87   0.005% *  0.4513% (0.96   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   8.63 +/- 0.17   0.021% *  0.0809% (0.17   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104  10.64 +/- 0.93   0.006% *  0.1872% (0.40   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  12.48 +/- 0.65   0.002% *  0.4084% (0.87   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   63   9.45 +/- 0.50   0.013% *  0.0641% (0.14   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   63  10.56 +/- 0.59   0.007% *  0.0831% (0.18   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU   73  11.49 +/- 0.90   0.004% *  0.0345% (0.07   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   73  12.93 +/- 0.33   0.002% *  0.0641% (0.14   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  15.42 +/- 0.42   0.001% *  0.0831% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 5.26, residual support = 218.6:
    * O T HG    LEU  104 - QD1   LEU  104   2.12 +/- 0.01  96.827% * 97.4481% (0.97   5.26 218.62) =  99.999%  kept
          QG2   THR   26 - QD1   LEU   73   4.06 +/- 0.50   2.513% *  0.0135% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU  104   8.35 +/- 0.89   0.032% *  0.3706% (0.97   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  104   7.20 +/- 1.05   0.098% *  0.1144% (0.30   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   63   6.72 +/- 0.84   0.138% *  0.0683% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   73   6.15 +/- 0.43   0.178% *  0.0256% (0.07   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   63   7.30 +/- 0.80   0.082% *  0.0469% (0.12   0.02   6.05) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   63   7.87 +/- 0.85   0.046% *  0.0211% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   63   9.31 +/- 0.52   0.014% *  0.0669% (0.17   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   73   9.25 +/- 0.10   0.014% *  0.0659% (0.17   0.02  45.28) =   0.000%
          HD3   LYS+  74 - QD1   LEU   63   9.87 +/- 0.63   0.011% *  0.0659% (0.17   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU  104  12.56 +/- 0.98   0.003% *  0.2546% (0.66   0.02   0.02) =   0.000%
        T HG    LEU  104 - QD1   LEU   63  10.57 +/- 0.54   0.007% *  0.0683% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   63   8.55 +/- 0.45   0.024% *  0.0170% (0.04   0.02   1.35) =   0.000%
          HG2   LYS+  33 - QD1   LEU  104  13.06 +/- 1.23   0.002% *  0.1391% (0.36   0.02   0.02) =   0.000%
        T HG    LEU  104 - QD1   LEU   73  11.59 +/- 0.48   0.004% *  0.0683% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU  104  15.56 +/- 0.26   0.001% *  0.3632% (0.95   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU  104  17.71 +/- 0.71   0.000% *  0.3576% (0.93   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  104  14.59 +/- 0.54   0.001% *  0.0733% (0.19   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  104  16.47 +/- 0.85   0.000% *  0.0924% (0.24   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   73  14.76 +/- 0.52   0.001% *  0.0469% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   73  16.11 +/- 0.61   0.001% *  0.0683% (0.18   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   63  13.19 +/- 0.82   0.002% *  0.0135% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   73  13.87 +/- 0.68   0.001% *  0.0170% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   73  17.49 +/- 0.37   0.000% *  0.0669% (0.17   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   63  15.35 +/- 1.34   0.001% *  0.0256% (0.07   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   73  16.12 +/- 0.87   0.001% *  0.0211% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1294 (0.60, 0.60, 26.08 ppm):
    3 diagonal assignments:
    *     QD1   LEU  104 - QD1   LEU  104  (0.93)  kept
          QD1   LEU   73 - QD1   LEU   73  (0.07)  kept
          QD1   LEU   63 - QD1   LEU   63  (0.07)  kept
 
    Peak 1295 (0.73, 0.60, 26.08 ppm):
    21 chemical-shift based assignments, quality = 0.965, support = 5.43, residual support = 218.6:
    * O T QD2   LEU  104 - QD1   LEU  104   2.11 +/- 0.02  84.955% * 98.3476% (0.97   5.43 218.62) =  99.995%  kept
          QG1   VAL   43 - QD1   LEU   73   3.39 +/- 0.96  12.080% *  0.0227% (0.06   0.02   9.57) =   0.003%
          QD1   ILE   19 - QD1   LEU   73   4.36 +/- 0.50   1.492% *  0.0644% (0.17   0.02   5.32) =   0.001%
          QD1   LEU   98 - QD1   LEU  104   5.85 +/- 0.63   0.264% *  0.1118% (0.30   0.02   7.79) =   0.000%
        T QG1   VAL   41 - QD1   LEU  104   5.75 +/- 0.44   0.247% *  0.0717% (0.19   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   73   4.96 +/- 0.31   0.535% *  0.0132% (0.04   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QD1   LEU   63   6.51 +/- 0.94   0.160% *  0.0378% (0.10   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   8.67 +/- 0.71   0.021% *  0.1235% (0.33   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QD1   LEU   73   7.14 +/- 0.35   0.059% *  0.0378% (0.10   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   7.18 +/- 0.49   0.061% *  0.0227% (0.06   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   73   7.52 +/- 0.67   0.049% *  0.0206% (0.05   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   73   8.88 +/- 0.24   0.016% *  0.0458% (0.12   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   63   9.19 +/- 0.75   0.015% *  0.0458% (0.12   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   63   9.74 +/- 0.47   0.009% *  0.0667% (0.18   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU  104  13.38 +/- 0.74   0.001% *  0.3495% (0.93   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QD1   LEU  104  12.53 +/- 1.05   0.002% *  0.2050% (0.55   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   73  10.99 +/- 0.58   0.004% *  0.0667% (0.18   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   63   9.61 +/- 1.09   0.012% *  0.0206% (0.05   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   63  11.57 +/- 0.71   0.003% *  0.0644% (0.17   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63   9.32 +/- 0.38   0.012% *  0.0132% (0.04   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU  104  15.66 +/- 0.65   0.001% *  0.2487% (0.66   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 = 5.81, residual support = 218.6:
    *   T HA    LEU  104 - QD2   LEU  104   2.17 +/- 0.48  99.889% * 98.8798% (1.00   5.81 218.62) = 100.000%  kept
        T HA    LEU  104 - QG1   VAL   41   8.37 +/- 0.32   0.058% *  0.0183% (0.05   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   VAL   18  10.08 +/- 0.79   0.024% *  0.0401% (0.12   0.02   0.02) =   0.000%
          HA    TRP   87 - QD2   LEU  104  13.40 +/- 0.66   0.004% *  0.1530% (0.45   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD2   LEU  104  16.67 +/- 0.75   0.001% *  0.2345% (0.69   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   VAL   18  14.60 +/- 1.76   0.005% *  0.0339% (0.10   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD2   LEU  104  20.22 +/- 1.05   0.000% *  0.2609% (0.76   0.02   0.02) =   0.000%
          HA    TRP   87 - QG1   VAL   41  11.46 +/- 0.29   0.010% *  0.0082% (0.02   0.02   0.02) =   0.000%
        T HA    LEU  104 - QG2   VAL   18  16.13 +/- 1.05   0.001% *  0.0523% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG1   VAL   41  14.17 +/- 1.10   0.003% *  0.0140% (0.04   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG1   VAL   41  14.18 +/- 0.36   0.003% *  0.0126% (0.04   0.02   0.02) =   0.000%
          HA    TRP   87 - QG2   VAL   18  15.94 +/- 0.70   0.001% *  0.0235% (0.07   0.02   0.02) =   0.000%
          HA    ALA   12 - QD2   LEU  104  23.70 +/- 1.62   0.000% *  0.2208% (0.65   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   VAL   18  18.73 +/- 0.59   0.000% *  0.0360% (0.11   0.02   0.02) =   0.000%
          HA    ALA   12 - QG1   VAL   41  17.94 +/- 1.68   0.001% *  0.0119% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1297 (1.04, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 6.07, residual support = 218.6:
    * O T HB2   LEU  104 - QD2   LEU  104   3.07 +/- 0.19  97.865% * 98.9192% (0.87   6.07 218.62) =  99.999%  kept
          QG2   VAL  108 - QD2   LEU  104  10.97 +/- 0.31   0.051% *  0.3628% (0.97   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QG1   VAL   41   6.66 +/- 0.30   1.047% *  0.0175% (0.05   0.02   0.02) =   0.000%
          HG    LEU   63 - QG2   VAL   18   7.83 +/- 1.33   0.805% *  0.0101% (0.03   0.02   0.02) =   0.000%
          QD1   ILE  119 - QD2   LEU  104  13.04 +/- 0.45   0.017% *  0.2128% (0.57   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   18  10.14 +/- 0.61   0.087% *  0.0327% (0.09   0.02   0.02) =   0.000%
          HG    LEU   63 - QD2   LEU  104  12.58 +/- 0.79   0.023% *  0.0658% (0.18   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QG2   VAL   18  13.76 +/- 1.08   0.015% *  0.0501% (0.13   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   VAL   18  13.97 +/- 0.84   0.013% *  0.0557% (0.15   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG1   VAL   41  12.51 +/- 0.65   0.024% *  0.0195% (0.05   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD2   LEU  104  19.62 +/- 0.40   0.001% *  0.1978% (0.53   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG2   VAL   18  15.35 +/- 0.52   0.007% *  0.0304% (0.08   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   41  14.08 +/- 0.20   0.011% *  0.0114% (0.03   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   41  12.08 +/- 0.99   0.033% *  0.0035% (0.01   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   41  20.58 +/- 0.39   0.001% *  0.0106% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 0.556, support = 4.91, residual support = 171.8:
    * O T HB3   LEU  104 - QD2   LEU  104   2.63 +/- 0.26  21.128% * 86.2381% (0.76   5.37 218.62) =  66.747%  kept
      O T QG1   VAL   18 - QG2   VAL   18   2.06 +/- 0.03  78.301% * 11.5923% (0.14   4.00  77.97) =  33.252%  kept
          QG1   VAL   70 - QD2   LEU  104   7.54 +/- 0.67   0.038% *  0.4059% (0.97   0.02   0.02) =   0.001%
          QD1   LEU   71 - QG1   VAL   41   5.60 +/- 0.34   0.211% *  0.0224% (0.05   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG2   VAL   18   7.22 +/- 0.60   0.053% *  0.0641% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   6.14 +/- 0.22   0.115% *  0.0218% (0.05   0.02   2.72) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   7.84 +/- 0.82   0.034% *  0.0624% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   7.13 +/- 0.99   0.068% *  0.0266% (0.06   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104  11.47 +/- 0.48   0.003% *  0.4169% (0.99   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104  11.79 +/- 0.62   0.002% *  0.4169% (0.99   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG1   VAL   41   7.93 +/- 0.31   0.025% *  0.0173% (0.04   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  13.37 +/- 0.52   0.001% *  0.3772% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  11.88 +/- 0.73   0.002% *  0.1729% (0.41   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QG1   VAL   41   8.94 +/- 0.40   0.012% *  0.0203% (0.05   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  11.46 +/- 0.65   0.003% *  0.0641% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  10.96 +/- 0.79   0.004% *  0.0093% (0.02   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  14.77 +/- 1.13   0.001% *  0.0494% (0.12   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  13.69 +/- 0.31   0.001% *  0.0224% (0.05   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 = 5.78, residual support = 218.6:
    * O T HG    LEU  104 - QD2   LEU  104   2.13 +/- 0.00  98.689% * 97.9802% (1.00   5.78 218.62) =  99.999%  kept
          HD3   LYS+  74 - QG2   VAL   18   5.64 +/- 0.93   0.517% *  0.0503% (0.15   0.02   0.99) =   0.000%
          HB3   LYS+ 121 - QD2   LEU  104   9.07 +/- 0.62   0.018% *  0.3390% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  104   7.79 +/- 0.91   0.054% *  0.1046% (0.31   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG1   VAL   41   6.00 +/- 0.62   0.236% *  0.0182% (0.05   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QG2   VAL   18   5.98 +/- 0.79   0.254% *  0.0130% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG1   VAL   41   6.65 +/- 1.01   0.154% *  0.0068% (0.02   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG2   VAL   18   9.41 +/- 0.74   0.016% *  0.0358% (0.11   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  13.91 +/- 0.82   0.001% *  0.2328% (0.69   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU  104  15.46 +/- 0.18   0.001% *  0.3323% (0.98   0.02   0.02) =   0.000%
          QG2   THR   26 - QG2   VAL   18   8.83 +/- 0.44   0.020% *  0.0103% (0.03   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD2   LEU  104  13.94 +/- 1.22   0.001% *  0.1272% (0.38   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD2   LEU  104  18.49 +/- 0.47   0.000% *  0.3271% (0.97   0.02   0.02) =   0.000%
          QG2   THR   26 - QG1   VAL   41   8.85 +/- 0.44   0.020% *  0.0036% (0.01   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG2   VAL   18  14.13 +/- 0.77   0.001% *  0.0521% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG2   VAL   18  12.07 +/- 0.74   0.003% *  0.0195% (0.06   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG2   VAL   18  14.71 +/- 1.31   0.001% *  0.0521% (0.15   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  15.12 +/- 0.72   0.001% *  0.0671% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG1   VAL   41  12.92 +/- 0.60   0.002% *  0.0182% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG2   VAL   18  15.64 +/- 0.80   0.001% *  0.0511% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  17.93 +/- 0.80   0.000% *  0.0845% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG1   VAL   41  13.80 +/- 0.34   0.001% *  0.0176% (0.05   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  13.86 +/- 0.48   0.001% *  0.0125% (0.04   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG1   VAL   41  12.40 +/- 0.90   0.003% *  0.0056% (0.02   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG2   VAL   18  15.06 +/- 1.09   0.001% *  0.0161% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG1   VAL   41  17.16 +/- 0.32   0.000% *  0.0178% (0.05   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QG1   VAL   41  15.20 +/- 0.57   0.001% *  0.0045% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 5.43, residual support = 218.6:
    * O T QD1   LEU  104 - QD2   LEU  104   2.11 +/- 0.02  98.751% * 98.3377% (0.97   5.43 218.62) = 100.000%  kept
        T QD1   LEU  104 - QG1   VAL   41   5.75 +/- 0.44   0.282% *  0.0194% (0.05   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG1   VAL   41   4.96 +/- 0.31   0.633% *  0.0083% (0.02   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG2   VAL   18   6.51 +/- 0.94   0.181% *  0.0237% (0.06   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104   9.74 +/- 0.47   0.011% *  0.1542% (0.41   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG2   VAL   18   7.14 +/- 0.35   0.068% *  0.0237% (0.06   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  10.99 +/- 0.58   0.005% *  0.1542% (0.41   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU  104  12.57 +/- 0.48   0.002% *  0.2867% (0.76   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU  104  14.20 +/- 0.76   0.001% *  0.3254% (0.87   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   18  10.45 +/- 0.79   0.007% *  0.0441% (0.12   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG2   VAL   18  10.88 +/- 0.77   0.006% *  0.0462% (0.12   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU  104  15.49 +/- 0.87   0.001% *  0.3004% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG1   VAL   41   9.69 +/- 0.43   0.011% *  0.0175% (0.05   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD2   LEU  104  13.37 +/- 0.40   0.002% *  0.0936% (0.25   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG2   VAL   18  12.53 +/- 1.05   0.003% *  0.0556% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG2   VAL   18  12.44 +/- 0.73   0.003% *  0.0500% (0.13   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL   41  10.42 +/- 0.68   0.007% *  0.0161% (0.04   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   9.32 +/- 0.38   0.014% *  0.0083% (0.02   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG2   VAL   18  10.53 +/- 0.55   0.007% *  0.0144% (0.04   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG1   VAL   41  11.28 +/- 0.37   0.004% *  0.0050% (0.01   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG1   VAL   41  13.75 +/- 0.39   0.001% *  0.0154% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.46 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 = 3.2, residual support = 40.4:
    * O T HB2   ASP- 105 - HA    ASP- 105   2.45 +/- 0.16  99.938% * 97.2712% (0.95   3.20  40.39) = 100.000%  kept
          HB2   MET   96 - HA    ASP- 105   9.02 +/- 0.26   0.044% *  0.3894% (0.61   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP- 105  13.82 +/- 0.41   0.003% *  0.6293% (0.98   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP- 105  11.91 +/- 0.34   0.008% *  0.1124% (0.18   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    ASP- 105  13.03 +/- 0.30   0.005% *  0.1429% (0.22   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP- 105  18.93 +/- 0.52   0.001% *  0.3894% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ASP- 105  22.12 +/- 0.42   0.000% *  0.6406% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP- 105  23.52 +/- 0.47   0.000% *  0.3125% (0.49   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    ASP- 105  20.19 +/- 0.45   0.000% *  0.1124% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.21 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 = 3.2, residual support = 40.4:
    * O T HA    ASP- 105 - HB2   ASP- 105   2.45 +/- 0.16  99.999% * 98.6508% (0.95   3.20  40.39) = 100.000%  kept
          HA    LEU   80 - HB2   ASP- 105  22.93 +/- 0.75   0.000% *  0.4707% (0.72   0.02   0.02) =   0.000%
          HB    THR   23 - HB2   ASP- 105  25.51 +/- 0.39   0.000% *  0.5524% (0.85   0.02   0.02) =   0.000%
          HA    THR   23 - HB2   ASP- 105  24.02 +/- 0.45   0.000% *  0.2312% (0.36   0.02   0.02) =   0.000%
          HA    ASP-  78 - HB2   ASP- 105  23.87 +/- 0.39   0.000% *  0.0950% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1305 (2.23, 2.23, 47.73 ppm):
    1 diagonal assignment:
    *     HB2   ASP- 105 - HB2   ASP- 105  (0.89)  kept
 
    Peak 1306 (5.63, 5.63, 56.31 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 106 - HA    LYS+ 106  (1.00)  kept
 
    Peak 1307 (1.87, 5.63, 56.31 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 131.6:
    * O T QB    LYS+ 106 - HA    LYS+ 106   2.20 +/- 0.13  97.501% * 97.3622% (1.00   6.21 131.61) =  99.993%  kept
          HB3   ASP- 105 - HA    LYS+ 106   4.23 +/- 0.36   2.420% *  0.2722% (0.87   0.02  20.85) =   0.007%
          HB    ILE  103 - HA    LYS+ 106   7.55 +/- 0.49   0.070% *  0.2513% (0.80   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+ 106  12.69 +/- 0.25   0.003% *  0.2398% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+ 106  15.57 +/- 0.73   0.001% *  0.3076% (0.98   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+ 106  13.00 +/- 0.53   0.003% *  0.0872% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+ 106  17.56 +/- 0.44   0.000% *  0.2968% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+ 106  17.72 +/- 0.39   0.000% *  0.3131% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+ 106  16.21 +/- 0.53   0.001% *  0.1290% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+ 106  19.43 +/- 0.46   0.000% *  0.2398% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+ 106  18.77 +/- 0.45   0.000% *  0.1903% (0.61   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+ 106  19.98 +/- 0.41   0.000% *  0.2621% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+ 106  16.87 +/- 0.36   0.001% *  0.0484% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 5.06, residual support = 131.6:
    * O T HG2   LYS+ 106 - HA    LYS+ 106   3.85 +/- 0.30  99.381% * 99.1828% (1.00   5.06 131.61) = 100.000%  kept
          HB3   LYS+ 111 - HA    LYS+ 106   9.21 +/- 0.20   0.571% *  0.0605% (0.15   0.02   0.02) =   0.000%
        T QG    LYS+  81 - HA    LYS+ 106  17.48 +/- 0.44   0.013% *  0.3885% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+ 106  19.05 +/- 1.14   0.008% *  0.2996% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+ 106  15.39 +/- 0.52   0.028% *  0.0686% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1310 (1.70, 5.63, 56.31 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.8, residual support = 131.6:
    *   T QD    LYS+ 106 - HA    LYS+ 106   3.90 +/- 0.49  98.041% * 97.7688% (1.00   4.80 131.61) =  99.996%  kept
          QG1   ILE   56 - HA    LYS+ 106   9.42 +/- 0.24   0.608% *  0.1983% (0.49   0.02   0.02) =   0.001%
        T QD    LYS+  99 - HA    LYS+ 106  11.50 +/- 0.45   0.191% *  0.4065% (1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HA    LYS+ 106  12.06 +/- 0.55   0.137% *  0.3403% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 106  12.67 +/- 1.10   0.117% *  0.3854% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LYS+ 106  10.69 +/- 0.32   0.289% *  0.1529% (0.38   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LYS+ 106  11.04 +/- 1.50   0.377% *  0.1016% (0.25   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+ 106  12.31 +/- 0.30   0.120% *  0.2959% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 106  12.85 +/- 0.21   0.092% *  0.1675% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 106  15.65 +/- 0.45   0.029% *  0.1827% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.81 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 = 0.897, support = 4.42, residual support = 86.4:
    *   T QE    LYS+ 106 - HA    LYS+ 106   4.37 +/- 0.38  46.782% * 65.0734% (1.00   4.91 131.61) =  62.510%  kept
          HB2   PHE   97 - HA    LYS+ 106   4.26 +/- 0.12  52.983% * 34.4583% (0.73   3.58  11.08) =  37.489%  kept
          HB3   PHE   60 - HA    LYS+ 106  10.78 +/- 0.29   0.204% *  0.2505% (0.95   0.02   0.02) =   0.001%
          HB3   TRP   27 - HA    LYS+ 106  15.94 +/- 0.57   0.020% *  0.1819% (0.69   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 106  17.41 +/- 0.63   0.012% *  0.0358% (0.14   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 = 6.21, residual support = 131.6:
    * O T HA    LYS+ 106 - QB    LYS+ 106   2.20 +/- 0.13 100.000% *100.0000% (1.00   6.21 131.61) = 100.000%  kept
    Distance limit 3.76 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 = 5.13, residual support = 131.6:
    * O T HG2   LYS+ 106 - QB    LYS+ 106   2.29 +/- 0.13  99.958% * 99.1935% (1.00   5.13 131.61) = 100.000%  kept
          HB3   LYS+ 111 - QB    LYS+ 106   8.57 +/- 0.24   0.038% *  0.0597% (0.15   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QB    LYS+ 106  15.18 +/- 0.66   0.001% *  0.3834% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+ 106  17.49 +/- 1.07   0.001% *  0.2956% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+ 106  14.76 +/- 0.76   0.002% *  0.0677% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 4.96, residual support = 131.6:
    * O T QD    LYS+ 106 - QB    LYS+ 106   2.33 +/- 0.19  99.872% * 97.8388% (1.00   4.96 131.61) = 100.000%  kept
          QD    LYS+ 102 - QB    LYS+ 106   9.03 +/- 1.37   0.044% *  0.0984% (0.25   0.02   0.02) =   0.000%
        T QG1   ILE   56 - QB    LYS+ 106   9.62 +/- 0.33   0.023% *  0.1921% (0.49   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QB    LYS+ 106  10.83 +/- 0.44   0.010% *  0.3938% (1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 106  10.80 +/- 0.61   0.012% *  0.3297% (0.84   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 106  11.21 +/- 0.35   0.009% *  0.2866% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 106  11.94 +/- 1.19   0.007% *  0.3733% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QB    LYS+ 106  10.00 +/- 0.37   0.017% *  0.1481% (0.38   0.02   0.02) =   0.000%
          HG3   PRO   93 - QB    LYS+ 106  12.24 +/- 0.35   0.005% *  0.1623% (0.41   0.02   0.02) =   0.000%
        T HB2   LEU  123 - QB    LYS+ 106  15.72 +/- 0.32   0.001% *  0.1769% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 1.0, support = 5.07, residual support = 131.6:
    *   T QE    LYS+ 106 - QB    LYS+ 106   2.56 +/- 0.59  95.574% * 99.0264% (1.00   5.07 131.61) =  99.987%  kept
        T HB2   PHE   97 - QB    LYS+ 106   4.79 +/- 0.24   4.386% *  0.2834% (0.73   0.02  11.08) =   0.013%
          HB3   PHE   60 - QB    LYS+ 106  11.27 +/- 0.45   0.027% *  0.3692% (0.95   0.02   0.02) =   0.000%
          HB3   TRP   27 - QB    LYS+ 106  14.21 +/- 0.79   0.008% *  0.2681% (0.69   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+ 106  15.36 +/- 0.67   0.004% *  0.0528% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 5.06, residual support = 131.6:
    * O T HA    LYS+ 106 - HG2   LYS+ 106   3.85 +/- 0.30  99.979% * 99.6744% (1.00   5.06 131.61) = 100.000%  kept
        T HA    LYS+ 106 - HG2   LYS+  33  19.05 +/- 1.14   0.008% *  0.2389% (0.61   0.02   0.02) =   0.000%
        T HA    LYS+ 106 - QG    LYS+  81  17.48 +/- 0.44   0.013% *  0.0867% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.70 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 = 0.733, support = 5.21, residual support = 135.2:
    * O T QB    LYS+ 106 - HG2   LYS+ 106   2.29 +/- 0.13  27.064% * 52.9939% (1.00   5.13 131.61) =  50.516%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.26 +/- 0.08  28.483% * 33.6292% (0.57   5.67 156.51) =  33.737%  kept
      O T QB    LYS+  81 - QG    LYS+  81   2.10 +/- 0.02  43.835% * 10.1971% (0.22   4.49 101.13) =  15.744%  kept
          HB    ILE  103 - HG2   LYS+ 106   5.22 +/- 0.94   0.332% *  0.1655% (0.80   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HG2   LYS+ 106   6.24 +/- 0.38   0.070% *  0.1793% (0.87   0.02  20.85) =   0.000%
          HB3   GLN   30 - HG2   LYS+  33   5.74 +/- 0.78   0.151% *  0.0515% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   6.91 +/- 1.53   0.057% *  0.0446% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  10.57 +/- 1.09   0.003% *  0.0760% (0.37   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  15.94 +/- 1.13   0.000% *  0.2026% (0.98   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  15.70 +/- 0.70   0.000% *  0.1579% (0.76   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  14.38 +/- 0.98   0.000% *  0.0575% (0.28   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  18.09 +/- 1.02   0.000% *  0.2062% (1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  16.32 +/- 1.38   0.000% *  0.0958% (0.46   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  18.58 +/- 1.00   0.000% *  0.1955% (0.95   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  17.49 +/- 1.07   0.000% *  0.1253% (0.61   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  15.18 +/- 0.66   0.000% *  0.0455% (0.22   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  12.59 +/- 0.71   0.001% *  0.0126% (0.06   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  17.58 +/- 1.28   0.000% *  0.0850% (0.41   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  18.43 +/- 1.35   0.000% *  0.1087% (0.53   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.19 +/- 1.11   0.000% *  0.1004% (0.49   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  19.22 +/- 0.90   0.000% *  0.1253% (0.61   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  20.63 +/- 0.52   0.000% *  0.1251% (0.61   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  15.20 +/- 0.75   0.000% *  0.0187% (0.09   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  16.97 +/- 0.48   0.000% *  0.0348% (0.17   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  17.50 +/- 0.80   0.000% *  0.0380% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  22.24 +/- 0.53   0.000% *  0.1579% (0.76   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  18.02 +/- 0.40   0.000% *  0.0430% (0.21   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  22.99 +/- 0.82   0.000% *  0.1726% (0.84   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  19.46 +/- 0.62   0.000% *  0.0364% (0.18   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  20.63 +/- 0.60   0.000% *  0.0394% (0.19   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  25.20 +/- 0.90   0.000% *  0.1229% (0.59   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  20.35 +/- 0.71   0.000% *  0.0319% (0.15   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  25.29 +/- 0.97   0.000% *  0.0958% (0.46   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  28.38 +/- 1.10   0.000% *  0.1047% (0.51   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.93 +/- 0.79   0.000% *  0.0348% (0.17   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  27.37 +/- 0.35   0.000% *  0.0348% (0.17   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  26.54 +/- 0.39   0.000% *  0.0276% (0.13   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  25.96 +/- 1.06   0.000% *  0.0193% (0.09   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  22.74 +/- 0.44   0.000% *  0.0070% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 4.14, residual support = 131.6:
    * O T QD    LYS+ 106 - HG2   LYS+ 106   2.39 +/- 0.13  99.848% * 95.0247% (1.00   4.14 131.61) = 100.000%  kept
          QD    LYS+ 102 - HG2   LYS+ 106   9.04 +/- 1.63   0.067% *  0.1146% (0.25   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+  33  10.21 +/- 0.72   0.020% *  0.2636% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+ 106  12.03 +/- 0.39   0.006% *  0.4584% (1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  33  12.04 +/- 1.64   0.009% *  0.2780% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+ 106  11.19 +/- 0.49   0.010% *  0.1724% (0.38   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+ 106  12.24 +/- 0.64   0.006% *  0.2236% (0.49   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+ 106  13.45 +/- 0.92   0.004% *  0.3336% (0.73   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 106  13.77 +/- 1.04   0.003% *  0.3838% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 106  14.80 +/- 1.22   0.002% *  0.4346% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+  33  12.97 +/- 1.64   0.006% *  0.1046% (0.23   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG    LYS+  81  12.84 +/- 0.42   0.004% *  0.0956% (0.21   0.02   0.02) =   0.000%
          HB3   MET   92 - QG    LYS+  81  13.13 +/- 0.79   0.004% *  0.0844% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 106  15.51 +/- 0.79   0.002% *  0.1889% (0.41   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  33  18.70 +/- 1.46   0.001% *  0.2787% (0.61   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 106  17.88 +/- 0.69   0.001% *  0.2060% (0.45   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QG    LYS+  81  16.18 +/- 1.15   0.001% *  0.1011% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG    LYS+  81  14.21 +/- 0.53   0.002% *  0.0416% (0.09   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+  33  16.60 +/- 1.13   0.001% *  0.0695% (0.15   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG    LYS+  81  15.72 +/- 0.41   0.001% *  0.0492% (0.11   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+  33  21.27 +/- 0.92   0.000% *  0.1356% (0.30   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG    LYS+  81  22.06 +/- 0.47   0.000% *  0.1009% (0.22   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QG    LYS+  81  21.30 +/- 0.67   0.000% *  0.0734% (0.16   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  33  26.12 +/- 0.93   0.000% *  0.2328% (0.51   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  33  24.94 +/- 0.90   0.000% *  0.1146% (0.25   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  33  25.88 +/- 1.66   0.000% *  0.1249% (0.27   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG    LYS+  81  20.72 +/- 1.02   0.000% *  0.0252% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG    LYS+  81  22.54 +/- 0.36   0.000% *  0.0379% (0.08   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+  33  30.43 +/- 1.07   0.000% *  0.2023% (0.44   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG    LYS+  81  29.47 +/- 0.47   0.000% *  0.0453% (0.10   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1329 (2.98, 1.56, 25.37 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 4.25, residual support = 131.6:
    * O T QE    LYS+ 106 - HG2   LYS+ 106   2.55 +/- 0.39  98.901% * 97.5279% (1.00   4.25 131.61) =  99.997%  kept
          HB2   PHE   97 - HG2   LYS+ 106   6.02 +/- 0.30   0.781% *  0.3335% (0.73   0.02  11.08) =   0.003%
          HB2   ASN   35 - HG2   LYS+  33   7.51 +/- 0.66   0.249% *  0.0377% (0.08   0.02   0.69) =   0.000%
          HB3   TRP   27 - HG2   LYS+  33  11.04 +/- 0.40   0.021% *  0.1913% (0.42   0.02   0.02) =   0.000%
          HB3   TRP   27 - QG    LYS+  81  10.40 +/- 0.30   0.030% *  0.0694% (0.15   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+ 106  14.32 +/- 0.67   0.004% *  0.4345% (0.95   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+ 106  17.09 +/- 1.32   0.002% *  0.3155% (0.69   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  33  16.29 +/- 1.23   0.002% *  0.2023% (0.44   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+  33  19.30 +/- 1.02   0.001% *  0.2635% (0.57   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - HG2   LYS+  33  19.59 +/- 1.15   0.001% *  0.2785% (0.61   0.02   0.02) =   0.000%
          HB3   PHE   60 - QG    LYS+  81  16.51 +/- 0.41   0.002% *  0.0956% (0.21   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - QG    LYS+  81  16.27 +/- 1.30   0.002% *  0.1011% (0.22   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  17.38 +/- 1.17   0.002% *  0.0622% (0.14   0.02   0.02) =   0.000%
          HB2   PHE   97 - QG    LYS+  81  19.43 +/- 0.38   0.001% *  0.0734% (0.16   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  20.56 +/- 0.71   0.001% *  0.0137% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 131.6:
    *   T HA    LYS+ 106 - QD    LYS+ 106   3.90 +/- 0.49  99.805% * 99.6626% (0.99   4.80 131.61) =  99.999%  kept
        T HA    LYS+ 106 - QD    LYS+  99  11.50 +/- 0.45   0.195% *  0.3374% (0.81   0.02   0.02) =   0.001%
    Distance limit 5.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1331 (1.87, 1.70, 30.09 ppm):
    26 chemical-shift based assignments, quality = 0.991, support = 4.96, residual support = 131.6:
    * O T QB    LYS+ 106 - QD    LYS+ 106   2.33 +/- 0.19  97.338% * 93.9206% (0.99   4.96 131.61) =  99.992%  kept
          HB    ILE  103 - QD    LYS+ 106   5.16 +/- 1.03   1.638% *  0.3034% (0.79   0.02   0.02) =   0.005%
          HB3   ASP- 105 - QD    LYS+ 106   6.21 +/- 0.50   0.406% *  0.3286% (0.86   0.02  20.85) =   0.001%
          HB3   LYS+  38 - QD    LYS+  99   6.10 +/- 0.79   0.519% *  0.1867% (0.49   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD    LYS+  99   8.75 +/- 0.57   0.038% *  0.2670% (0.70   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  99   9.88 +/- 0.42   0.018% *  0.2464% (0.64   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QD    LYS+  99  10.83 +/- 0.44   0.010% *  0.3078% (0.81   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  99  11.25 +/- 0.67   0.009% *  0.2911% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+ 106  13.89 +/- 1.16   0.003% *  0.3714% (0.97   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  99  12.70 +/- 0.64   0.004% *  0.2352% (0.62   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+ 106  13.89 +/- 0.88   0.003% *  0.2895% (0.76   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+ 106  12.47 +/- 0.99   0.005% *  0.1053% (0.28   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  99  13.30 +/- 1.13   0.004% *  0.1265% (0.33   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+ 106  16.02 +/- 1.11   0.001% *  0.3780% (0.99   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+ 106  17.08 +/- 1.29   0.001% *  0.3584% (0.94   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+ 106  16.14 +/- 1.49   0.001% *  0.1558% (0.41   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+ 106  17.80 +/- 1.00   0.001% *  0.2298% (0.60   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+ 106  20.47 +/- 0.95   0.000% *  0.3165% (0.83   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+ 106  20.42 +/- 0.73   0.000% *  0.2895% (0.76   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+  99  20.58 +/- 0.64   0.000% *  0.2352% (0.62   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  99  22.27 +/- 0.46   0.000% *  0.3071% (0.80   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  99  23.53 +/- 0.64   0.000% *  0.3017% (0.79   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+ 106  18.25 +/- 0.79   0.001% *  0.0585% (0.15   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  99  26.01 +/- 0.80   0.000% *  0.2571% (0.67   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  99  22.63 +/- 0.60   0.000% *  0.0856% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  99  20.82 +/- 0.65   0.000% *  0.0475% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 4.14, residual support = 131.6:
    * O T HG2   LYS+ 106 - QD    LYS+ 106   2.39 +/- 0.13  99.946% * 97.8285% (0.99   4.14 131.61) = 100.000%  kept
          HB3   LYS+ 111 - QD    LYS+ 106   9.27 +/- 1.02   0.035% *  0.0730% (0.15   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  99  12.04 +/- 1.64   0.009% *  0.2937% (0.62   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - QD    LYS+  99  12.03 +/- 0.39   0.006% *  0.3843% (0.81   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+ 106  16.18 +/- 1.15   0.001% *  0.4688% (0.98   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+ 106  18.70 +/- 1.46   0.001% *  0.3615% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+ 106  16.50 +/- 1.07   0.001% *  0.0828% (0.17   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+  99  22.06 +/- 0.47   0.000% *  0.3809% (0.80   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  99  19.29 +/- 0.83   0.000% *  0.0673% (0.14   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  99  19.11 +/- 0.55   0.000% *  0.0593% (0.12   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1334 (1.70, 1.70, 30.09 ppm):
    2 diagonal assignments:
    *     QD    LYS+ 106 - QD    LYS+ 106  (1.00)  kept
          QD    LYS+  99 - QD    LYS+  99  (0.80)  kept
 
    Peak 1335 (2.98, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.1, residual support = 131.6:
    * O T QE    LYS+ 106 - QD    LYS+ 106   2.09 +/- 0.03  99.739% * 96.6761% (0.99   3.10 131.61) =  99.999%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.14 +/- 0.52   0.203% *  0.4526% (0.72   0.02  11.08) =   0.001%
          HB2   PHE   97 - QD    LYS+  99   7.72 +/- 0.50   0.043% *  0.3677% (0.58   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - QD    LYS+  99  12.07 +/- 0.93   0.003% *  0.5063% (0.81   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+ 106  12.96 +/- 0.87   0.002% *  0.5896% (0.94   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  99  10.22 +/- 0.49   0.008% *  0.0685% (0.11   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  15.52 +/- 1.67   0.001% *  0.4281% (0.68   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+  99  16.19 +/- 0.80   0.000% *  0.4789% (0.76   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  16.55 +/- 0.77   0.000% *  0.3478% (0.55   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 106  16.04 +/- 1.54   0.001% *  0.0844% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 4.91, residual support = 131.6:
    *   T HA    LYS+ 106 - QE    LYS+ 106   4.37 +/- 0.38 100.000% *100.0000% (1.00   4.91 131.61) = 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 = 1.0, support = 5.07, residual support = 131.6:
    *   T QB    LYS+ 106 - QE    LYS+ 106   2.56 +/- 0.59  95.514% * 96.7929% (1.00   5.07 131.61) =  99.984%  kept
        T HB3   ASP- 105 - QE    LYS+ 106   6.66 +/- 1.17   3.169% *  0.3310% (0.87   0.02  20.85) =   0.011%
          HB    ILE  103 - QE    LYS+ 106   5.92 +/- 0.54   1.282% *  0.3055% (0.80   0.02   0.02) =   0.004%
          HB3   GLN   90 - QE    LYS+ 106  13.68 +/- 1.66   0.006% *  0.3740% (0.98   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+ 106  13.77 +/- 0.52   0.007% *  0.2916% (0.76   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+ 106  12.02 +/- 1.07   0.013% *  0.1061% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+ 106  16.08 +/- 1.30   0.002% *  0.3807% (1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QE    LYS+ 106  17.85 +/- 0.89   0.002% *  0.3609% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+ 106  18.69 +/- 1.00   0.001% *  0.2314% (0.61   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+ 106  16.92 +/- 1.03   0.002% *  0.1569% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+ 106  21.06 +/- 0.98   0.001% *  0.2916% (0.76   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+ 106  20.37 +/- 0.73   0.001% *  0.3187% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   58 - QE    LYS+ 106  18.33 +/- 0.73   0.002% *  0.0589% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1339 (1.56, 2.98, 42.19 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.25, residual support = 131.6:
    * O T HG2   LYS+ 106 - QE    LYS+ 106   2.55 +/- 0.39  99.899% * 99.0278% (1.00   4.25 131.61) = 100.000%  kept
          HB3   LYS+ 111 - QE    LYS+ 106   8.79 +/- 0.59   0.097% *  0.0720% (0.15   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QE    LYS+ 106  16.27 +/- 1.30   0.002% *  0.4622% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QE    LYS+ 106  19.59 +/- 1.15   0.001% *  0.3564% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+ 106  16.86 +/- 0.78   0.002% *  0.0817% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1340 (1.70, 2.98, 42.19 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.1, residual support = 131.6:
    * O T QD    LYS+ 106 - QE    LYS+ 106   2.09 +/- 0.03  99.946% * 96.7072% (0.99   3.10 131.61) = 100.000%  kept
          QD    LYS+ 102 - QE    LYS+ 106   9.05 +/- 1.55   0.029% *  0.1245% (0.20   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QE    LYS+ 106  10.97 +/- 0.75   0.005% *  0.4069% (0.65   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 106  11.56 +/- 1.10   0.004% *  0.4807% (0.76   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QE    LYS+ 106  12.07 +/- 0.93   0.003% *  0.6276% (1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 106  10.81 +/- 0.45   0.005% *  0.3561% (0.57   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 106  11.52 +/- 0.90   0.004% *  0.2820% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 106  14.27 +/- 0.99   0.001% *  0.5641% (0.90   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 106  13.51 +/- 0.66   0.001% *  0.2146% (0.34   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 106  16.44 +/- 1.53   0.001% *  0.2361% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 56.6:
    * O T HB    VAL  107 - HA    VAL  107   2.94 +/- 0.02  99.844% * 97.8083% (0.73   3.31  56.62) = 100.000%  kept
          QE    LYS+ 112 - HA    VAL  107  10.39 +/- 0.33   0.052% *  0.2510% (0.31   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    VAL  107   9.77 +/- 0.35   0.076% *  0.1101% (0.14   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    VAL  107  11.71 +/- 0.26   0.025% *  0.2510% (0.31   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    VAL  107  20.30 +/- 0.62   0.001% *  0.6215% (0.76   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    VAL  107  22.47 +/- 0.87   0.001% *  0.7972% (0.98   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    VAL  107  18.74 +/- 0.69   0.002% *  0.1609% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.09 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 = 56.6:
    * O T HA    VAL  107 - HB    VAL  107   2.94 +/- 0.02  99.215% * 98.5159% (0.73   3.31  56.62) =  99.998%  kept
          HA    ALA  110 - HB    VAL  107   6.63 +/- 0.13   0.756% *  0.1836% (0.22   0.02   0.02) =   0.001%
          HA    ALA   91 - HB    VAL  107  13.68 +/- 0.50   0.010% *  0.5740% (0.70   0.02   0.02) =   0.000%
          HA    PRO   52 - HB    VAL  107  13.74 +/- 0.23   0.010% *  0.1177% (0.14   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL  107  14.41 +/- 0.48   0.007% *  0.1324% (0.16   0.02   0.02) =   0.000%
          HA    TRP   27 - HB    VAL  107  18.04 +/- 0.40   0.002% *  0.4763% (0.58   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1345 (2.40, 2.40, 36.05 ppm):
    1 diagonal assignment:
    *     HB    VAL  107 - HB    VAL  107  (0.53)  kept
 
    Peak 1346 (4.56, 4.56, 62.51 ppm):
    1 diagonal assignment:
    *     HA    VAL  108 - HA    VAL  108  (1.00)  kept
 
    Peak 1347 (2.05, 4.56, 62.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 62.1:
    * O T HB    VAL  108 - HA    VAL  108   3.02 +/- 0.01  99.827% * 96.7353% (1.00   3.30  62.10) =  99.999%  kept
          HB2   PRO   93 - HA    VAL  108   8.93 +/- 0.43   0.158% *  0.4697% (0.80   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    VAL  108  14.27 +/- 0.39   0.009% *  0.5415% (0.92   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    VAL  108  17.18 +/- 0.50   0.003% *  0.5814% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    VAL  108  20.06 +/- 0.80   0.001% *  0.5415% (0.92   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    VAL  108  20.97 +/- 0.99   0.001% *  0.3794% (0.65   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    VAL  108  22.25 +/- 0.40   0.001% *  0.5088% (0.87   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    VAL  108  24.01 +/- 0.35   0.000% *  0.1631% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    VAL  108  36.44 +/- 3.03   0.000% *  0.0794% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1348 (0.89, 4.56, 62.51 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 62.1:
    * O T QG1   VAL  108 - HA    VAL  108   2.46 +/- 0.07  99.988% * 99.3017% (1.00   3.97  62.10) = 100.000%  kept
          HB3   LEU   63 - HA    VAL  108  14.01 +/- 0.35   0.003% *  0.3238% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   40 - HA    VAL  108  13.34 +/- 0.26   0.004% *  0.1878% (0.38   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    VAL  108  14.25 +/- 0.53   0.003% *  0.0990% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   67 - HA    VAL  108  15.18 +/- 0.33   0.002% *  0.0876% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1349 (1.03, 4.56, 62.51 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 62.1:
    * O T QG2   VAL  108 - HA    VAL  108   2.33 +/- 0.06  99.987% * 98.7625% (1.00   3.30  62.10) = 100.000%  kept
          QD1   ILE  119 - HA    VAL  108  11.84 +/- 0.22   0.006% *  0.4349% (0.73   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL  108  13.94 +/- 0.18   0.002% *  0.5779% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    VAL  108  12.15 +/- 0.20   0.005% *  0.2248% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1350 (4.56, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 62.1:
    * O T HA    VAL  108 - HB    VAL  108   3.02 +/- 0.01  98.166% * 98.9038% (1.00   3.30  62.10) =  99.996%  kept
          HA1   GLY  109 - HB    VAL  108   5.88 +/- 0.10   1.819% *  0.1851% (0.31   0.02   7.35) =   0.003%
          HA    ALA   47 - HB    VAL  108  14.47 +/- 0.69   0.008% *  0.5878% (0.98   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL  108  15.44 +/- 0.48   0.006% *  0.2046% (0.34   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL  108  19.59 +/- 0.39   0.001% *  0.1187% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1351 (2.05, 2.05, 32.95 ppm):
    1 diagonal assignment:
    *     HB    VAL  108 - HB    VAL  108  (1.00)  kept
 
    Peak 1352 (0.89, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 62.1:
    * O T QG1   VAL  108 - HB    VAL  108   2.13 +/- 0.02  99.997% * 99.1953% (1.00   3.44  62.10) = 100.000%  kept
          HB3   LEU   63 - HB    VAL  108  15.45 +/- 0.42   0.001% *  0.3731% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   40 - HB    VAL  108  14.59 +/- 0.22   0.001% *  0.2165% (0.38   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL  108  16.37 +/- 0.37   0.000% *  0.1141% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB    VAL  108  16.14 +/- 0.38   0.001% *  0.1010% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1353 (1.03, 2.05, 32.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 62.1:
    * O T QG2   VAL  108 - HB    VAL  108   2.12 +/- 0.02  99.992% * 98.6410% (1.00   3.00  62.10) = 100.000%  kept
        T QD1   ILE  119 - HB    VAL  108  11.91 +/- 0.41   0.003% *  0.4775% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL  108  11.58 +/- 0.51   0.004% *  0.2468% (0.38   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    VAL  108  15.08 +/- 0.29   0.001% *  0.6346% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 1.0, support = 3.97, residual support = 62.1:
    * O T HA    VAL  108 - QG1   VAL  108   2.46 +/- 0.07  94.094% * 99.0872% (1.00   3.97  62.10) =  99.990%  kept
          HA1   GLY  109 - QG1   VAL  108   3.94 +/- 0.15   5.882% *  0.1541% (0.31   0.02   7.35) =   0.010%
          HA    ALA   47 - QG1   VAL  108  10.78 +/- 0.68   0.015% *  0.4895% (0.98   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL  108  12.03 +/- 0.48   0.007% *  0.1703% (0.34   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL  108  15.16 +/- 0.41   0.002% *  0.0988% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1355 (2.05, 0.89, 21.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 62.1:
    * O T HB    VAL  108 - QG1   VAL  108   2.13 +/- 0.02  99.975% * 96.8654% (1.00   3.44  62.10) = 100.000%  kept
          HB2   PRO   93 - QG1   VAL  108   8.68 +/- 0.32   0.022% *  0.4510% (0.80   0.02   0.02) =   0.000%
          HB    ILE  119 - QG1   VAL  108  13.34 +/- 0.43   0.002% *  0.5199% (0.92   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG1   VAL  108  14.90 +/- 0.38   0.001% *  0.5582% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG1   VAL  108  18.90 +/- 0.84   0.000% *  0.5199% (0.92   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG1   VAL  108  19.65 +/- 0.94   0.000% *  0.3643% (0.65   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG1   VAL  108  20.50 +/- 0.45   0.000% *  0.4885% (0.87   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG1   VAL  108  22.39 +/- 0.26   0.000% *  0.1566% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  108  32.73 +/- 2.61   0.000% *  0.0762% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1356 (0.89, 0.89, 21.81 ppm):
    1 diagonal assignment:
    *     QG1   VAL  108 - QG1   VAL  108  (1.00)  kept
 
    Peak 1357 (1.03, 0.89, 21.81 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 62.1:
    * O T QG2   VAL  108 - QG1   VAL  108   2.06 +/- 0.05  99.988% * 98.8128% (1.00   3.44  62.10) = 100.000%  kept
          QD1   ILE  119 - QG1   VAL  108  11.11 +/- 0.26   0.004% *  0.4172% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL  108  10.39 +/- 0.41   0.006% *  0.2156% (0.38   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL  108  13.75 +/- 0.19   0.001% *  0.5544% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1358 (4.56, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 62.1:
    * O T HA    VAL  108 - QG2   VAL  108   2.33 +/- 0.06  99.572% * 98.9038% (1.00   3.30  62.10) =  99.999%  kept
          HA1   GLY  109 - QG2   VAL  108   5.81 +/- 0.12   0.420% *  0.1851% (0.31   0.02   7.35) =   0.001%
          HA    ALA   47 - QG2   VAL  108  12.34 +/- 0.67   0.005% *  0.5878% (0.98   0.02   0.02) =   0.000%
          HA    CYS   50 - QG2   VAL  108  13.65 +/- 0.47   0.003% *  0.2046% (0.34   0.02   0.02) =   0.000%
          HA    TRP   49 - QG2   VAL  108  17.05 +/- 0.42   0.001% *  0.1187% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 3.0, residual support = 62.1:
    * O T HB    VAL  108 - QG2   VAL  108   2.12 +/- 0.02  99.986% * 96.4222% (1.00   3.00  62.10) = 100.000%  kept
          HB2   PRO   93 - QG2   VAL  108   9.81 +/- 0.36   0.010% *  0.5147% (0.80   0.02   0.02) =   0.000%
        T HB    ILE  119 - QG2   VAL  108  12.53 +/- 0.45   0.002% *  0.5934% (0.92   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   VAL  108  16.47 +/- 0.35   0.000% *  0.6371% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  108  17.88 +/- 0.96   0.000% *  0.5934% (0.92   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  108  18.24 +/- 0.54   0.000% *  0.5576% (0.87   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  108  18.83 +/- 1.05   0.000% *  0.4158% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  108  21.35 +/- 0.33   0.000% *  0.1787% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - QG2   VAL  108  31.80 +/- 2.47   0.000% *  0.0870% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1360 (0.89, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 62.1:
    * O T QG1   VAL  108 - QG2   VAL  108   2.06 +/- 0.05  99.992% * 99.1953% (1.00   3.44  62.10) = 100.000%  kept
          QD1   LEU   40 - QG2   VAL  108  11.60 +/- 0.28   0.003% *  0.2165% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL  108  13.00 +/- 0.31   0.002% *  0.3731% (0.65   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL  108  13.48 +/- 0.53   0.001% *  0.1141% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   67 - QG2   VAL  108  13.36 +/- 0.29   0.001% *  0.1010% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 9.39:
    * O T HA2   GLY  109 - HA1   GLY  109   1.75 +/- 0.00  99.998% * 96.7677% (1.00   2.00   9.39) = 100.000%  kept
          HA    ALA   84 - HA1   GLY  109  11.67 +/- 0.35   0.001% *  0.9154% (0.95   0.02   0.02) =   0.000%
        T HB2   TRP   49 - HA1   GLY  109  13.10 +/- 0.34   0.001% *  0.7749% (0.80   0.02   0.02) =   0.000%
          HA    THR  118 - HA1   GLY  109  14.30 +/- 0.27   0.000% *  0.8394% (0.87   0.02   0.02) =   0.000%
          HA    ILE  119 - HA1   GLY  109  15.00 +/- 0.30   0.000% *  0.7027% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1364 (4.58, 3.67, 43.34 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 9.39:
    * O T HA1   GLY  109 - HA2   GLY  109   1.75 +/- 0.00  99.631% * 96.1496% (1.00   2.00   9.39) =  99.999%  kept
          HA    VAL  108 - HA2   GLY  109   4.46 +/- 0.03   0.365% *  0.2968% (0.31   0.02   7.35) =   0.001%
        T HA    CYS   50 - HA2   GLY  109  10.86 +/- 0.49   0.002% *  0.9594% (1.00   0.02   0.02) =   0.000%
          HA    ALA   47 - HA2   GLY  109  10.25 +/- 0.73   0.003% *  0.3953% (0.41   0.02   0.02) =   0.000%
        T HA    TRP   49 - HA2   GLY  109  14.78 +/- 0.39   0.000% *  0.9279% (0.97   0.02   0.02) =   0.000%
          HA    CYS   21 - HA2   GLY  109  21.48 +/- 0.32   0.000% *  0.8031% (0.84   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HA2   GLY  109  20.57 +/- 0.28   0.000% *  0.4680% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.10 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   2.11 +/- 0.00  99.991% * 90.3368% (1.00   1.31   9.58) = 100.000%  kept
        T QB    ALA   61 - HA    ALA  110  10.89 +/- 0.18   0.005% *  1.2765% (0.92   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ALA  110  14.62 +/- 0.46   0.001% *  0.8387% (0.61   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA  110  15.47 +/- 0.80   0.001% *  0.7275% (0.53   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA  110  17.29 +/- 0.80   0.000% *  1.1072% (0.80   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA  110  15.95 +/- 0.39   0.001% *  0.6731% (0.49   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA  110  19.07 +/- 1.06   0.000% *  1.3797% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA  110  18.58 +/- 1.02   0.000% *  0.9498% (0.69   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA  110  17.64 +/- 0.69   0.000% *  0.5685% (0.41   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA  110  16.27 +/- 0.47   0.000% *  0.3448% (0.25   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA  110  21.35 +/- 0.37   0.000% *  1.3706% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA  110  22.88 +/- 1.68   0.000% *  0.4268% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1368 (4.46, 1.42, 18.06 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.58:
    * O T HA    ALA  110 - QB    ALA  110   2.11 +/- 0.00  99.707% * 92.4698% (1.00   1.31   9.58) =  99.997%  kept
          HA    PHE   55 - QB    ALA  110   6.10 +/- 0.23   0.178% *  1.2278% (0.87   0.02   0.47) =   0.002%
          HA    PHE   55 - QB    ALA   61   8.26 +/- 0.23   0.028% *  0.9086% (0.64   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA  110   7.86 +/- 0.35   0.040% *  0.2801% (0.20   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA  110   8.38 +/- 0.09   0.026% *  0.4369% (0.31   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA  110  10.37 +/- 0.37   0.007% *  1.3874% (0.98   0.02   0.02) =   0.000%
        T HA    ALA  110 - QB    ALA   61  10.89 +/- 0.18   0.005% *  1.0474% (0.74   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA   61  11.64 +/- 0.22   0.004% *  0.2912% (0.21   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA  110  13.14 +/- 0.27   0.002% *  0.3935% (0.28   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   61  16.53 +/- 0.66   0.000% *  1.0267% (0.73   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   61  14.11 +/- 0.15   0.001% *  0.3233% (0.23   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA   61  16.16 +/- 0.50   0.001% *  0.2073% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1369 (1.42, 1.42, 18.06 ppm):
    2 diagonal assignments:
    *     QB    ALA  110 - QB    ALA  110  (1.00)  kept
          QB    ALA   61 - QB    ALA   61  (0.68)  kept
 
    Peak 1370 (4.53, 4.53, 54.74 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 111 - HA    LYS+ 111  (1.00)  kept
 
    Peak 1371 (2.02, 4.53, 54.74 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.98, residual support = 312.6:
    * O T HB2   LYS+ 111 - HA    LYS+ 111   2.66 +/- 0.08  96.335% * 98.4169% (1.00   7.98 312.62) =  99.995%  kept
          QB    GLU- 114 - HA    LYS+ 111   4.71 +/- 0.39   3.647% *  0.1396% (0.57   0.02   6.19) =   0.005%
          HB    ILE  119 - HA    LYS+ 111  11.28 +/- 0.34   0.017% *  0.0549% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 111  24.21 +/- 0.44   0.000% *  0.2444% (0.99   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 111  25.43 +/- 0.59   0.000% *  0.2444% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+ 111  24.83 +/- 0.25   0.000% *  0.2139% (0.87   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 111  23.53 +/- 0.23   0.000% *  0.1200% (0.49   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 111  24.55 +/- 0.29   0.000% *  0.1014% (0.41   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    LYS+ 111  26.04 +/- 0.68   0.000% *  0.1200% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 111  31.09 +/- 0.46   0.000% *  0.2211% (0.90   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+ 111  25.45 +/- 0.39   0.000% *  0.0549% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LYS+ 111  27.95 +/- 0.34   0.000% *  0.0686% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 312.6:
    * O T HG2   LYS+ 111 - HA    LYS+ 111   3.53 +/- 0.09  99.190% * 98.0045% (1.00   7.31 312.62) =  99.999%  kept
          HB3   PRO   93 - HA    LYS+ 111   8.29 +/- 0.30   0.614% *  0.0828% (0.31   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    LYS+ 111  12.87 +/- 0.39   0.043% *  0.1948% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+ 111  14.00 +/- 0.40   0.026% *  0.2240% (0.84   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+ 111  13.20 +/- 0.49   0.037% *  0.1202% (0.45   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+ 111  12.11 +/- 0.41   0.064% *  0.0414% (0.15   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 111  15.27 +/- 0.30   0.015% *  0.0915% (0.34   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 111  19.49 +/- 0.53   0.004% *  0.1518% (0.57   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 111  19.47 +/- 1.42   0.004% *  0.1202% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+ 111  22.21 +/- 1.27   0.002% *  0.2476% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LYS+ 111  24.62 +/- 0.30   0.001% *  0.2405% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+ 111  26.54 +/- 0.47   0.001% *  0.2658% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LYS+ 111  30.62 +/- 0.44   0.000% *  0.2148% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1373 (1.22, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 312.6:
    * O T HG3   LYS+ 111 - HA    LYS+ 111   2.25 +/- 0.15  99.896% * 99.1487% (1.00   7.31 312.62) = 100.000%  kept
          HD2   LYS+ 112 - HA    LYS+ 111   7.27 +/- 0.10   0.102% *  0.1017% (0.38   0.02  25.46) =   0.000%
          HG12  ILE   89 - HA    LYS+ 111  15.43 +/- 0.38   0.001% *  0.2687% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HA    LYS+ 111  17.70 +/- 0.47   0.000% *  0.1017% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 111  24.58 +/- 0.40   0.000% *  0.1215% (0.45   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+ 111  24.77 +/- 0.42   0.000% *  0.1115% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+ 111  24.36 +/- 0.41   0.000% *  0.0925% (0.34   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+ 111  25.42 +/- 0.25   0.000% *  0.0537% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1374 (1.69, 4.53, 54.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 312.6:
    *   T HD2   LYS+ 111 - HA    LYS+ 111   3.04 +/- 0.22  99.193% * 97.9786% (1.00   6.21 312.62) =  99.998%  kept
          HB3   MET   92 - HA    LYS+ 111   7.70 +/- 0.86   0.488% *  0.3095% (0.98   0.02   0.02) =   0.002%
          HG3   PRO   93 - HA    LYS+ 111   8.28 +/- 0.26   0.276% *  0.2739% (0.87   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HA    LYS+ 111  11.91 +/- 1.00   0.034% *  0.2293% (0.73   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 111  17.61 +/- 0.19   0.003% *  0.2832% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 111  20.34 +/- 0.77   0.001% *  0.2832% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 111  21.06 +/- 1.63   0.001% *  0.2169% (0.69   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    LYS+ 111  21.23 +/- 0.51   0.001% *  0.2169% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 111  19.42 +/- 0.89   0.002% *  0.0487% (0.15   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  22.03 +/- 0.48   0.001% *  0.0625% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 111  28.17 +/- 0.52   0.000% *  0.0975% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1375 (1.64, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 312.6:
    *   T HD3   LYS+ 111 - HA    LYS+ 111   4.14 +/- 0.05  99.661% * 98.6169% (1.00   6.21 312.62) =  99.999%  kept
          QB    ALA   57 - HA    LYS+ 111  11.26 +/- 0.11   0.247% *  0.3171% (1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 121 - HA    LYS+ 111  14.69 +/- 0.47   0.051% *  0.0884% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 111  18.11 +/- 0.46   0.014% *  0.2654% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+ 111  19.00 +/- 0.21   0.011% *  0.2850% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 111  19.42 +/- 0.89   0.010% *  0.0792% (0.25   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HA    LYS+ 111  27.20 +/- 0.87   0.001% *  0.2850% (0.90   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  22.03 +/- 0.48   0.004% *  0.0629% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1376 (3.06, 4.53, 54.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 312.6:
    *   T QE    LYS+ 111 - HA    LYS+ 111   2.81 +/- 0.30  99.984% * 99.4651% (1.00   5.62 312.62) = 100.000%  kept
          HB2   PHE   45 - HA    LYS+ 111  12.47 +/- 0.25   0.015% *  0.3346% (0.95   0.02   0.02) =   0.000%
          HB2   CYS   21 - HA    LYS+ 111  22.43 +/- 0.38   0.000% *  0.2003% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1377 (4.53, 2.02, 33.52 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.98, residual support = 312.6:
    * O T HA    LYS+ 111 - HB2   LYS+ 111   2.66 +/- 0.08  99.987% * 99.7556% (1.00   7.98 312.62) = 100.000%  kept
          HA    PRO   52 - HB2   LYS+ 111  11.96 +/- 0.32   0.012% *  0.1617% (0.65   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG3   GLN   30  26.04 +/- 0.68   0.000% *  0.0502% (0.20   0.02   0.02) =   0.000%
          HA    PRO   52 - HG3   GLN   30  24.90 +/- 0.72   0.000% *  0.0325% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1378 (2.02, 2.02, 33.52 ppm):
    2 diagonal assignments:
    *     HB2   LYS+ 111 - HB2   LYS+ 111  (1.00)  kept
          HG3   GLN   30 - HG3   GLN   30  (0.10)  kept
 
    Peak 1379 (1.33, 2.02, 33.52 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 312.6:
    * O T HG2   LYS+ 111 - HB2   LYS+ 111   2.75 +/- 0.02  99.556% * 97.5625% (1.00   7.31 312.62) = 100.000%  kept
          HB2   LEU   31 - HG3   GLN   30   7.44 +/- 0.26   0.262% *  0.0531% (0.20   0.02  51.17) =   0.000%
          HB3   PRO   93 - HB2   LYS+ 111   9.33 +/- 0.30   0.067% *  0.0823% (0.31   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+ 111  13.06 +/- 0.48   0.009% *  0.1937% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+ 111  13.93 +/- 0.54   0.006% *  0.2228% (0.84   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+ 111  12.60 +/- 0.54   0.011% *  0.1196% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   GLN   30  11.15 +/- 0.87   0.025% *  0.0495% (0.19   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+ 111  12.77 +/- 0.49   0.010% *  0.0412% (0.15   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+ 111  15.45 +/- 0.36   0.003% *  0.0910% (0.34   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   GLN   30  13.74 +/- 0.74   0.007% *  0.0389% (0.15   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   GLN   30  13.33 +/- 1.36   0.010% *  0.0240% (0.09   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   GLN   30  12.50 +/- 0.58   0.012% *  0.0183% (0.07   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   GLN   30  15.22 +/- 0.80   0.004% *  0.0481% (0.18   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+ 111  18.03 +/- 1.53   0.001% *  0.1196% (0.45   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+ 111  18.58 +/- 0.78   0.001% *  0.1510% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   GLN   30  15.14 +/- 0.55   0.004% *  0.0429% (0.16   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   GLN   30  16.52 +/- 0.94   0.002% *  0.0448% (0.17   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+ 111  22.48 +/- 1.35   0.000% *  0.2463% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   LYS+ 111  23.04 +/- 0.49   0.000% *  0.2393% (0.90   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLN   30  13.79 +/- 0.58   0.007% *  0.0083% (0.03   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLN   30  16.89 +/- 0.44   0.002% *  0.0240% (0.09   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+ 111  25.70 +/- 0.47   0.000% *  0.2644% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   GLN   30  18.74 +/- 0.77   0.001% *  0.0166% (0.06   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   LYS+ 111  29.17 +/- 0.47   0.000% *  0.2136% (0.80   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   GLN   30  23.21 +/- 0.96   0.000% *  0.0304% (0.11   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   GLN   30  25.81 +/- 0.63   0.000% *  0.0536% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1380 (1.22, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 7.29, residual support = 312.6:
    * O T HG3   LYS+ 111 - HB2   LYS+ 111   2.99 +/- 0.01  96.288% * 98.9213% (1.00   7.29 312.62) =  99.999%  kept
          HG    LEU   71 - HG3   GLN   30   6.40 +/- 0.83   1.335% *  0.0224% (0.08   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG3   GLN   30   6.11 +/- 0.81   1.765% *  0.0108% (0.04   0.02  14.83) =   0.000%
          HD2   LYS+ 112 - HB2   LYS+ 111   8.78 +/- 0.11   0.150% *  0.1019% (0.38   0.02  25.46) =   0.000%
          HB3   LEU   71 - HG3   GLN   30   7.75 +/- 0.87   0.404% *  0.0245% (0.09   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 111  15.08 +/- 0.49   0.006% *  0.2691% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG3   GLN   30  11.11 +/- 0.66   0.039% *  0.0205% (0.08   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   GLN   30  16.01 +/- 0.55   0.004% *  0.0541% (0.20   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HB2   LYS+ 111  18.41 +/- 0.52   0.002% *  0.1019% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   GLN   30  15.86 +/- 1.43   0.005% *  0.0186% (0.07   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+ 111  22.73 +/- 0.41   0.001% *  0.0926% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 111  23.99 +/- 0.34   0.000% *  0.1217% (0.45   0.02   0.02) =   0.000%
        T HG    LEU   71 - HB2   LYS+ 111  24.46 +/- 0.58   0.000% *  0.1116% (0.41   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HB2   LYS+ 111  25.47 +/- 0.36   0.000% *  0.0537% (0.20   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   GLN   30  26.15 +/- 0.63   0.000% *  0.0546% (0.20   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG3   GLN   30  27.63 +/- 0.83   0.000% *  0.0205% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1381 (1.69, 2.02, 33.52 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 312.6:
    * O T HD2   LYS+ 111 - HB2   LYS+ 111   2.27 +/- 0.45  98.340% * 97.6703% (1.00   6.62 312.62) =  99.999%  kept
          HB2   LEU   73 - HG3   GLN   30   5.81 +/- 1.08   1.501% *  0.0532% (0.18   0.02   4.49) =   0.001%
          HB3   MET   92 - HB2   LYS+ 111   8.90 +/- 0.98   0.074% *  0.2894% (0.98   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB2   LYS+ 111   9.99 +/- 0.31   0.030% *  0.2561% (0.87   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB2   LYS+ 111  10.19 +/- 1.11   0.030% *  0.2144% (0.73   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+ 111  16.50 +/- 0.54   0.001% *  0.2648% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB2   LYS+ 111  19.21 +/- 1.64   0.001% *  0.2028% (0.69   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  11.57 +/- 0.78   0.010% *  0.0117% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+ 111  20.19 +/- 0.85   0.000% *  0.2648% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   GLN   30  14.82 +/- 1.15   0.003% *  0.0408% (0.14   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB2   LYS+ 111  19.77 +/- 0.68   0.001% *  0.2028% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   GLN   30  15.00 +/- 0.91   0.003% *  0.0183% (0.06   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   GLN   30  17.61 +/- 1.50   0.001% *  0.0431% (0.15   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   GLN   30  18.00 +/- 0.89   0.001% *  0.0408% (0.14   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  19.86 +/- 0.91   0.000% *  0.0456% (0.15   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG3   GLN   30  20.75 +/- 0.76   0.000% *  0.0515% (0.17   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  21.91 +/- 0.51   0.000% *  0.0584% (0.20   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   GLN   30  21.97 +/- 0.85   0.000% *  0.0582% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  16.76 +/- 1.00   0.001% *  0.0092% (0.03   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+ 111  26.82 +/- 0.59   0.000% *  0.0911% (0.31   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   GLN   30  26.51 +/- 0.75   0.000% *  0.0532% (0.18   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   GLN   30  27.82 +/- 0.63   0.000% *  0.0594% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1382 (1.64, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 312.6:
    * O T HD3   LYS+ 111 - HB2   LYS+ 111   3.04 +/- 0.15  97.745% * 98.3856% (1.00   6.62 312.62) =  99.999%  kept
        T QD    LYS+  33 - HG3   GLN   30   6.38 +/- 0.97   2.125% *  0.0536% (0.18   0.02   0.02) =   0.001%
          QB    ALA   57 - HB2   LYS+ 111  12.68 +/- 0.15   0.019% *  0.2968% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   GLN   30  11.28 +/- 0.68   0.042% *  0.0499% (0.17   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB2   LYS+ 111  13.08 +/- 0.64   0.016% *  0.0827% (0.28   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+ 111  18.01 +/- 0.53   0.002% *  0.2668% (0.90   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   LYS+ 111  18.84 +/- 0.52   0.002% *  0.2484% (0.84   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  11.57 +/- 0.78   0.038% *  0.0118% (0.04   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   GLN   30  17.14 +/- 0.71   0.003% *  0.0597% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  19.86 +/- 0.91   0.001% *  0.0742% (0.25   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LYS+ 111  26.67 +/- 0.88   0.000% *  0.2668% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  16.76 +/- 1.00   0.004% *  0.0149% (0.05   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  21.91 +/- 0.51   0.001% *  0.0589% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   GLN   30  22.08 +/- 0.83   0.001% *  0.0166% (0.06   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   GLN   30  27.42 +/- 0.76   0.000% *  0.0536% (0.18   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   GLN   30  27.89 +/- 0.63   0.000% *  0.0598% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 1 structures by 0.01 A, kept.
 
    Peak 1383 (3.06, 2.02, 33.52 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 312.6:
    *   T QE    LYS+ 111 - HB2   LYS+ 111   3.41 +/- 0.64  91.330% * 99.3382% (1.00   6.06 312.62) =  99.996%  kept
          HB2   CYS   21 - HG3   GLN   30   5.46 +/- 0.72   8.608% *  0.0373% (0.11   0.02   0.02) =   0.004%
          HB2   PHE   45 - HB2   LYS+ 111  12.74 +/- 0.30   0.044% *  0.3104% (0.95   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   GLN   30  14.97 +/- 0.65   0.017% *  0.0624% (0.19   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB2   LYS+ 111  22.57 +/- 0.37   0.001% *  0.1858% (0.57   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG3   GLN   30  25.28 +/- 0.71   0.001% *  0.0660% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.45 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 = 312.6:
    * O T HA    LYS+ 111 - HG2   LYS+ 111   3.53 +/- 0.09  99.930% * 99.8233% (1.00   7.31 312.62) = 100.000%  kept
          HA    PRO   52 - HG2   LYS+ 111  11.85 +/- 0.37   0.070% *  0.1767% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1385 (2.02, 1.33, 24.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 312.6:
    * O T HB2   LYS+ 111 - HG2   LYS+ 111   2.75 +/- 0.02  88.932% * 98.2746% (1.00   7.31 312.62) =  99.981%  kept
          QB    GLU- 114 - HG2   LYS+ 111   4.04 +/- 0.44  11.058% *  0.1521% (0.57   0.02   6.19) =   0.019%
          HB    ILE  119 - HG2   LYS+ 111  12.98 +/- 0.58   0.008% *  0.0598% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+ 111  25.57 +/- 0.44   0.000% *  0.2663% (0.99   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+ 111  26.15 +/- 0.65   0.000% *  0.2663% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+ 111  26.18 +/- 0.43   0.000% *  0.2331% (0.87   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   LYS+ 111  23.89 +/- 0.30   0.000% *  0.1308% (0.49   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   LYS+ 111  25.81 +/- 0.63   0.000% *  0.1308% (0.49   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+ 111  25.95 +/- 0.50   0.000% *  0.1105% (0.41   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+ 111  30.35 +/- 0.63   0.000% *  0.2410% (0.90   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+ 111  25.01 +/- 0.41   0.000% *  0.0598% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+ 111  26.55 +/- 0.50   0.000% *  0.0747% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1386 (1.33, 1.33, 24.92 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 111 - HG2   LYS+ 111  (1.00)  kept
 
    Peak 1387 (1.22, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 312.6:
    * O T HG3   LYS+ 111 - HG2   LYS+ 111   1.75 +/- 0.00  99.997% * 99.1085% (1.00   6.98 312.62) = 100.000%  kept
          HD2   LYS+ 112 - HG2   LYS+ 111  10.65 +/- 0.29   0.002% *  0.1065% (0.38   0.02  25.46) =   0.000%
        T HG12  ILE   89 - HG2   LYS+ 111  13.69 +/- 0.52   0.000% *  0.2814% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+ 111  18.44 +/- 0.48   0.000% *  0.1065% (0.38   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+ 111  23.45 +/- 0.48   0.000% *  0.0968% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 111  24.68 +/- 0.48   0.000% *  0.1273% (0.45   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+ 111  25.04 +/- 0.48   0.000% *  0.1167% (0.41   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+ 111  25.95 +/- 0.29   0.000% *  0.0562% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1388 (1.69, 1.33, 24.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 312.6:
    * O T HD2   LYS+ 111 - HG2   LYS+ 111   2.90 +/- 0.09  99.448% * 97.9786% (1.00   6.21 312.62) =  99.998%  kept
          HB3   MET   92 - HG2   LYS+ 111   7.53 +/- 1.10   0.399% *  0.3095% (0.98   0.02   0.02) =   0.001%
          HG3   PRO   93 - HG2   LYS+ 111   9.79 +/- 0.47   0.070% *  0.2739% (0.87   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+ 111   9.91 +/- 1.02   0.077% *  0.2293% (0.73   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 111  18.82 +/- 0.57   0.001% *  0.2832% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+ 111  19.17 +/- 1.68   0.001% *  0.2169% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 111  20.20 +/- 0.92   0.001% *  0.2832% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+ 111  20.57 +/- 0.51   0.001% *  0.2169% (0.69   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  20.79 +/- 0.65   0.001% *  0.0625% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  21.26 +/- 0.87   0.001% *  0.0487% (0.15   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+ 111  27.37 +/- 0.72   0.000% *  0.0975% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1389 (1.64, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 312.6:
    * O T HD3   LYS+ 111 - HG2   LYS+ 111   2.29 +/- 0.04  99.995% * 98.6169% (1.00   6.21 312.62) = 100.000%  kept
          QB    ALA   57 - HG2   LYS+ 111  13.37 +/- 0.11   0.003% *  0.3171% (1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 111  14.91 +/- 0.72   0.001% *  0.0884% (0.28   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+ 111  18.91 +/- 0.46   0.000% *  0.2654% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+ 111  20.36 +/- 0.57   0.000% *  0.2850% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  21.26 +/- 0.87   0.000% *  0.0792% (0.25   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  20.79 +/- 0.65   0.000% *  0.0629% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+ 111  26.98 +/- 0.82   0.000% *  0.2850% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1390 (3.06, 1.33, 24.92 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 312.6:
    * O T QE    LYS+ 111 - HG2   LYS+ 111   3.01 +/- 0.15  99.973% * 99.4651% (1.00   5.62 312.62) = 100.000%  kept
          HB2   PHE   45 - HG2   LYS+ 111  12.02 +/- 0.36   0.026% *  0.3346% (0.95   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG2   LYS+ 111  22.29 +/- 0.46   0.001% *  0.2003% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 312.6:
    * O T HA    LYS+ 111 - HG3   LYS+ 111   2.25 +/- 0.15  99.987% * 99.7755% (1.00   7.31 312.62) = 100.000%  kept
          HA    PRO   52 - HG3   LYS+ 111  10.39 +/- 0.48   0.011% *  0.1765% (0.65   0.02   0.02) =   0.000%
          HA    PRO   52 - HG2   LYS+  74  14.27 +/- 0.41   0.002% *  0.0189% (0.07   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG2   LYS+  74  17.70 +/- 0.47   0.000% *  0.0292% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1392 (2.02, 1.22, 24.92 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 7.29, residual support = 312.6:
    * O T HB2   LYS+ 111 - HG3   LYS+ 111   2.99 +/- 0.01  93.191% * 98.0583% (1.00   7.29 312.62) =  99.989%  kept
          QB    GLU- 114 - HG3   LYS+ 111   4.81 +/- 0.46   6.432% *  0.1524% (0.57   0.02   6.19) =   0.011%
        T HB    ILE   19 - HG2   LYS+  74   8.30 +/- 0.30   0.209% *  0.0140% (0.05   0.02   8.34) =   0.000%
          HB2   GLN   17 - HG2   LYS+  74  10.23 +/- 0.63   0.063% *  0.0285% (0.11   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   LYS+ 111  12.86 +/- 0.75   0.016% *  0.0599% (0.22   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   LYS+  74  11.11 +/- 0.66   0.037% *  0.0140% (0.05   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+  74  14.24 +/- 0.57   0.008% *  0.0285% (0.11   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+  74  11.85 +/- 0.39   0.024% *  0.0064% (0.02   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+  74  16.21 +/- 0.61   0.004% *  0.0258% (0.10   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+  74  16.31 +/- 0.81   0.004% *  0.0250% (0.09   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   LYS+ 111  25.26 +/- 0.45   0.000% *  0.2668% (0.99   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   LYS+  74  16.04 +/- 0.47   0.004% *  0.0163% (0.06   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   LYS+ 111  26.23 +/- 0.57   0.000% *  0.2668% (0.99   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   LYS+  74  18.41 +/- 0.52   0.002% *  0.0288% (0.11   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   LYS+ 111  26.10 +/- 0.45   0.000% *  0.2335% (0.87   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG3   LYS+ 111  24.00 +/- 0.24   0.000% *  0.1310% (0.49   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   LYS+ 111  26.15 +/- 0.63   0.000% *  0.1310% (0.49   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+  74  17.75 +/- 0.80   0.002% *  0.0118% (0.04   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   LYS+ 111  25.89 +/- 0.54   0.000% *  0.1107% (0.41   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   LYS+ 111  30.73 +/- 0.62   0.000% *  0.2414% (0.90   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   LYS+ 111  25.48 +/- 0.37   0.000% *  0.0599% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   LYS+ 111  27.73 +/- 0.51   0.000% *  0.0748% (0.28   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+  74  18.72 +/- 0.80   0.002% *  0.0064% (0.02   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+  74  23.21 +/- 0.61   0.000% *  0.0080% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 312.6:
    * O T HG2   LYS+ 111 - HG3   LYS+ 111   1.75 +/- 0.00  99.898% * 97.6662% (1.00   6.98 312.62) = 100.000%  kept
          HB3   ASP-  44 - HG2   LYS+  74   6.45 +/- 0.84   0.059% *  0.0217% (0.08   0.02   0.23) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 111   8.75 +/- 0.45   0.007% *  0.0863% (0.31   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+ 111  11.91 +/- 0.68   0.001% *  0.1254% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG2   LYS+  74  10.00 +/- 1.18   0.004% *  0.0276% (0.10   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 111  13.48 +/- 0.40   0.000% *  0.2032% (0.73   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   LYS+  74   7.49 +/- 0.41   0.017% *  0.0046% (0.02   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+ 111  15.23 +/- 0.47   0.000% *  0.2337% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG2   LYS+  74  10.81 +/- 0.86   0.002% *  0.0250% (0.09   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+ 111  11.66 +/- 0.52   0.001% *  0.0432% (0.15   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+  74   9.39 +/- 0.51   0.004% *  0.0102% (0.04   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+  74   9.55 +/- 0.48   0.004% *  0.0092% (0.03   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 111  14.55 +/- 0.51   0.000% *  0.0954% (0.34   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 111  19.09 +/- 1.42   0.000% *  0.1254% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+ 111  21.70 +/- 1.29   0.000% *  0.2583% (0.92   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 111  20.63 +/- 0.77   0.000% *  0.1584% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG2   LYS+  74  15.66 +/- 0.63   0.000% *  0.0296% (0.11   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   LYS+  74  14.33 +/- 0.51   0.000% *  0.0134% (0.05   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   LYS+ 111  24.71 +/- 0.43   0.000% *  0.2509% (0.90   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+  74  15.51 +/- 1.12   0.000% *  0.0134% (0.05   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+ 111  26.19 +/- 0.48   0.000% *  0.2773% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG2   LYS+  74  18.44 +/- 0.48   0.000% *  0.0299% (0.11   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG2   LYS+  74  19.83 +/- 0.73   0.000% *  0.0268% (0.10   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   LYS+ 111  30.64 +/- 0.59   0.000% *  0.2240% (0.80   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+  74  21.50 +/- 0.95   0.000% *  0.0169% (0.06   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG2   LYS+  74  22.94 +/- 0.46   0.000% *  0.0239% (0.09   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1394 (1.22, 1.22, 24.92 ppm):
    2 diagonal assignments:
    *     HG3   LYS+ 111 - HG3   LYS+ 111  (1.00)  kept
          HG2   LYS+  74 - HG2   LYS+  74  (0.04)  kept
 
    Peak 1395 (1.69, 1.22, 24.92 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 312.6:
    * O T HD2   LYS+ 111 - HG3   LYS+ 111   2.77 +/- 0.17  98.782% * 97.4042% (1.00   5.40 312.62) =  99.997%  kept
          HB3   MET   92 - HG3   LYS+ 111   7.03 +/- 1.12   0.512% *  0.3537% (0.98   0.02   0.02) =   0.002%
          HG3   PRO   93 - HG3   LYS+ 111   8.83 +/- 0.54   0.107% *  0.3130% (0.87   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+  74   6.79 +/- 0.28   0.486% *  0.0346% (0.10   0.02  45.28) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+ 111  11.19 +/- 0.99   0.027% *  0.2620% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  74  10.77 +/- 0.46   0.031% *  0.0335% (0.09   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  74  13.31 +/- 0.79   0.010% *  0.0378% (0.10   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 111  18.98 +/- 0.72   0.001% *  0.3236% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+ 111  20.48 +/- 0.86   0.001% *  0.3236% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+ 111  20.47 +/- 1.68   0.001% *  0.2479% (0.69   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  12.01 +/- 0.81   0.018% *  0.0076% (0.02   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG3   LYS+ 111  21.43 +/- 0.51   0.000% *  0.2479% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  74  15.56 +/- 1.17   0.004% *  0.0280% (0.08   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  12.63 +/- 1.36   0.016% *  0.0060% (0.02   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  74  17.99 +/- 0.96   0.001% *  0.0265% (0.07   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.30 +/- 0.65   0.001% *  0.0714% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.80 +/- 0.91   0.001% *  0.0557% (0.15   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  74  20.16 +/- 0.48   0.001% *  0.0386% (0.11   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  74  20.79 +/- 1.08   0.001% *  0.0265% (0.07   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  74  22.73 +/- 0.85   0.000% *  0.0346% (0.10   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  28.24 +/- 0.70   0.000% *  0.1114% (0.31   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  21.77 +/- 0.58   0.000% *  0.0119% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 0.854, support = 5.42, residual support = 290.8:
    * O T HD3   LYS+ 111 - HG3   LYS+ 111   2.91 +/- 0.09  32.456% * 90.1245% (1.00   5.40 312.62) =  83.997%  kept
      O T HD2   LYS+  74 - HG2   LYS+  74   2.58 +/- 0.07  67.457% *  8.2612% (0.09   5.54 176.04) =  16.003%  kept
          QB    ALA   57 - HG2   LYS+  74   8.42 +/- 0.63   0.064% *  0.0356% (0.11   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  12.44 +/- 0.14   0.005% *  0.3332% (1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  15.52 +/- 0.83   0.001% *  0.0928% (0.28   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  18.61 +/- 0.46   0.000% *  0.2789% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  20.45 +/- 0.73   0.000% *  0.2995% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  12.63 +/- 1.36   0.006% *  0.0089% (0.03   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  15.18 +/- 0.78   0.002% *  0.0320% (0.10   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  12.01 +/- 0.81   0.007% *  0.0071% (0.02   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.80 +/- 0.91   0.000% *  0.0833% (0.25   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.30 +/- 0.65   0.000% *  0.0661% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  27.41 +/- 0.83   0.000% *  0.2995% (0.90   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  20.55 +/- 0.49   0.000% *  0.0357% (0.11   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  19.05 +/- 0.83   0.000% *  0.0099% (0.03   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  23.71 +/- 0.85   0.000% *  0.0320% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 312.6:
    * O T QE    LYS+ 111 - HG3   LYS+ 111   2.11 +/- 0.35  99.794% * 99.3499% (1.00   5.44 312.62) = 100.000%  kept
          HB2   CYS   21 - HG2   LYS+  74   6.81 +/- 0.50   0.151% *  0.0221% (0.06   0.02   7.90) =   0.000%
          HB2   PHE   45 - HG2   LYS+  74   7.96 +/- 0.37   0.050% *  0.0369% (0.10   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   LYS+ 111  12.15 +/- 0.37   0.004% *  0.3454% (0.95   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG3   LYS+ 111  22.45 +/- 0.45   0.000% *  0.2067% (0.57   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG2   LYS+  74  18.02 +/- 0.39   0.000% *  0.0390% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 312.6:
    *   T HA    LYS+ 111 - HD2   LYS+ 111   3.04 +/- 0.22  99.969% * 99.5337% (1.00   6.21 312.62) = 100.000%  kept
          HA    PRO   52 - HD2   LYS+ 111  12.32 +/- 0.21   0.024% *  0.2075% (0.65   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+ 102  21.06 +/- 1.63   0.001% *  0.0839% (0.26   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  17.92 +/- 0.92   0.003% *  0.0318% (0.10   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  19.42 +/- 0.89   0.002% *  0.0491% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+ 102  26.27 +/- 1.49   0.000% *  0.0542% (0.17   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  38  28.17 +/- 0.52   0.000% *  0.0241% (0.08   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  38  31.22 +/- 0.28   0.000% *  0.0156% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1399 (2.02, 1.69, 29.56 ppm):
    48 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 312.6:
    * O T HB2   LYS+ 111 - HD2   LYS+ 111   2.27 +/- 0.45  92.707% * 97.0496% (1.00   6.62 312.62) =  99.995%  kept
          QB    GLU- 114 - HD2   LYS+ 111   4.43 +/- 0.47   2.237% *  0.1661% (0.57   0.02   6.19) =   0.004%
          HB3   PRO   68 - QD    LYS+  65   6.01 +/- 0.75   0.681% *  0.0390% (0.13   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  38   5.43 +/- 1.51   3.519% *  0.0061% (0.02   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  65   7.15 +/- 0.85   0.186% *  0.0445% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65   6.54 +/- 0.72   0.379% *  0.0185% (0.06   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+ 102   7.18 +/- 1.19   0.210% *  0.0213% (0.07   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65   9.63 +/- 0.97   0.031% *  0.0445% (0.15   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   LYS+ 111  12.07 +/- 0.58   0.005% *  0.0653% (0.22   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+ 102  14.64 +/- 1.56   0.004% *  0.0434% (0.15   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  38  13.07 +/- 1.68   0.008% *  0.0219% (0.07   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  12.38 +/- 0.87   0.006% *  0.0219% (0.07   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+ 102  19.21 +/- 1.64   0.001% *  0.0767% (0.26   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+ 102  19.42 +/- 1.24   0.001% *  0.0760% (0.26   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  13.65 +/- 0.77   0.004% *  0.0100% (0.03   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+ 102  18.00 +/- 0.89   0.001% *  0.0373% (0.13   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+ 102  16.14 +/- 0.92   0.002% *  0.0171% (0.06   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  17.08 +/- 0.72   0.001% *  0.0254% (0.09   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  38  13.44 +/- 0.86   0.005% *  0.0049% (0.02   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  38  15.00 +/- 0.91   0.002% *  0.0107% (0.04   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  16.76 +/- 1.00   0.001% *  0.0219% (0.07   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+ 102  18.97 +/- 0.77   0.001% *  0.0373% (0.13   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  38  17.14 +/- 0.87   0.001% *  0.0192% (0.07   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  19.86 +/- 0.91   0.000% *  0.0449% (0.15   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD2   LYS+ 111  26.62 +/- 0.54   0.000% *  0.2908% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+ 102  22.10 +/- 0.74   0.000% *  0.0665% (0.23   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD2   LYS+ 111  27.12 +/- 0.65   0.000% *  0.2908% (0.99   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  38  16.03 +/- 0.77   0.002% *  0.0107% (0.04   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+ 102  22.01 +/- 0.96   0.000% *  0.0688% (0.23   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   LYS+ 111  26.67 +/- 0.48   0.000% *  0.2545% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+ 102  23.75 +/- 0.79   0.000% *  0.0760% (0.26   0.02   0.02) =   0.000%
          HB    ILE   19 - HD2   LYS+ 111  25.57 +/- 0.33   0.000% *  0.1428% (0.49   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+ 102  19.65 +/- 1.46   0.001% *  0.0171% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  17.12 +/- 0.90   0.001% *  0.0100% (0.03   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  38  19.98 +/- 0.91   0.000% *  0.0219% (0.07   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  38  17.38 +/- 0.76   0.001% *  0.0091% (0.03   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+ 102  22.01 +/- 0.75   0.000% *  0.0315% (0.11   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD2   LYS+ 111  26.24 +/- 0.53   0.000% *  0.1206% (0.41   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  38  20.50 +/- 1.04   0.000% *  0.0198% (0.07   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   LYS+ 111  27.82 +/- 0.63   0.000% *  0.1428% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  24.10 +/- 1.12   0.000% *  0.0403% (0.14   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD2   LYS+ 111  32.78 +/- 0.52   0.000% *  0.2631% (0.90   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   LYS+ 111  27.04 +/- 0.42   0.000% *  0.0653% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   LYS+ 111  28.10 +/- 0.45   0.000% *  0.0816% (0.28   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  38  21.53 +/- 0.68   0.000% *  0.0125% (0.04   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  23.09 +/- 0.64   0.000% *  0.0125% (0.04   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  38  26.82 +/- 0.59   0.000% *  0.0221% (0.08   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  38  23.40 +/- 0.51   0.000% *  0.0049% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 2 structures by 0.01 A, kept.
 
    Peak 1400 (1.33, 1.69, 29.56 ppm):
    52 chemical-shift based assignments, quality = 0.846, support = 6.13, residual support = 295.8:
    * O T HG2   LYS+ 111 - HD2   LYS+ 111   2.90 +/- 0.09  22.117% * 91.4963% (1.00   6.21 312.62) =  83.665%  kept
      O T HG2   LYS+  38 - QD    LYS+  38   2.34 +/- 0.11  77.341% *  5.1086% (0.06   5.75 209.82) =  16.335%  kept
          HG    LEU   98 - QD    LYS+ 102   7.34 +/- 1.35   0.155% *  0.0346% (0.12   0.02   3.07) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  38   6.51 +/- 0.81   0.246% *  0.0199% (0.07   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+ 102   8.59 +/- 0.54   0.035% *  0.0691% (0.23   0.02   1.99) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.38 +/- 0.73   0.046% *  0.0377% (0.13   0.02   1.35) =   0.000%
        T HB3   PRO   93 - HD2   LYS+ 111  10.85 +/- 0.32   0.008% *  0.0910% (0.31   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+ 102  11.72 +/- 1.17   0.006% *  0.0617% (0.21   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  13.34 +/- 0.63   0.002% *  0.1322% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  15.04 +/- 0.41   0.001% *  0.2141% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 102  13.06 +/- 0.84   0.003% *  0.0764% (0.26   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  11.76 +/- 1.11   0.006% *  0.0328% (0.11   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  15.96 +/- 0.58   0.001% *  0.2463% (0.84   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 102  12.61 +/- 1.19   0.004% *  0.0346% (0.12   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  12.56 +/- 1.15   0.004% *  0.0256% (0.09   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  12.10 +/- 0.47   0.004% *  0.0220% (0.07   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  13.74 +/- 0.40   0.002% *  0.0455% (0.15   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  12.36 +/- 1.82   0.008% *  0.0099% (0.03   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  16.48 +/- 0.38   0.001% *  0.1006% (0.34   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.84 +/- 0.75   0.000% *  0.1669% (0.57   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 102  17.33 +/- 1.33   0.001% *  0.0560% (0.19   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  19.94 +/- 1.54   0.000% *  0.1322% (0.45   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  15.69 +/- 1.03   0.001% *  0.0263% (0.09   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 102  18.27 +/- 1.21   0.000% *  0.0644% (0.22   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+ 102  19.17 +/- 1.68   0.000% *  0.0771% (0.26   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  23.96 +/- 1.27   0.000% *  0.2722% (0.92   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  17.99 +/- 1.17   0.000% *  0.0436% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 102  19.88 +/- 1.54   0.000% *  0.0712% (0.24   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  15.30 +/- 1.02   0.001% *  0.0139% (0.05   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  25.06 +/- 0.47   0.000% *  0.2644% (0.90   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  18.82 +/- 0.57   0.000% *  0.0405% (0.14   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  27.63 +/- 0.50   0.000% *  0.2922% (0.99   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 102  17.01 +/- 1.09   0.001% *  0.0119% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  21.07 +/- 1.29   0.000% *  0.0417% (0.14   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  17.25 +/- 0.89   0.001% *  0.0126% (0.04   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  21.26 +/- 0.87   0.000% *  0.0452% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  21.18 +/- 0.65   0.000% *  0.0448% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  19.80 +/- 1.49   0.000% *  0.0238% (0.08   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  18.45 +/- 0.88   0.000% *  0.0154% (0.05   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  16.29 +/- 1.00   0.001% *  0.0070% (0.02   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  19.25 +/- 0.73   0.000% *  0.0203% (0.07   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  19.47 +/- 0.43   0.000% *  0.0185% (0.06   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.89 +/- 0.46   0.000% *  0.0362% (0.12   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  31.21 +/- 0.55   0.000% *  0.2361% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  19.99 +/- 0.45   0.000% *  0.0161% (0.05   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  21.02 +/- 0.73   0.000% *  0.0203% (0.07   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  19.97 +/- 0.51   0.000% *  0.0099% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  22.50 +/- 0.43   0.000% *  0.0205% (0.07   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  38  19.95 +/- 0.43   0.000% *  0.0076% (0.03   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  27.37 +/- 0.72   0.000% *  0.0222% (0.08   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  21.19 +/- 0.42   0.000% *  0.0034% (0.01   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  38  24.72 +/- 0.42   0.000% *  0.0068% (0.02   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1401 (1.22, 1.69, 29.56 ppm):
    32 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 312.6:
    * O T HG3   LYS+ 111 - HD2   LYS+ 111   2.77 +/- 0.17  99.090% * 98.1211% (1.00   5.40 312.62) = 100.000%  kept
          HD2   LYS+ 112 - HD2   LYS+ 111   9.19 +/- 0.46   0.083% *  0.1364% (0.38   0.02  25.46) =   0.000%
        T HG3   LYS+  99 - QD    LYS+ 102   8.35 +/- 0.96   0.190% *  0.0324% (0.09   0.02   1.99) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  38   7.02 +/- 0.78   0.515% *  0.0093% (0.03   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+ 111  16.40 +/- 0.46   0.002% *  0.3603% (0.99   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+ 102  15.30 +/- 1.30   0.004% *  0.0942% (0.26   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  38  11.16 +/- 0.89   0.028% *  0.0123% (0.03   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  12.25 +/- 0.74   0.015% *  0.0229% (0.06   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  12.63 +/- 1.36   0.016% *  0.0209% (0.06   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  12.91 +/- 0.57   0.011% *  0.0250% (0.07   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.99 +/- 0.75   0.017% *  0.0110% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+ 102  15.98 +/- 0.61   0.003% *  0.0426% (0.12   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  13.24 +/- 0.89   0.010% *  0.0112% (0.03   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  20.16 +/- 0.48   0.001% *  0.1364% (0.38   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 102  20.47 +/- 1.68   0.001% *  0.0950% (0.26   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  16.09 +/- 0.89   0.003% *  0.0209% (0.06   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 102  17.78 +/- 0.63   0.002% *  0.0391% (0.11   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  20.80 +/- 0.91   0.001% *  0.0557% (0.15   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  21.68 +/- 0.92   0.000% *  0.0552% (0.15   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  24.73 +/- 0.36   0.000% *  0.1240% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD2   LYS+ 111  26.14 +/- 0.33   0.000% *  0.1630% (0.45   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 102  20.79 +/- 1.08   0.001% *  0.0357% (0.10   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.58 +/- 0.53   0.000% *  0.1495% (0.41   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  18.91 +/- 0.95   0.001% *  0.0190% (0.05   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  16.29 +/- 1.11   0.003% *  0.0054% (0.01   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 102  20.51 +/- 1.22   0.001% *  0.0188% (0.05   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  22.05 +/- 0.60   0.000% *  0.0271% (0.07   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  27.52 +/- 0.39   0.000% *  0.0719% (0.20   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+ 102  24.77 +/- 1.62   0.000% *  0.0357% (0.10   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.77 +/- 0.58   0.000% *  0.0103% (0.03   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  28.24 +/- 0.70   0.000% *  0.0274% (0.08   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  38  29.64 +/- 0.47   0.000% *  0.0103% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 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 = 312.6:
    * O T QE    LYS+ 111 - HD2   LYS+ 111   2.24 +/- 0.10  99.995% * 98.9094% (1.00   4.97 312.62) = 100.000%  kept
          HB2   PHE   45 - HD2   LYS+ 111  14.33 +/- 0.25   0.002% *  0.3762% (0.95   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+ 102  17.30 +/- 1.27   0.001% *  0.0983% (0.25   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+ 102  19.53 +/- 1.80   0.000% *  0.1040% (0.26   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  17.12 +/- 1.10   0.001% *  0.0576% (0.14   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  16.30 +/- 1.13   0.001% *  0.0345% (0.09   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+ 102  18.88 +/- 0.90   0.000% *  0.0589% (0.15   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  19.62 +/- 0.89   0.000% *  0.0609% (0.15   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD2   LYS+ 111  24.42 +/- 0.37   0.000% *  0.2251% (0.57   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  38  18.67 +/- 0.82   0.000% *  0.0169% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  38  22.31 +/- 0.42   0.000% *  0.0283% (0.07   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  38  26.65 +/- 0.83   0.000% *  0.0299% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1405 (4.53, 1.64, 29.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 312.6:
    *   T HA    LYS+ 111 - HD3   LYS+ 111   4.14 +/- 0.05  99.873% * 99.1911% (1.00   6.21 312.62) = 100.000%  kept
          HA    PRO   52 - HD3   LYS+ 111  13.13 +/- 0.29   0.099% *  0.2068% (0.65   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  17.92 +/- 0.92   0.016% *  0.0512% (0.16   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  19.42 +/- 0.89   0.010% *  0.0791% (0.25   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  33  27.20 +/- 0.87   0.001% *  0.2864% (0.90   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  33  27.20 +/- 0.86   0.001% *  0.1853% (0.58   0.02   0.02) =   0.000%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1406 (2.02, 1.64, 29.56 ppm):
    36 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 312.5:
    * O T HB2   LYS+ 111 - HD3   LYS+ 111   3.04 +/- 0.15  83.128% * 95.6875% (1.00   6.62 312.62) =  99.975%  kept
          QB    GLU- 114 - HD3   LYS+ 111   4.64 +/- 0.43   7.245% *  0.1638% (0.57   0.02   6.19) =   0.015%
        T HG3   GLN   30 - QD    LYS+  33   6.38 +/- 0.97   1.738% *  0.1262% (0.44   0.02   0.02) =   0.003%
          HB2   GLN   30 - QD    LYS+  33   6.03 +/- 0.91   3.167% *  0.0577% (0.20   0.02   0.02) =   0.002%
          QB    GLU-  15 - QD    LYS+  33   7.69 +/- 1.28   0.625% *  0.2569% (0.89   0.02   0.02) =   0.002%
          HB3   PRO   68 - QD    LYS+  65   6.01 +/- 0.75   1.835% *  0.0621% (0.21   0.02   0.02) =   0.001%
          HB2   GLN   17 - QD    LYS+  65   7.15 +/- 0.85   0.695% *  0.0710% (0.25   0.02   0.02) =   0.001%
          HB    ILE   19 - QD    LYS+  33   8.05 +/- 0.91   0.298% *  0.1262% (0.44   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65   6.54 +/- 0.72   1.036% *  0.0294% (0.10   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65   9.63 +/- 0.97   0.103% *  0.0710% (0.25   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  33  12.20 +/- 1.00   0.023% *  0.2325% (0.80   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  33  12.67 +/- 1.06   0.018% *  0.2569% (0.89   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  33  14.04 +/- 1.45   0.010% *  0.2249% (0.78   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  33  13.14 +/- 0.91   0.014% *  0.0721% (0.25   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   LYS+ 111  13.17 +/- 0.43   0.014% *  0.0644% (0.22   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  12.38 +/- 0.87   0.021% *  0.0349% (0.12   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  33  15.49 +/- 1.41   0.006% *  0.1066% (0.37   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  13.65 +/- 0.77   0.011% *  0.0159% (0.06   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  16.76 +/- 1.00   0.003% *  0.0349% (0.12   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  17.08 +/- 0.72   0.003% *  0.0405% (0.14   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  33  22.08 +/- 0.80   0.001% *  0.1468% (0.51   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  19.86 +/- 0.91   0.001% *  0.0716% (0.25   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  33  26.67 +/- 0.88   0.000% *  0.2592% (0.90   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   LYS+ 111  27.35 +/- 0.45   0.000% *  0.2867% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  17.12 +/- 0.90   0.003% *  0.0159% (0.06   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   LYS+ 111  27.63 +/- 0.71   0.000% *  0.2867% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   LYS+ 111  27.50 +/- 0.48   0.000% *  0.2509% (0.87   0.02   0.02) =   0.000%
          HB    ILE   19 - HD3   LYS+ 111  25.89 +/- 0.35   0.000% *  0.1408% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  24.10 +/- 1.12   0.000% *  0.0642% (0.22   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  33  23.98 +/- 1.11   0.000% *  0.0577% (0.20   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   LYS+ 111  27.89 +/- 0.63   0.000% *  0.1408% (0.49   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD3   LYS+ 111  27.10 +/- 0.54   0.000% *  0.1189% (0.41   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   LYS+ 111  32.56 +/- 0.63   0.000% *  0.2594% (0.90   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   LYS+ 111  27.80 +/- 0.53   0.000% *  0.0804% (0.28   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   LYS+ 111  27.04 +/- 0.43   0.000% *  0.0644% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  23.09 +/- 0.64   0.000% *  0.0199% (0.07   0.02   0.02) =   0.000%
    Distance limit 5.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1407 (1.33, 1.64, 29.56 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 312.6:
    * O T HG2   LYS+ 111 - HD3   LYS+ 111   2.29 +/- 0.04  99.827% * 94.7793% (1.00   6.21 312.62) = 100.000%  kept
          HB2   LEU   31 - QD    LYS+  33   8.29 +/- 0.82   0.057% *  0.2713% (0.89   0.02   0.68) =   0.000%
          HG2   LYS+  38 - QD    LYS+  33   9.68 +/- 0.45   0.018% *  0.2192% (0.72   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.38 +/- 0.73   0.052% *  0.0632% (0.21   0.02   1.35) =   0.000%
          HG2   LYS+  99 - QD    LYS+  33  11.90 +/- 0.89   0.006% *  0.2455% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  11.32 +/- 0.37   0.007% *  0.0943% (0.31   0.02   0.02) =   0.000%
          QB    ALA   88 - HD3   LYS+ 111  12.51 +/- 0.69   0.004% *  0.1369% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  11.76 +/- 1.11   0.007% *  0.0549% (0.18   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.54 +/- 1.41   0.003% *  0.1227% (0.40   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD3   LYS+ 111  15.50 +/- 0.51   0.001% *  0.2218% (0.73   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  33  15.95 +/- 0.90   0.001% *  0.2527% (0.83   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  12.56 +/- 1.15   0.005% *  0.0428% (0.14   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD3   LYS+ 111  16.78 +/- 0.48   0.001% *  0.2551% (0.84   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  33  16.30 +/- 0.98   0.001% *  0.1987% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  33  17.12 +/- 1.10   0.001% *  0.2286% (0.75   0.02   0.02) =   0.000%
          QG2   THR   77 - HD3   LYS+ 111  13.61 +/- 0.43   0.002% *  0.0471% (0.15   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  16.11 +/- 0.46   0.001% *  0.1042% (0.34   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  15.97 +/- 0.67   0.001% *  0.0934% (0.31   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  33  18.86 +/- 0.62   0.000% *  0.1227% (0.40   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  33  19.94 +/- 1.37   0.000% *  0.1550% (0.51   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  19.61 +/- 1.59   0.000% *  0.1369% (0.45   0.02   0.02) =   0.000%
          QB    ALA  124 - HD3   LYS+ 111  20.57 +/- 0.79   0.000% *  0.1729% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  15.30 +/- 1.02   0.001% *  0.0233% (0.08   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  33  17.15 +/- 0.63   0.001% *  0.0422% (0.14   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD3   LYS+ 111  23.73 +/- 1.32   0.000% *  0.2820% (0.92   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  18.82 +/- 0.57   0.000% *  0.0678% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HD3   LYS+ 111  24.99 +/- 0.51   0.000% *  0.2739% (0.90   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  21.39 +/- 0.90   0.000% *  0.0845% (0.28   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  21.07 +/- 1.29   0.000% *  0.0698% (0.23   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  21.26 +/- 0.87   0.000% *  0.0756% (0.25   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  21.18 +/- 0.65   0.000% *  0.0749% (0.25   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD3   LYS+ 111  27.34 +/- 0.52   0.000% *  0.3027% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  33  26.98 +/- 0.82   0.000% *  0.2737% (0.90   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  18.45 +/- 0.88   0.000% *  0.0258% (0.08   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  16.29 +/- 1.00   0.001% *  0.0117% (0.04   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  19.25 +/- 0.73   0.000% *  0.0339% (0.11   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.89 +/- 0.46   0.000% *  0.0605% (0.20   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  21.02 +/- 0.73   0.000% *  0.0339% (0.11   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HD3   LYS+ 111  31.09 +/- 0.53   0.000% *  0.2446% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1408 (1.22, 1.64, 29.56 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 312.6:
    * O T HG3   LYS+ 111 - HD3   LYS+ 111   2.91 +/- 0.09  95.536% * 97.1650% (1.00   5.40 312.62) =  99.994%  kept
          HB3   LEU   71 - QD    LYS+  33   6.09 +/- 1.21   1.946% *  0.1446% (0.40   0.02   0.02) =   0.003%
          HG    LEU   71 - QD    LYS+  33   6.17 +/- 1.28   1.893% *  0.1326% (0.37   0.02   0.02) =   0.003%
          HG13  ILE   19 - QD    LYS+  33   7.64 +/- 1.24   0.476% *  0.0638% (0.18   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HD3   LYS+ 111  10.72 +/- 0.31   0.039% *  0.1351% (0.38   0.02  25.46) =   0.000%
          HG3   LYS+  99 - QD    LYS+  33  12.59 +/- 1.20   0.018% *  0.1100% (0.31   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 111  15.79 +/- 0.53   0.004% *  0.3568% (0.99   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  12.25 +/- 0.74   0.019% *  0.0366% (0.10   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  12.63 +/- 1.36   0.019% *  0.0334% (0.09   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  33  15.18 +/- 0.78   0.005% *  0.1211% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  12.91 +/- 0.57   0.013% *  0.0400% (0.11   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  33  19.28 +/- 0.77   0.001% *  0.3197% (0.89   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.99 +/- 0.75   0.022% *  0.0176% (0.05   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  16.09 +/- 0.89   0.004% *  0.0334% (0.09   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD3   LYS+ 111  20.55 +/- 0.49   0.001% *  0.1351% (0.38   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  20.80 +/- 0.91   0.001% *  0.0891% (0.25   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  21.68 +/- 0.92   0.001% *  0.0883% (0.25   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  33  27.41 +/- 0.83   0.000% *  0.3226% (0.90   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  18.91 +/- 0.95   0.001% *  0.0304% (0.08   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HD3   LYS+ 111  24.66 +/- 0.49   0.000% *  0.1228% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 111  26.44 +/- 0.46   0.000% *  0.1614% (0.45   0.02   0.02) =   0.000%
          HG    LEU   71 - HD3   LYS+ 111  26.90 +/- 0.55   0.000% *  0.1480% (0.41   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  33  28.11 +/- 1.11   0.000% *  0.1211% (0.34   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD3   LYS+ 111  27.92 +/- 0.32   0.000% *  0.0712% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 312.6:
    * O T QE    LYS+ 111 - HD3   LYS+ 111   2.53 +/- 0.10  99.975% * 98.2676% (1.00   4.97 312.62) = 100.000%  kept
          HB2   CYS   21 - QD    LYS+  33  11.06 +/- 0.87   0.017% *  0.2004% (0.51   0.02   0.02) =   0.000%
          HB2   PHE   45 - HD3   LYS+ 111  14.27 +/- 0.34   0.003% *  0.3737% (0.95   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  33  18.52 +/- 0.72   0.001% *  0.3349% (0.85   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  17.12 +/- 1.10   0.001% *  0.0925% (0.23   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  16.30 +/- 1.13   0.002% *  0.0554% (0.14   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  19.62 +/- 0.89   0.000% *  0.0978% (0.25   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  33  26.14 +/- 0.90   0.000% *  0.3540% (0.90   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD3   LYS+ 111  24.48 +/- 0.48   0.000% *  0.2237% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 312.6:
    *   T HA    LYS+ 111 - QE    LYS+ 111   2.81 +/- 0.30  99.940% * 99.7705% (1.00   5.62 312.62) = 100.000%  kept
          HA    PRO   52 - QE    LYS+ 111   9.96 +/- 0.45   0.060% *  0.2295% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1413 (2.02, 3.06, 42.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 312.6:
    *   T HB2   LYS+ 111 - QE    LYS+ 111   3.41 +/- 0.64  92.842% * 97.9233% (1.00   6.06 312.62) =  99.986%  kept
          QB    GLU- 114 - QE    LYS+ 111   5.32 +/- 0.75   7.092% *  0.1831% (0.57   0.02   6.19) =   0.014%
          HB    ILE  119 - QE    LYS+ 111  11.98 +/- 0.75   0.059% *  0.0720% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    LYS+ 111  24.15 +/- 0.49   0.001% *  0.3206% (0.99   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    LYS+ 111  24.88 +/- 0.74   0.001% *  0.3206% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   68 - QE    LYS+ 111  24.66 +/- 0.68   0.001% *  0.2806% (0.87   0.02   0.02) =   0.000%
          HB    ILE   19 - QE    LYS+ 111  23.29 +/- 0.39   0.001% *  0.1574% (0.49   0.02   0.02) =   0.000%
          HG2   PRO   68 - QE    LYS+ 111  24.36 +/- 0.73   0.001% *  0.1330% (0.41   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QE    LYS+ 111  25.28 +/- 0.71   0.001% *  0.1574% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    LYS+ 111  29.37 +/- 0.51   0.000% *  0.2901% (0.90   0.02   0.02) =   0.000%
          HB2   GLN   30 - QE    LYS+ 111  24.69 +/- 0.53   0.001% *  0.0720% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QE    LYS+ 111  26.34 +/- 0.80   0.001% *  0.0899% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1414 (1.33, 3.06, 42.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 312.6:
    * O T HG2   LYS+ 111 - QE    LYS+ 111   3.01 +/- 0.15  99.810% * 97.4221% (1.00   5.62 312.62) = 100.000%  kept
          HB3   PRO   93 - QE    LYS+ 111   9.56 +/- 0.31   0.103% *  0.1069% (0.31   0.02   0.02) =   0.000%
          QB    ALA   88 - QE    LYS+ 111  11.92 +/- 0.47   0.027% *  0.1553% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QE    LYS+ 111  13.87 +/- 0.53   0.012% *  0.2516% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   63 - QE    LYS+ 111  15.04 +/- 0.62   0.007% *  0.2894% (0.84   0.02   0.02) =   0.000%
          QG2   THR   77 - QE    LYS+ 111  11.85 +/- 0.50   0.027% *  0.0535% (0.15   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 111  14.49 +/- 0.41   0.008% *  0.1182% (0.34   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 111  18.84 +/- 0.91   0.002% *  0.1962% (0.57   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 111  18.83 +/- 1.32   0.002% *  0.1553% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   80 - QE    LYS+ 111  21.27 +/- 1.20   0.001% *  0.3198% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QE    LYS+ 111  23.64 +/- 0.75   0.000% *  0.3107% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   31 - QE    LYS+ 111  25.31 +/- 0.58   0.000% *  0.3434% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QE    LYS+ 111  29.02 +/- 0.74   0.000% *  0.2774% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1415 (1.22, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 312.6:
    * O T HG3   LYS+ 111 - QE    LYS+ 111   2.11 +/- 0.35  99.949% * 98.8592% (1.00   5.44 312.62) = 100.000%  kept
          HD2   LYS+ 112 - QE    LYS+ 111   8.25 +/- 0.36   0.048% *  0.1363% (0.38   0.02  25.46) =   0.000%
          HG12  ILE   89 - QE    LYS+ 111  14.67 +/- 0.53   0.002% *  0.3601% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QE    LYS+ 111  18.02 +/- 0.39   0.000% *  0.1363% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   71 - QE    LYS+ 111  24.17 +/- 0.71   0.000% *  0.1629% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+ 111  23.38 +/- 0.84   0.000% *  0.1239% (0.34   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 111  24.41 +/- 0.57   0.000% *  0.1493% (0.41   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 111  25.04 +/- 0.38   0.000% *  0.0719% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1416 (1.69, 3.06, 42.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 312.6:
    * O T HD2   LYS+ 111 - QE    LYS+ 111   2.24 +/- 0.10  99.906% * 97.4907% (1.00   4.97 312.62) = 100.000%  kept
          HB3   MET   92 - QE    LYS+ 111   7.78 +/- 0.86   0.064% *  0.3842% (0.98   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 111   9.33 +/- 0.31   0.020% *  0.3400% (0.87   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QE    LYS+ 111  11.36 +/- 1.09   0.008% *  0.2846% (0.73   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 111  17.38 +/- 0.82   0.001% *  0.3515% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+ 111  19.53 +/- 1.80   0.000% *  0.2692% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 111  20.23 +/- 0.77   0.000% *  0.3515% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    LYS+ 111  20.45 +/- 0.77   0.000% *  0.2692% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  19.62 +/- 0.89   0.000% *  0.0605% (0.15   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  20.92 +/- 0.53   0.000% *  0.0776% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+ 111  26.65 +/- 0.83   0.000% *  0.1210% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 312.6:
    * O T HD3   LYS+ 111 - QE    LYS+ 111   2.53 +/- 0.10  99.986% * 98.2804% (1.00   4.97 312.62) = 100.000%  kept
          QB    ALA   57 - QE    LYS+ 111  12.02 +/- 0.20   0.009% *  0.3942% (1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 111  14.80 +/- 0.89   0.003% *  0.1099% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+ 111  18.38 +/- 0.37   0.001% *  0.3300% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+ 111  18.64 +/- 0.78   0.001% *  0.3544% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  19.62 +/- 0.89   0.000% *  0.0985% (0.25   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+ 111  26.14 +/- 0.90   0.000% *  0.3544% (0.90   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  20.92 +/- 0.53   0.000% *  0.0782% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 233.6:
    * O T HB2   LYS+ 112 - HA    LYS+ 112   2.99 +/- 0.01  99.780% * 97.3317% (1.00   6.00 233.59) = 100.000%  kept
          HB3   PRO   93 - HA    LYS+ 112   8.72 +/- 0.24   0.165% *  0.1579% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LYS+ 112  14.33 +/- 0.31   0.008% *  0.3180% (0.98   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 112  11.73 +/- 0.38   0.028% *  0.0501% (0.15   0.02   0.02) =   0.000%
        T HB    VAL   42 - HA    LYS+ 112  16.04 +/- 0.25   0.004% *  0.3069% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LYS+ 112  17.47 +/- 0.76   0.003% *  0.3069% (0.95   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 112  16.83 +/- 0.24   0.003% *  0.1455% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 112  20.30 +/- 0.73   0.001% *  0.3180% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 112  16.33 +/- 0.48   0.004% *  0.0809% (0.25   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 112  18.11 +/- 0.48   0.002% *  0.0902% (0.28   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 112  19.31 +/- 1.22   0.001% *  0.1107% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LYS+ 112  24.24 +/- 1.08   0.000% *  0.3216% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LYS+ 112  28.33 +/- 0.41   0.000% *  0.2910% (0.90   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 112  28.52 +/- 1.99   0.000% *  0.1707% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 233.6:
    * O T HG2   LYS+ 112 - HA    LYS+ 112   2.13 +/- 0.04  99.993% * 99.4886% (1.00   6.08 233.59) = 100.000%  kept
          QG1   VAL   42 - HA    LYS+ 112  11.42 +/- 0.20   0.004% *  0.2736% (0.84   0.02   0.02) =   0.000%
          QB    ALA   47 - HA    LYS+ 112  12.26 +/- 0.52   0.003% *  0.2378% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1422 (1.05, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 233.6:
    * O T HG3   LYS+ 112 - HA    LYS+ 112   3.44 +/- 0.04  99.624% * 99.3121% (1.00   5.76 233.59) =  99.999%  kept
          HG    LEU   63 - HA    LYS+ 112  10.62 +/- 1.30   0.147% *  0.2635% (0.76   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    LYS+ 112   9.56 +/- 0.31   0.221% *  0.1294% (0.38   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    LYS+ 112  17.34 +/- 0.30   0.006% *  0.0860% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LYS+ 112  23.18 +/- 0.54   0.001% *  0.2091% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1423 (1.20, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.779, support = 6.23, residual support = 233.6:
      O T HB3   LYS+ 112 - HA    LYS+ 112   2.66 +/- 0.02  93.502% * 47.0387% (0.76   6.29 233.59) =  93.534%  kept
    *   T HD2   LYS+ 112 - HA    LYS+ 112   4.24 +/- 0.08   5.793% * 52.4770% (1.00   5.37 233.59) =   6.465%  kept
          HG3   LYS+ 111 - HA    LYS+ 112   6.40 +/- 0.51   0.673% *  0.0734% (0.38   0.02  25.46) =   0.001%
          QG2   THR   94 - HA    LYS+ 112  10.19 +/- 0.41   0.031% *  0.1566% (0.80   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 112  17.41 +/- 0.36   0.001% *  0.0604% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 112  22.78 +/- 0.41   0.000% *  0.1939% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 233.6:
    * O T HA    LYS+ 112 - HB2   LYS+ 112   2.99 +/- 0.01  99.879% * 98.7855% (1.00   6.00 233.59) = 100.000%  kept
          HB2   HIS  122 - HB    VAL   42   9.67 +/- 0.55   0.095% *  0.2490% (0.76   0.02   0.02) =   0.000%
          HB    THR   46 - HB    VAL   42  13.23 +/- 0.79   0.014% *  0.1796% (0.55   0.02   0.02) =   0.000%
        T HA    LYS+ 112 - HB    VAL   42  16.04 +/- 0.25   0.004% *  0.2776% (0.84   0.02   0.02) =   0.000%
          HB2   HIS  122 - HB2   LYS+ 112  16.65 +/- 0.44   0.003% *  0.2953% (0.90   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LYS+ 112  16.08 +/- 0.30   0.004% *  0.2130% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 0.79, support = 4.93, residual support = 130.3:
      O T QG1   VAL   42 - HB    VAL   42   2.13 +/- 0.02  84.887% * 30.2820% (0.70   4.19  88.32) =  71.116%  kept
    * O T HG2   LYS+ 112 - HB2   LYS+ 112   2.84 +/- 0.04  15.109% * 69.0994% (1.00   6.74 233.59) =  28.884%  kept
        T QB    ALA   47 - HB2   LYS+ 112  12.76 +/- 0.54   0.002% *  0.1489% (0.73   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HB2   LYS+ 112  13.84 +/- 0.20   0.001% *  0.1713% (0.84   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  15.26 +/- 0.26   0.001% *  0.1255% (0.61   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  16.73 +/- 0.35   0.000% *  0.1729% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 233.6:
    * O T HG3   LYS+ 112 - HB2   LYS+ 112   2.27 +/- 0.00  99.742% * 98.4550% (1.00   5.76 233.59) =  99.999%  kept
          HG    LEU   63 - HB    VAL   42   7.41 +/- 1.28   0.199% *  0.2202% (0.64   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    VAL   42   8.41 +/- 0.57   0.043% *  0.0718% (0.21   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB2   LYS+ 112  10.72 +/- 0.44   0.009% *  0.1283% (0.38   0.02   0.02) =   0.000%
          HG    LEU   63 - HB2   LYS+ 112  13.43 +/- 1.31   0.003% *  0.2612% (0.76   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB    VAL   42  13.06 +/- 0.46   0.003% *  0.1081% (0.32   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    VAL   42  14.39 +/- 0.41   0.002% *  0.1748% (0.51   0.02   0.02) =   0.000%
        T HG3   LYS+ 112 - HB    VAL   42  18.43 +/- 0.36   0.000% *  0.2881% (0.84   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB2   LYS+ 112  20.14 +/- 0.26   0.000% *  0.0852% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LYS+ 112  25.04 +/- 0.55   0.000% *  0.2073% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 0.764, support = 6.99, residual support = 233.6:
      O T HB3   LYS+ 112 - HB2   LYS+ 112   1.75 +/- 0.00  98.300% * 97.4271% (0.76   6.99 233.59) =  99.994%  kept
    * O T HD2   LYS+ 112 - HB2   LYS+ 112   3.50 +/- 0.16   1.619% *  0.3649% (1.00   0.02 233.59) =   0.006%
          HB3   LEU   71 - HB    VAL   42   6.97 +/- 0.26   0.026% *  0.3049% (0.84   0.02   0.94) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+ 112   6.33 +/- 0.36   0.050% *  0.1370% (0.38   0.02  25.46) =   0.000%
          QG2   THR   94 - HB    VAL   42   9.75 +/- 0.28   0.003% *  0.2463% (0.68   0.02   0.02) =   0.000%
          QG2   THR   94 - HB2   LYS+ 112  11.86 +/- 0.38   0.001% *  0.2922% (0.80   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    VAL   42  14.40 +/- 0.25   0.000% *  0.0950% (0.26   0.02   0.02) =   0.000%
        T HD2   LYS+ 112 - HB    VAL   42  18.66 +/- 0.34   0.000% *  0.3076% (0.84   0.02   0.02) =   0.000%
        T HB3   LYS+ 112 - HB    VAL   42  18.41 +/- 0.33   0.000% *  0.2351% (0.64   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   42  18.34 +/- 0.31   0.000% *  0.1155% (0.32   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 112  19.16 +/- 0.34   0.000% *  0.1126% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 112  25.68 +/- 0.43   0.000% *  0.3617% (0.99   0.02   0.02) =   0.000%
    Reference assignment eliminated.
    Distance limit 2.67 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 = 233.6:
    * O T HA    LYS+ 112 - HG2   LYS+ 112   2.13 +/- 0.04  99.998% * 99.4944% (1.00   6.08 233.59) = 100.000%  kept
          HB    THR   46 - HG2   LYS+ 112  13.63 +/- 0.35   0.001% *  0.2119% (0.65   0.02   0.02) =   0.000%
          HB2   HIS  122 - HG2   LYS+ 112  15.01 +/- 0.59   0.001% *  0.2937% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1430 (1.37, 0.36, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 233.6:
    * O T HB2   LYS+ 112 - HG2   LYS+ 112   2.84 +/- 0.04  99.795% * 97.6176% (1.00   6.74 233.59) = 100.000%  kept
          HB3   PRO   93 - HG2   LYS+ 112   8.24 +/- 0.26   0.170% *  0.1410% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG2   LYS+ 112  15.86 +/- 0.33   0.003% *  0.2839% (0.98   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG2   LYS+ 112  11.78 +/- 0.37   0.020% *  0.0447% (0.15   0.02   0.02) =   0.000%
        T HB    VAL   42 - HG2   LYS+ 112  16.73 +/- 0.35   0.002% *  0.2740% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG2   LYS+ 112  17.17 +/- 0.73   0.002% *  0.2740% (0.95   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 112  16.75 +/- 0.26   0.002% *  0.1299% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 112  20.44 +/- 0.70   0.001% *  0.2839% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 112  17.32 +/- 0.55   0.002% *  0.0722% (0.25   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 112  19.15 +/- 0.53   0.001% *  0.0805% (0.28   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 112  20.49 +/- 1.21   0.001% *  0.0988% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG2   LYS+ 112  25.84 +/- 1.02   0.000% *  0.2871% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG2   LYS+ 112  28.92 +/- 0.45   0.000% *  0.2598% (0.90   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 112  28.44 +/- 2.06   0.000% *  0.1524% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 233.6:
    * O T HG3   LYS+ 112 - HG2   LYS+ 112   1.75 +/- 0.00  99.996% * 99.4317% (1.00   6.98 233.59) = 100.000%  kept
          HG    LEU   63 - HG2   LYS+ 112  11.18 +/- 1.23   0.002% *  0.2177% (0.76   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG2   LYS+ 112  10.58 +/- 0.26   0.002% *  0.1069% (0.38   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG2   LYS+ 112  18.86 +/- 0.34   0.000% *  0.0710% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   24 - HG2   LYS+ 112  23.38 +/- 0.53   0.000% *  0.1728% (0.61   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 6.56, residual support = 233.6:
    * O T HD2   LYS+ 112 - HG2   LYS+ 112   3.00 +/- 0.06  46.211% * 55.2111% (1.00   6.41 233.59) =  51.830%  kept
      O T HB3   LYS+ 112 - HG2   LYS+ 112   2.93 +/- 0.04  53.451% * 44.3621% (0.76   6.74 233.59) =  48.170%  kept
          HG3   LYS+ 111 - HG2   LYS+ 112   6.96 +/- 0.31   0.315% *  0.0647% (0.38   0.02  25.46) =   0.000%
          QG2   THR   94 - HG2   LYS+ 112  10.74 +/- 0.40   0.023% *  0.1380% (0.80   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG2   LYS+ 112  17.77 +/- 0.32   0.001% *  0.0532% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 112  23.30 +/- 0.48   0.000% *  0.1708% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 233.6:
    * O T HA    LYS+ 112 - HG3   LYS+ 112   3.44 +/- 0.04  99.974% * 99.4670% (1.00   5.76 233.59) = 100.000%  kept
          HB    THR   46 - HG3   LYS+ 112  14.56 +/- 0.35   0.018% *  0.2234% (0.65   0.02   0.02) =   0.000%
          HB2   HIS  122 - HG3   LYS+ 112  16.51 +/- 0.58   0.008% *  0.3097% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 233.6:
    * O T HB2   LYS+ 112 - HG3   LYS+ 112   2.27 +/- 0.00  99.974% * 97.2243% (1.00   5.76 233.59) = 100.000%  kept
          HB3   PRO   93 - HG3   LYS+ 112   9.36 +/- 0.26   0.021% *  0.1643% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 112  17.40 +/- 0.32   0.000% *  0.3308% (0.98   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 112  13.31 +/- 0.38   0.003% *  0.0521% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 112  18.36 +/- 0.69   0.000% *  0.3193% (0.95   0.02   0.02) =   0.000%
        T HB    VAL   42 - HG3   LYS+ 112  18.43 +/- 0.36   0.000% *  0.3193% (0.95   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 112  17.61 +/- 0.26   0.000% *  0.1513% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG3   LYS+ 112  21.94 +/- 0.71   0.000% *  0.3308% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 112  18.28 +/- 0.56   0.000% *  0.0842% (0.25   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 112  20.65 +/- 0.54   0.000% *  0.0938% (0.28   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 112  22.15 +/- 1.22   0.000% *  0.1151% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 112  27.45 +/- 1.03   0.000% *  0.3345% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 112  30.58 +/- 0.46   0.000% *  0.3027% (0.90   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 112  29.57 +/- 2.13   0.000% *  0.1776% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 233.6:
    * O T HG2   LYS+ 112 - HG3   LYS+ 112   1.75 +/- 0.00  99.998% * 99.5547% (1.00   6.98 233.59) = 100.000%  kept
          QB    ALA   47 - HG3   LYS+ 112  11.68 +/- 0.59   0.001% *  0.2071% (0.73   0.02   0.02) =   0.000%
          QG1   VAL   42 - HG3   LYS+ 112  13.40 +/- 0.28   0.001% *  0.2382% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 0.945, support = 5.75, residual support = 233.6:
    * O T HD2   LYS+ 112 - HG3   LYS+ 112   2.35 +/- 0.04  75.474% * 51.0629% (1.00   5.44 233.59) =  76.496%  kept
      O   HB3   LYS+ 112 - HG3   LYS+ 112   2.84 +/- 0.04  24.430% * 48.4723% (0.76   6.76 233.59) =  23.504%  kept
          HG3   LYS+ 111 - HG3   LYS+ 112   7.31 +/- 0.30   0.091% *  0.0705% (0.38   0.02  25.46) =   0.000%
          QG2   THR   94 - HG3   LYS+ 112  11.84 +/- 0.44   0.005% *  0.1503% (0.80   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+ 112  18.94 +/- 0.37   0.000% *  0.0579% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG3   LYS+ 112  24.96 +/- 0.50   0.000% *  0.1861% (0.99   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1439 (3.46, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.37, residual support = 233.6:
    *   T HA    LYS+ 112 - HD2   LYS+ 112   4.24 +/- 0.08  99.919% * 99.4279% (1.00   5.37 233.59) = 100.000%  kept
          HB2   HIS  122 - HD2   LYS+ 112  15.65 +/- 0.62   0.041% *  0.3324% (0.90   0.02   0.02) =   0.000%
          HB    THR   46 - HD2   LYS+ 112  15.69 +/- 0.40   0.040% *  0.2397% (0.65   0.02   0.02) =   0.000%
    Distance limit 5.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1440 (1.37, 1.20, 29.98 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 233.6:
    * O T HB2   LYS+ 112 - HD2   LYS+ 112   3.50 +/- 0.16  99.822% * 97.3640% (1.00   6.08 233.59) = 100.000%  kept
          HB3   PRO   93 - HD2   LYS+ 112  10.86 +/- 0.28   0.119% *  0.1560% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HD2   LYS+ 112  17.47 +/- 0.71   0.007% *  0.3032% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HD2   LYS+ 112  18.44 +/- 0.33   0.005% *  0.3142% (0.98   0.02   0.02) =   0.000%
        T HB    VAL   42 - HD2   LYS+ 112  18.66 +/- 0.34   0.004% *  0.3032% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 112  14.00 +/- 0.40   0.026% *  0.0495% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 112  17.12 +/- 0.63   0.008% *  0.0799% (0.25   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 112  19.07 +/- 0.26   0.004% *  0.1437% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD2   LYS+ 112  22.69 +/- 0.66   0.001% *  0.3142% (0.98   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 112  21.36 +/- 0.51   0.002% *  0.0891% (0.28   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 112  23.02 +/- 1.18   0.001% *  0.1093% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HD2   LYS+ 112  28.20 +/- 1.11   0.000% *  0.3177% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HD2   LYS+ 112  30.93 +/- 0.54   0.000% *  0.2874% (0.90   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 112  29.21 +/- 2.22   0.000% *  0.1686% (0.53   0.02   0.02) =   0.000%
    Distance limit 5.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1441 (0.36, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.41, residual support = 233.6:
    * O T HG2   LYS+ 112 - HD2   LYS+ 112   3.00 +/- 0.06  99.974% * 99.5149% (1.00   6.41 233.59) = 100.000%  kept
          QB    ALA   47 - HD2   LYS+ 112  13.15 +/- 0.59   0.015% *  0.2256% (0.73   0.02   0.02) =   0.000%
          QG1   VAL   42 - HD2   LYS+ 112  13.69 +/- 0.28   0.011% *  0.2595% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1442 (1.05, 1.20, 29.98 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 233.6:
    * O T HG3   LYS+ 112 - HD2   LYS+ 112   2.35 +/- 0.04  99.990% * 99.2718% (1.00   5.44 233.59) = 100.000%  kept
          HG    LEU   63 - HD2   LYS+ 112  12.37 +/- 1.26   0.006% *  0.2789% (0.76   0.02   0.02) =   0.000%
          QG2   VAL  108 - HD2   LYS+ 112  12.91 +/- 0.31   0.004% *  0.1370% (0.38   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD2   LYS+ 112  20.96 +/- 0.34   0.000% *  0.0910% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   24 - HD2   LYS+ 112  25.64 +/- 0.52   0.000% *  0.2214% (0.61   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1443 (1.20, 1.20, 29.98 ppm):
    1 diagonal assignment:
    *     HD2   LYS+ 112 - HD2   LYS+ 112  (1.00)  kept
 
    Peak 1444 (4.37, 4.37, 57.38 ppm):
    1 diagonal assignment:
    *     HA    ASP- 113 - HA    ASP- 113  (1.00)  kept
 
    Peak 1445 (2.68, 4.37, 57.38 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.0, residual support = 13.6:
    * O T QB    ASP- 113 - HA    ASP- 113   2.53 +/- 0.04 100.000% *100.0000% (1.00   2.00  13.59) = 100.000%  kept
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1446 (4.37, 2.68, 39.79 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 13.6:
    * O T HA    ASP- 113 - QB    ASP- 113   2.53 +/- 0.04  99.970% * 96.8416% (1.00   2.00  13.59) = 100.000%  kept
          HA    ILE   56 - QB    ASP- 113  10.54 +/- 0.21   0.019% *  0.6265% (0.65   0.02   0.02) =   0.000%
        T HA    PHE   59 - QB    ASP- 113  12.03 +/- 0.40   0.009% *  0.5483% (0.57   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    ASP- 113  15.77 +/- 0.20   0.002% *  0.5095% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    ASP- 113  21.26 +/- 0.25   0.000% *  0.8089% (0.84   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    ASP- 113  25.94 +/- 0.39   0.000% *  0.6652% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 0.903, support = 3.21, residual support = 52.1:
    * O T QB    GLU- 114 - HA    GLU- 114   2.36 +/- 0.02  67.259% * 79.8710% (0.97   3.00  38.70) =  92.876%  kept
      O T HB2   LEU  115 - HA    LEU  115   2.76 +/- 0.14  27.233% * 15.0751% (0.09   6.00 227.84) =   7.098%  kept
        T QB    GLU- 114 - HA    LEU  115   3.92 +/- 0.01   3.162% *  0.2451% (0.44   0.02  13.72) =   0.013%
          HB2   LYS+ 111 - HA    GLU- 114   4.50 +/- 0.64   1.709% *  0.4007% (0.73   0.02   6.19) =   0.012%
          HB2   LYS+ 111 - HA    LEU  115   6.07 +/- 0.47   0.248% *  0.1844% (0.33   0.02   0.02) =   0.001%
        T HB2   LEU  115 - HA    GLU- 114   5.58 +/- 0.05   0.384% *  0.1092% (0.20   0.02  13.72) =   0.001%
          HG3   PRO   58 - HA    LEU  115  12.23 +/- 0.30   0.003% *  0.0565% (0.10   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  15.65 +/- 0.37   0.001% *  0.1228% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  18.41 +/- 0.39   0.000% *  0.2203% (0.40   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  19.46 +/- 0.22   0.000% *  0.2344% (0.42   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  22.60 +/- 0.40   0.000% *  0.4786% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LEU  115  20.17 +/- 0.41   0.000% *  0.2033% (0.37   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  23.70 +/- 0.25   0.000% *  0.5093% (0.92   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LEU  115  20.49 +/- 0.65   0.000% *  0.2033% (0.37   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  18.95 +/- 0.36   0.000% *  0.1044% (0.19   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 114  24.39 +/- 0.68   0.000% *  0.4418% (0.80   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 114  24.86 +/- 0.40   0.000% *  0.4418% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 114  23.32 +/- 0.35   0.000% *  0.2268% (0.41   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU- 114  32.06 +/- 0.41   0.000% *  0.5219% (0.95   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU  115  28.85 +/- 0.36   0.000% *  0.2402% (0.44   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  22.24 +/- 0.70   0.000% *  0.0344% (0.06   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 114  26.03 +/- 0.70   0.000% *  0.0747% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.92 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 = 0.998, support = 3.31, residual support = 38.7:
    * O T QG    GLU- 114 - HA    GLU- 114   2.72 +/- 0.15  98.790% * 95.9272% (1.00   3.31  38.70) =  99.997%  kept
        T QG    GLU- 114 - HA    LEU  115   5.72 +/- 0.03   1.183% *  0.2666% (0.46   0.02  13.72) =   0.003%
          HG2   MET   92 - HA    GLU- 114  13.77 +/- 1.32   0.007% *  0.5792% (1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    LEU  115  12.62 +/- 1.13   0.012% *  0.2666% (0.46   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU- 114  16.05 +/- 0.53   0.002% *  0.3987% (0.69   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    LEU  115  14.45 +/- 0.42   0.005% *  0.1835% (0.32   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    LEU  115  22.20 +/- 0.49   0.000% *  0.2619% (0.45   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU- 114  25.32 +/- 0.49   0.000% *  0.5690% (0.98   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU- 114  31.20 +/- 0.67   0.000% *  0.5792% (1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    LEU  115  28.19 +/- 0.78   0.000% *  0.2666% (0.46   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU- 114  33.81 +/- 0.43   0.000% *  0.2826% (0.49   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    LEU  115  30.68 +/- 0.38   0.000% *  0.1300% (0.22   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLU- 114  33.85 +/- 2.04   0.000% *  0.1980% (0.34   0.02   0.02) =   0.000%
          QB    MET   11 - HA    LEU  115  29.97 +/- 2.04   0.000% *  0.0911% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.965, support = 3.0, residual support = 38.7:
    * O T HA    GLU- 114 - QB    GLU- 114   2.36 +/- 0.02  95.479% * 97.1865% (0.97   3.00  38.70) =  99.978%  kept
        T HA    LEU  115 - QB    GLU- 114   3.92 +/- 0.01   4.511% *  0.4451% (0.66   0.02  13.72) =   0.022%
          HA    CYS   53 - QB    GLU- 114  11.37 +/- 0.23   0.008% *  0.1282% (0.19   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    GLU- 114  18.20 +/- 0.49   0.000% *  0.6253% (0.93   0.02   0.02) =   0.000%
        T HA    ARG+  54 - QB    GLU- 114  14.90 +/- 0.28   0.002% *  0.1135% (0.17   0.02   0.02) =   0.000%
          HA    ALA   34 - QB    GLU- 114  21.16 +/- 0.33   0.000% *  0.5412% (0.81   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    GLU- 114  21.74 +/- 0.50   0.000% *  0.4191% (0.62   0.02   0.02) =   0.000%
          HA    THR   26 - QB    GLU- 114  24.64 +/- 0.41   0.000% *  0.5412% (0.81   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1452 (2.00, 2.00, 29.90 ppm):
    1 diagonal assignment:
    *     QB    GLU- 114 - QB    GLU- 114  (0.93)  kept
 
    Peak 1453 (2.31, 2.00, 29.90 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 3.31, residual support = 38.7:
    * O T QG    GLU- 114 - QB    GLU- 114   2.07 +/- 0.03  99.989% * 97.3545% (0.96   3.31  38.70) = 100.000%  kept
          HG2   MET   92 - QB    GLU- 114  10.24 +/- 1.18   0.008% *  0.5878% (0.96   0.02   0.02) =   0.000%
          HG2   PRO   52 - QB    GLU- 114  12.42 +/- 0.57   0.002% *  0.4047% (0.66   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    GLU- 114  20.38 +/- 0.45   0.000% *  0.5775% (0.95   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    GLU- 114  26.77 +/- 0.59   0.000% *  0.5878% (0.96   0.02   0.02) =   0.000%
        T HG3   GLU-  25 - QB    GLU- 114  28.15 +/- 0.40   0.000% *  0.2868% (0.47   0.02   0.02) =   0.000%
          QB    MET   11 - QB    GLU- 114  29.51 +/- 1.96   0.000% *  0.2010% (0.33   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 0.998, support = 3.31, residual support = 38.7:
    * O T HA    GLU- 114 - QG    GLU- 114   2.72 +/- 0.15  98.800% * 97.4451% (1.00   3.31  38.70) =  99.995%  kept
        T HA    LEU  115 - QG    GLU- 114   5.72 +/- 0.03   1.183% *  0.4041% (0.69   0.02  13.72) =   0.005%
          HA    CYS   53 - QG    GLU- 114  12.25 +/- 0.25   0.013% *  0.1164% (0.20   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG    GLU- 114  19.90 +/- 0.51   0.001% *  0.5678% (0.96   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    GLU- 114  15.66 +/- 0.29   0.003% *  0.1030% (0.17   0.02   0.02) =   0.000%
          HA    ALA   34 - QG    GLU- 114  23.20 +/- 0.34   0.000% *  0.4914% (0.83   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    GLU- 114  23.38 +/- 0.52   0.000% *  0.3806% (0.65   0.02   0.02) =   0.000%
          HA    THR   26 - QG    GLU- 114  26.34 +/- 0.37   0.000% *  0.4914% (0.83   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1455 (2.00, 2.31, 37.32 ppm):
    11 chemical-shift based assignments, quality = 0.904, support = 2.86, residual support = 30.7:
    * O T QB    GLU- 114 - QG    GLU- 114   2.07 +/- 0.03  50.635% * 73.0580% (0.96   3.31  38.70) =  75.403%  kept
          HB2   LYS+ 111 - QG    GLU- 114   2.16 +/- 0.48  49.218% * 24.5172% (0.72   1.48   6.19) =  24.596%  kept
          HB2   LEU  115 - QG    GLU- 114   5.48 +/- 0.11   0.146% *  0.0905% (0.20   0.02  13.72) =   0.000%
          HG3   PRO   58 - QG    GLU- 114  14.32 +/- 0.36   0.000% *  0.1018% (0.22   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLU- 114  21.60 +/- 0.25   0.000% *  0.4219% (0.92   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLU- 114  22.04 +/- 0.32   0.000% *  0.3965% (0.87   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG    GLU- 114  22.90 +/- 0.57   0.000% *  0.3660% (0.80   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG    GLU- 114  22.98 +/- 0.39   0.000% *  0.3660% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG    GLU- 114  22.49 +/- 0.29   0.000% *  0.1879% (0.41   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLU- 114  28.11 +/- 0.38   0.000% *  0.4324% (0.94   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLU- 114  23.42 +/- 0.62   0.000% *  0.0619% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.69 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 = 0.716, support = 5.65, residual support = 206.3:
    * O T HB2   LEU  115 - HA    LEU  115   2.76 +/- 0.14  23.149% * 83.9777% (0.84   6.00 227.84) =  83.851%  kept
      O T QB    GLU- 114 - HA    GLU- 114   2.36 +/- 0.02  57.123% *  3.5459% (0.07   3.00  38.70) =   8.737%  kept
      O   HB3   ARG+  54 - HA    ARG+  54   2.94 +/- 0.19  16.509% * 10.3924% (0.13   4.76 161.14) =   7.400%  kept
        T QB    GLU- 114 - HA    LEU  115   3.92 +/- 0.01   2.688% *  0.0864% (0.26   0.02  13.72) =   0.010%
          HG3   PRO   58 - HA    ARG+  54   6.11 +/- 0.19   0.191% *  0.1566% (0.47   0.02   0.02) =   0.001%
        T HB2   LEU  115 - HA    GLU- 114   5.58 +/- 0.05   0.326% *  0.0766% (0.23   0.02  13.72) =   0.001%
          HG3   PRO   58 - HA    LEU  115  12.23 +/- 0.30   0.003% *  0.2793% (0.83   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    LEU  115  13.15 +/- 0.56   0.002% *  0.2241% (0.67   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HA    ARG+  54  12.75 +/- 0.18   0.002% *  0.1569% (0.47   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ARG+  54  14.05 +/- 0.45   0.001% *  0.0826% (0.25   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU  115  16.27 +/- 0.85   0.001% *  0.1473% (0.44   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU  115  15.58 +/- 0.29   0.001% *  0.0778% (0.23   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  15.65 +/- 0.37   0.001% *  0.0764% (0.23   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HA    ARG+  54  14.90 +/- 0.28   0.001% *  0.0484% (0.14   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    ARG+  54  18.42 +/- 0.56   0.000% *  0.1257% (0.37   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  18.41 +/- 0.39   0.000% *  0.1255% (0.37   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    GLU- 114  17.40 +/- 0.51   0.000% *  0.0613% (0.18   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  19.46 +/- 0.22   0.000% *  0.1051% (0.31   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ARG+  54  19.16 +/- 0.39   0.000% *  0.0589% (0.18   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ARG+  54  21.46 +/- 0.25   0.000% *  0.0704% (0.21   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU- 114  18.25 +/- 0.37   0.000% *  0.0213% (0.06   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU- 114  20.88 +/- 0.85   0.000% *  0.0403% (0.12   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  22.60 +/- 0.40   0.000% *  0.0343% (0.10   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  23.70 +/- 0.25   0.000% *  0.0287% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 0.389, support = 6.13, residual support = 227.8:
      O T HB3   LEU  115 - HA    LEU  115   2.28 +/- 0.17  87.224% * 25.7454% (0.26   6.14 227.84) =  71.835%  kept
    * O T HG    LEU  115 - HA    LEU  115   3.44 +/- 0.47  12.231% * 71.9809% (0.72   6.11 227.84) =  28.164%  kept
          QB    ALA  120 - HA    LEU  115   7.51 +/- 0.08   0.065% *  0.2357% (0.72   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    GLU- 114   6.59 +/- 0.55   0.163% *  0.0645% (0.20   0.02  13.72) =   0.000%
        T HB3   LEU  115 - HA    GLU- 114   6.30 +/- 0.23   0.193% *  0.0229% (0.07   0.02  13.72) =   0.000%
          QB    ALA  120 - HA    GLU- 114   8.05 +/- 0.18   0.043% *  0.0645% (0.20   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU  115   8.66 +/- 1.25   0.040% *  0.0605% (0.19   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ARG+  54  12.60 +/- 0.24   0.003% *  0.1322% (0.41   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    LEU  115  12.49 +/- 0.89   0.003% *  0.1117% (0.34   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU- 114   9.85 +/- 1.65   0.022% *  0.0166% (0.05   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    LEU  115  15.16 +/- 0.27   0.001% *  0.2693% (0.83   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ARG+  54  13.91 +/- 0.64   0.002% *  0.0924% (0.28   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    LEU  115  13.72 +/- 0.45   0.002% *  0.0839% (0.26   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ARG+  54  12.70 +/- 0.23   0.003% *  0.0470% (0.14   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU  115  17.31 +/- 0.53   0.000% *  0.1648% (0.51   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ARG+  54  14.39 +/- 0.97   0.001% *  0.0424% (0.13   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  115  15.96 +/- 0.69   0.001% *  0.0756% (0.23   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ARG+  54  17.72 +/- 0.12   0.000% *  0.1322% (0.41   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    GLU- 114  18.35 +/- 0.34   0.000% *  0.0737% (0.23   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU- 114  16.45 +/- 0.73   0.001% *  0.0306% (0.09   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    LEU  115  20.25 +/- 0.53   0.000% *  0.0927% (0.28   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    ARG+  54  19.35 +/- 1.15   0.000% *  0.0626% (0.19   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ARG+  54  19.18 +/- 0.67   0.000% *  0.0520% (0.16   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    GLU- 114  16.91 +/- 0.30   0.001% *  0.0229% (0.07   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    ARG+  54  23.50 +/- 0.77   0.000% *  0.1510% (0.46   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU- 114  21.56 +/- 0.50   0.000% *  0.0451% (0.14   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ARG+  54  22.23 +/- 1.18   0.000% *  0.0470% (0.14   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ARG+  54  22.17 +/- 0.85   0.000% *  0.0339% (0.10   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU- 114  20.55 +/- 0.76   0.000% *  0.0207% (0.06   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    GLU- 114  23.42 +/- 0.54   0.000% *  0.0254% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.835, support = 6.0, residual support = 227.8:
    *   T QD1   LEU  115 - HA    LEU  115   4.00 +/- 0.13  94.948% * 99.1508% (0.84   6.00 227.84) =  99.994%  kept
        T QD1   LEU  115 - HA    GLU- 114   6.85 +/- 0.16   3.962% *  0.0904% (0.23   0.02  13.72) =   0.004%
        T QD1   LEU  115 - HA    ARG+  54   8.64 +/- 0.18   0.965% *  0.1853% (0.47   0.02   0.02) =   0.002%
          QG1   VAL   75 - HA    LEU  115  14.45 +/- 0.75   0.048% *  0.3126% (0.79   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    ARG+  54  13.87 +/- 0.65   0.059% *  0.1753% (0.44   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    GLU- 114  16.94 +/- 0.70   0.018% *  0.0855% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1461 (0.59, 4.12, 59.41 ppm):
    21 chemical-shift based assignments, quality = 0.806, support = 7.24, residual support = 227.8:
    *   T QD2   LEU  115 - HA    LEU  115   3.16 +/- 0.19  91.200% * 97.5783% (0.81   7.24 227.84) =  99.983%  kept
          QD1   LEU   63 - HA    LEU  115   5.40 +/- 0.62   4.317% *  0.2643% (0.79   0.02   0.02) =   0.013%
          QD2   LEU   63 - HA    LEU  115   6.24 +/- 0.65   1.783% *  0.1049% (0.31   0.02   0.02) =   0.002%
        T QD2   LEU  115 - HA    GLU- 114   6.04 +/- 0.26   2.239% *  0.0738% (0.22   0.02  13.72) =   0.002%
          QD1   LEU   63 - HA    GLU- 114   9.27 +/- 0.59   0.152% *  0.0723% (0.22   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HA    ARG+  54  10.51 +/- 0.23   0.069% *  0.1512% (0.45   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    ARG+  54  11.24 +/- 0.41   0.047% *  0.1482% (0.44   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    LEU  115  12.31 +/- 0.39   0.027% *  0.2135% (0.64   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    GLU- 114   9.88 +/- 0.59   0.102% *  0.0287% (0.09   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    LEU  115  15.82 +/- 0.36   0.006% *  0.2643% (0.79   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    ARG+  54  12.87 +/- 0.93   0.026% *  0.0588% (0.18   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLU- 114  13.77 +/- 0.26   0.014% *  0.0584% (0.17   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  115  19.02 +/- 0.84   0.002% *  0.2643% (0.79   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    ARG+  54  17.39 +/- 0.44   0.003% *  0.1482% (0.44   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    ARG+  54  17.98 +/- 0.92   0.003% *  0.1482% (0.44   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  115  18.80 +/- 0.78   0.002% *  0.0862% (0.26   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLU- 114  18.85 +/- 0.36   0.002% *  0.0723% (0.22   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ARG+  54  21.81 +/- 0.52   0.001% *  0.1197% (0.36   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    ARG+  54  19.73 +/- 1.04   0.002% *  0.0484% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLU- 114  21.47 +/- 0.81   0.001% *  0.0723% (0.22   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLU- 114  20.80 +/- 0.72   0.001% *  0.0236% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 2 structures by 0.02 A, kept.
 
    Peak 1462 (4.12, 1.98, 42.01 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 6.0, residual support = 227.8:
    * O T HA    LEU  115 - HB2   LEU  115   2.76 +/- 0.14  98.493% * 98.0973% (0.84   6.00 227.84) =  99.998%  kept
        T HA    GLU- 114 - HB2   LEU  115   5.58 +/- 0.05   1.494% *  0.1335% (0.34   0.02  13.72) =   0.002%
        T HA    ARG+  54 - HB2   LEU  115  12.75 +/- 0.18   0.010% *  0.3614% (0.92   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   LEU  115  18.06 +/- 0.41   0.001% *  0.3270% (0.84   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   LEU  115  21.19 +/- 0.47   0.000% *  0.1609% (0.41   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   LEU  115  21.89 +/- 0.74   0.000% *  0.1906% (0.49   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   LEU  115  23.30 +/- 0.52   0.000% *  0.2689% (0.69   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   LEU  115  24.48 +/- 0.69   0.000% *  0.3396% (0.87   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   LEU  115  28.73 +/- 0.51   0.000% *  0.1208% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 0.422, support = 6.16, residual support = 227.8:
      O T HB3   LEU  115 - HB2   LEU  115   1.75 +/- 0.00  91.821% * 25.5840% (0.31   6.14 227.84) =  79.676%  kept
    * O T HG    LEU  115 - HB2   LEU  115   2.69 +/- 0.25   8.172% * 73.3287% (0.87   6.26 227.84) =  20.324%  kept
          QB    ALA  120 - HB2   LEU  115   9.06 +/- 0.22   0.005% *  0.2342% (0.87   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  115  11.32 +/- 1.21   0.002% *  0.0601% (0.22   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU  115  14.23 +/- 1.09   0.000% *  0.1110% (0.41   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HB2   LEU  115  17.26 +/- 0.45   0.000% *  0.2676% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU  115  17.14 +/- 0.73   0.000% *  0.1638% (0.61   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU  115  15.77 +/- 0.70   0.000% *  0.0833% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  115  16.18 +/- 0.83   0.000% *  0.0751% (0.28   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  115  20.60 +/- 0.56   0.000% *  0.0921% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1465 (0.43, 1.98, 42.01 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 227.8:
    * O T QD1   LEU  115 - HB2   LEU  115   2.31 +/- 0.09  99.998% * 99.6857% (1.00   6.00 227.84) = 100.000%  kept
          QG1   VAL   75 - HB2   LEU  115  14.25 +/- 0.94   0.002% *  0.3143% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 227.8:
    * O T QD2   LEU  115 - HB2   LEU  115   2.88 +/- 0.44  97.635% * 98.7875% (0.97   7.24 227.84) =  99.994%  kept
          QD1   LEU   63 - HB2   LEU  115   6.29 +/- 0.69   1.771% *  0.2676% (0.95   0.02   0.02) =   0.005%
          QD2   LEU   63 - HB2   LEU  115   7.50 +/- 0.83   0.577% *  0.1062% (0.38   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB2   LEU  115  14.39 +/- 0.49   0.009% *  0.2162% (0.76   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   LEU  115  16.49 +/- 0.56   0.004% *  0.2676% (0.95   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  115  18.99 +/- 0.89   0.002% *  0.2676% (0.95   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  115  19.01 +/- 0.76   0.002% *  0.0873% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1467 (4.12, 1.48, 26.92 ppm):
    18 chemical-shift based assignments, quality = 0.724, support = 6.11, residual support = 227.8:
    * O T HA    LEU  115 - HG    LEU  115   3.44 +/- 0.47  95.863% * 97.4052% (0.72   6.11 227.84) =  99.994%  kept
        T HA    GLU- 114 - HG    LEU  115   6.59 +/- 0.55   3.322% *  0.1303% (0.30   0.02  13.72) =   0.005%
          HA    ALA   34 - HG    LEU   40   8.69 +/- 0.40   0.475% *  0.0891% (0.20   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG    LEU  115  12.60 +/- 0.24   0.049% *  0.3525% (0.80   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU   40  10.27 +/- 0.62   0.169% *  0.0631% (0.14   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG    LEU   40  13.72 +/- 0.45   0.031% *  0.1083% (0.25   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU  115  16.64 +/- 1.00   0.008% *  0.3190% (0.72   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU   40  14.84 +/- 0.80   0.019% *  0.1125% (0.26   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU   40  15.00 +/- 1.03   0.019% *  0.1083% (0.25   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   40  13.70 +/- 0.19   0.029% *  0.0400% (0.09   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HG    LEU   40  16.91 +/- 0.30   0.008% *  0.0442% (0.10   0.02   0.02) =   0.000%
          HA    ALA   34 - HG    LEU  115  23.39 +/- 1.27   0.001% *  0.2623% (0.60   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU  115  22.63 +/- 1.23   0.001% *  0.1859% (0.42   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU  115  25.31 +/- 1.32   0.001% *  0.3313% (0.75   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU  115  22.67 +/- 0.70   0.001% *  0.1570% (0.36   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG    LEU   40  22.23 +/- 1.18   0.002% *  0.1197% (0.27   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   40  21.86 +/- 1.16   0.002% *  0.0533% (0.12   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU  115  28.96 +/- 1.32   0.000% *  0.1179% (0.27   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1468 (1.98, 1.48, 26.92 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 6.26, residual support = 227.8:
    * O T HB2   LEU  115 - HG    LEU  115   2.69 +/- 0.25  98.253% * 98.3218% (0.87   6.26 227.84) =  99.998%  kept
          QB    GLU- 114 - HG    LEU  115   5.66 +/- 0.46   1.143% *  0.0969% (0.27   0.02  13.72) =   0.001%
        T HB2   LEU   67 - HG    LEU   40   6.88 +/- 0.83   0.473% *  0.0854% (0.24   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU  115   9.45 +/- 0.29   0.056% *  0.3134% (0.87   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HG    LEU  115  13.81 +/- 1.24   0.009% *  0.2515% (0.69   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU   40  12.72 +/- 2.00   0.016% *  0.0561% (0.16   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU   40  11.86 +/- 1.23   0.018% *  0.0400% (0.11   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU  115  13.28 +/- 0.40   0.007% *  0.0873% (0.24   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU  115  16.05 +/- 1.23   0.003% *  0.1652% (0.46   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   40  12.62 +/- 0.48   0.010% *  0.0478% (0.13   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HG    LEU   40  15.77 +/- 0.70   0.003% *  0.1067% (0.29   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU  115  18.36 +/- 0.95   0.001% *  0.1408% (0.39   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   40  14.39 +/- 0.42   0.005% *  0.0329% (0.09   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU  115  20.07 +/- 1.21   0.001% *  0.1179% (0.33   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   40  20.57 +/- 0.91   0.001% *  0.1064% (0.29   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU   40  24.25 +/- 1.07   0.000% *  0.0297% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1469 (1.48, 1.48, 26.92 ppm):
    2 diagonal assignments:
    *     HG    LEU  115 - HG    LEU  115  (0.75)  kept
          HG    LEU   40 - HG    LEU   40  (0.09)  kept
 
    Peak 1470 (0.43, 1.48, 26.92 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.11, residual support = 227.8:
    * O T QD1   LEU  115 - HG    LEU  115   2.10 +/- 0.02  99.996% * 99.4765% (0.87   6.11 227.84) = 100.000%  kept
          QG1   VAL   75 - HG    LEU  115  15.20 +/- 0.88   0.001% *  0.3082% (0.82   0.02   0.02) =   0.000%
          QG1   VAL   75 - HG    LEU   40  13.30 +/- 1.19   0.002% *  0.1047% (0.28   0.02   0.02) =   0.000%
        T QD1   LEU  115 - HG    LEU   40  13.45 +/- 0.66   0.002% *  0.1106% (0.29   0.02   0.02) =   0.000%
    Distance limit 4.98 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 = 7.31, residual support = 227.8:
    * O T QD2   LEU  115 - HG    LEU  115   2.09 +/- 0.01  91.806% * 98.3094% (0.84   7.31 227.84) =  99.992%  kept
          QD1   LEU  104 - HG    LEU   40   4.62 +/- 1.43   7.372% *  0.0723% (0.23   0.02   0.02) =   0.006%
          QD1   LEU   63 - HG    LEU  115   5.83 +/- 1.05   0.413% *  0.2635% (0.82   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG    LEU  115   6.70 +/- 1.19   0.273% *  0.1045% (0.33   0.02   0.02) =   0.000%
          QD1   LEU   63 - HG    LEU   40   7.90 +/- 0.83   0.041% *  0.0895% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG    LEU   40   7.45 +/- 1.05   0.070% *  0.0355% (0.11   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU   40   8.98 +/- 1.04   0.019% *  0.0895% (0.28   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG    LEU  115  14.52 +/- 0.87   0.001% *  0.2129% (0.66   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HG    LEU   40  12.92 +/- 0.66   0.002% *  0.0913% (0.28   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU  115  16.88 +/- 0.95   0.000% *  0.2635% (0.82   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   40  15.67 +/- 1.43   0.001% *  0.0895% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  115  19.87 +/- 1.22   0.000% *  0.2635% (0.82   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU   40  15.23 +/- 0.94   0.001% *  0.0292% (0.09   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  115  20.05 +/- 1.16   0.000% *  0.0860% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 0.835, support = 6.0, residual support = 227.8:
    *   T HA    LEU  115 - QD1   LEU  115   4.00 +/- 0.13  95.000% * 98.0973% (0.84   6.00 227.84) =  99.990%  kept
        T HA    GLU- 114 - QD1   LEU  115   6.85 +/- 0.16   3.965% *  0.1335% (0.34   0.02  13.72) =   0.006%
        T HA    ARG+  54 - QD1   LEU  115   8.64 +/- 0.18   0.965% *  0.3614% (0.92   0.02   0.02) =   0.004%
          HA    ALA  124 - QD1   LEU  115  15.06 +/- 0.51   0.034% *  0.3270% (0.84   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD1   LEU  115  17.72 +/- 0.36   0.013% *  0.1609% (0.41   0.02   0.02) =   0.000%
          HA    ALA   34 - QD1   LEU  115  19.46 +/- 0.38   0.007% *  0.2689% (0.69   0.02   0.02) =   0.000%
          HA    ASN   28 - QD1   LEU  115  20.58 +/- 0.60   0.005% *  0.3396% (0.87   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD1   LEU  115  19.18 +/- 0.67   0.008% *  0.1906% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD1   LEU  115  24.29 +/- 0.43   0.002% *  0.1208% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1473 (1.98, 0.43, 25.13 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 227.8:
    * O T HB2   LEU  115 - QD1   LEU  115   2.31 +/- 0.09  99.117% * 98.7703% (1.00   6.00 227.84) =  99.999%  kept
          HG3   PRO   58 - QD1   LEU  115   6.37 +/- 0.23   0.231% *  0.3285% (1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - QD1   LEU  115   5.40 +/- 0.23   0.612% *  0.1016% (0.31   0.02  13.72) =   0.001%
          HB3   ARG+  54 - QD1   LEU  115   9.23 +/- 0.24   0.025% *  0.0915% (0.28   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD1   LEU  115  11.52 +/- 0.52   0.007% *  0.2636% (0.80   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   LEU  115  12.33 +/- 0.50   0.005% *  0.1732% (0.53   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   LEU  115  15.29 +/- 0.21   0.001% *  0.1476% (0.45   0.02   0.02) =   0.000%
          HB    ILE   19 - QD1   LEU  115  15.91 +/- 0.35   0.001% *  0.1236% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 0.784, support = 6.11, residual support = 227.8:
    * O T HG    LEU  115 - QD1   LEU  115   2.10 +/- 0.02  67.138% * 72.8400% (0.87   6.11 227.84) =  85.114%  kept
      O T HB3   LEU  115 - QD1   LEU  115   2.37 +/- 0.08  32.830% * 26.0527% (0.31   6.14 227.84) =  14.886%  kept
          QB    ALA  120 - QD1   LEU  115   8.15 +/- 0.20   0.020% *  0.2385% (0.87   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   LEU  115  11.39 +/- 0.84   0.003% *  0.1130% (0.41   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  115  10.63 +/- 0.88   0.004% *  0.0612% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU  115  13.17 +/- 0.52   0.001% *  0.1668% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  115  11.70 +/- 0.61   0.002% *  0.0765% (0.28   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD1   LEU  115  14.62 +/- 0.47   0.001% *  0.2726% (0.99   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD1   LEU  115  13.45 +/- 0.66   0.001% *  0.0849% (0.31   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  115  16.68 +/- 0.51   0.000% *  0.0938% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1475 (0.43, 0.43, 25.13 ppm):
    1 diagonal assignment:
    *     QD1   LEU  115 - QD1   LEU  115  (1.00)  kept
 
    Peak 1476 (0.59, 0.43, 25.13 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 227.8:
    * O T QD2   LEU  115 - QD1   LEU  115   1.97 +/- 0.07  99.016% * 98.7875% (0.97   7.24 227.84) =  99.998%  kept
          QD1   LEU   63 - QD1   LEU  115   4.71 +/- 0.43   0.629% *  0.2676% (0.95   0.02   0.02) =   0.002%
          QD2   LEU   63 - QD1   LEU  115   5.84 +/- 0.83   0.351% *  0.1062% (0.38   0.02   0.02) =   0.000%
          QD1   LEU  104 - QD1   LEU  115  12.82 +/- 0.40   0.001% *  0.2162% (0.76   0.02   0.02) =   0.000%
          QD1   LEU   73 - QD1   LEU  115  13.52 +/- 0.32   0.001% *  0.2676% (0.95   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   LEU  115  15.67 +/- 0.77   0.000% *  0.2676% (0.95   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   LEU  115  16.02 +/- 0.74   0.000% *  0.0873% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 0.806, support = 7.24, residual support = 227.8:
    *   T HA    LEU  115 - QD2   LEU  115   3.16 +/- 0.19  97.494% * 98.4174% (0.81   7.24 227.84) =  99.997%  kept
        T HA    GLU- 114 - QD2   LEU  115   6.04 +/- 0.26   2.404% *  0.1111% (0.33   0.02  13.72) =   0.003%
        T HA    ARG+  54 - QD2   LEU  115  10.51 +/- 0.23   0.073% *  0.3006% (0.89   0.02   0.02) =   0.000%
          HA    ALA  124 - QD2   LEU  115  12.92 +/- 0.30   0.021% *  0.2720% (0.81   0.02   0.02) =   0.000%
          HA    ALA   34 - QD2   LEU  115  19.40 +/- 0.63   0.002% *  0.2237% (0.66   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD2   LEU  115  19.14 +/- 0.57   0.002% *  0.1585% (0.47   0.02   0.02) =   0.000%
          HA    ASN   28 - QD2   LEU  115  21.43 +/- 0.51   0.001% *  0.2824% (0.84   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD2   LEU  115  19.67 +/- 0.31   0.002% *  0.1339% (0.40   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD2   LEU  115  24.10 +/- 0.54   0.001% *  0.1005% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 3 structures by 0.02 A, kept.
 
    Peak 1478 (1.98, 0.59, 23.43 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 227.8:
    * O T HB2   LEU  115 - QD2   LEU  115   2.88 +/- 0.44  96.924% * 98.9784% (0.97   7.24 227.84) =  99.996%  kept
          QB    GLU- 114 - QD2   LEU  115   5.53 +/- 0.19   2.398% *  0.0844% (0.30   0.02  13.72) =   0.002%
          HG3   PRO   58 - QD2   LEU  115   7.30 +/- 0.36   0.554% *  0.2729% (0.96   0.02   0.02) =   0.002%
          HB2   LEU   67 - QD2   LEU  115  10.96 +/- 0.88   0.057% *  0.2190% (0.77   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  115  11.24 +/- 0.17   0.036% *  0.0761% (0.27   0.02   0.02) =   0.000%
          HB    VAL   18 - QD2   LEU  115  13.12 +/- 0.86   0.018% *  0.1439% (0.51   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD2   LEU  115  14.45 +/- 0.74   0.010% *  0.1226% (0.43   0.02   0.02) =   0.000%
          HB    ILE   19 - QD2   LEU  115  16.66 +/- 0.60   0.004% *  0.1027% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 0.778, support = 7.32, residual support = 227.8:
    * O T HG    LEU  115 - QD2   LEU  115   2.09 +/- 0.01  74.198% * 73.0011% (0.84   7.31 227.84) =  89.010%  kept
      O T HB3   LEU  115 - QD2   LEU  115   2.62 +/- 0.43  25.649% * 26.0724% (0.30   7.34 227.84) =  10.989%  kept
          QB    ALA  120 - QD2   LEU  115   6.06 +/- 0.11   0.126% *  0.1996% (0.84   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  115   8.91 +/- 0.91   0.015% *  0.0512% (0.21   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU  115  10.46 +/- 1.21   0.006% *  0.0946% (0.40   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD2   LEU  115  13.96 +/- 0.57   0.001% *  0.2281% (0.96   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  115  11.65 +/- 1.00   0.003% *  0.0640% (0.27   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD2   LEU  115  12.92 +/- 0.66   0.001% *  0.0710% (0.30   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  115  14.50 +/- 0.73   0.001% *  0.1396% (0.59   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  115  17.59 +/- 0.65   0.000% *  0.0785% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1480 (0.43, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 227.8:
    * O T QD1   LEU  115 - QD2   LEU  115   1.97 +/- 0.07  99.999% * 99.7393% (0.97   7.24 227.84) = 100.000%  kept
          QG1   VAL   75 - QD2   LEU  115  13.14 +/- 0.74   0.001% *  0.2607% (0.91   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1481 (0.59, 0.59, 23.43 ppm):
    1 diagonal assignment:
    *     QD2   LEU  115 - QD2   LEU  115  (0.93)  kept
 
    Peak 1482 (4.01, 4.01, 60.31 ppm):
    1 diagonal assignment:
    *     HA    GLN  116 - HA    GLN  116  (1.00)  kept
 
    Peak 1483 (2.37, 4.01, 60.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 115.0:
    * O T HB2   GLN  116 - HA    GLN  116   3.01 +/- 0.03  99.952% * 98.8255% (1.00   5.31 114.99) = 100.000%  kept
          HB2   PRO   58 - HA    GLN  116  11.35 +/- 0.58   0.037% *  0.2106% (0.57   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLN  116  13.92 +/- 0.27   0.010% *  0.3590% (0.97   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLN  116  23.97 +/- 0.55   0.000% *  0.3646% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN  116  25.01 +/- 0.69   0.000% *  0.1668% (0.45   0.02   0.02) =   0.000%
        T QG    GLN   32 - HA    GLN  116  27.62 +/- 0.59   0.000% *  0.0736% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1484 (2.54, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.92, residual support = 115.0:
    * O T HG2   GLN  116 - HA    GLN  116   2.40 +/- 0.19  99.984% * 99.4868% (1.00   4.92 114.99) = 100.000%  kept
          HB3   PHE   95 - HA    GLN  116  10.54 +/- 0.25   0.016% *  0.4008% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    GLN  116  33.68 +/- 0.42   0.000% *  0.1124% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1485 (4.01, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 115.0:
    * O T HA    GLN  116 - HB2   GLN  116   3.01 +/- 0.03  99.997% * 98.2178% (1.00   5.31 114.99) = 100.000%  kept
          HA    VAL   70 - HB2   GLN  116  21.39 +/- 0.29   0.001% *  0.3697% (1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   GLN  116  21.57 +/- 0.30   0.001% *  0.2539% (0.69   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLN  116  23.94 +/- 0.34   0.000% *  0.0922% (0.25   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   GLN  116  23.65 +/- 0.77   0.000% *  0.0732% (0.20   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   GLN  116  31.12 +/- 0.24   0.000% *  0.3207% (0.87   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   GLN  116  28.87 +/- 0.55   0.000% *  0.1799% (0.49   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLN  116  30.90 +/- 0.43   0.000% *  0.2242% (0.61   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   GLN  116  32.41 +/- 0.40   0.000% *  0.2684% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 5.49, residual support = 115.0:
    * O T HG2   GLN  116 - HB2   GLN  116   2.69 +/- 0.11  99.987% * 99.5398% (1.00   5.49 114.99) = 100.000%  kept
          HB3   PHE   95 - HB2   GLN  116  12.02 +/- 0.21   0.013% *  0.3594% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   GLN  116  35.23 +/- 0.46   0.000% *  0.1008% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 1 structures by 0.01 A, kept.
 
    Peak 1488 (4.01, 2.54, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.92, residual support = 115.0:
    * O T HA    GLN  116 - HG2   GLN  116   2.40 +/- 0.19  99.999% * 98.0780% (1.00   4.92 114.99) = 100.000%  kept
          HA    VAL   70 - HG2   GLN  116  20.73 +/- 0.43   0.000% *  0.3987% (1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   GLN  116  20.09 +/- 0.53   0.000% *  0.2738% (0.69   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLN  116  22.55 +/- 0.65   0.000% *  0.0994% (0.25   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   GLN  116  22.18 +/- 0.91   0.000% *  0.0789% (0.20   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   GLN  116  30.67 +/- 0.41   0.000% *  0.3458% (0.87   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   GLN  116  28.45 +/- 0.68   0.000% *  0.1940% (0.49   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLN  116  30.53 +/- 0.67   0.000% *  0.2418% (0.61   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   GLN  116  31.84 +/- 0.42   0.000% *  0.2895% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 5.49, residual support = 115.0:
    * O T HB2   GLN  116 - HG2   GLN  116   2.69 +/- 0.11  99.969% * 98.8628% (1.00   5.49 114.99) = 100.000%  kept
          HB2   PRO   58 - HG2   GLN  116  10.78 +/- 0.79   0.028% *  0.2039% (0.57   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   GLN  116  15.74 +/- 0.35   0.003% *  0.3476% (0.97   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   GLN  116  25.96 +/- 0.53   0.000% *  0.3530% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLN  116  25.04 +/- 0.74   0.000% *  0.1615% (0.45   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLN  116  28.96 +/- 0.65   0.000% *  0.0713% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 1 structures by 0.01 A, kept.
 
    Peak 1490 (2.54, 2.54, 34.75 ppm):
    1 diagonal assignment:
    *     HG2   GLN  116 - HG2   GLN  116  (1.00)  kept
 
    Peak 1491 (4.24, 4.24, 61.69 ppm):
    1 diagonal assignment:
    *     HA    SER  117 - HA    SER  117  (1.00)  kept
 
    Peak 1492 (3.93, 4.24, 61.69 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 1.57, residual support = 16.2:
    * O T QB    SER  117 - HA    SER  117   2.45 +/- 0.10  99.352% * 94.6232% (1.00   1.57  16.20) =  99.996%  kept
          HA    ALA  120 - HA    SER  117   6.03 +/- 0.06   0.458% *  0.4946% (0.41   0.02   5.30) =   0.002%
          HA    LYS+ 121 - HA    SER  117   7.04 +/- 0.22   0.186% *  1.0048% (0.84   0.02   0.02) =   0.002%
          HA    PHE   60 - HA    SER  117  13.43 +/- 0.29   0.004% *  0.7297% (0.61   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER  117  17.27 +/- 0.37   0.001% *  0.9194% (0.76   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER  117  23.14 +/- 0.31   0.000% *  1.0789% (0.90   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    SER  117  24.92 +/- 0.45   0.000% *  0.7782% (0.65   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER  117  24.05 +/- 0.67   0.000% *  0.1856% (0.15   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER  117  25.51 +/- 0.41   0.000% *  0.1856% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 1.57, residual support = 16.2:
    * O T HA    SER  117 - QB    SER  117   2.45 +/- 0.10  99.927% * 96.2121% (1.00   1.57  16.20) = 100.000%  kept
        T HA1   GLY   51 - QB    SER   48   8.51 +/- 0.27   0.059% *  0.0491% (0.04   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER  117  14.63 +/- 0.44   0.002% *  0.6925% (0.57   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  15.08 +/- 0.22   0.002% *  0.4591% (0.38   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  13.40 +/- 0.33   0.004% *  0.1194% (0.10   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   85  14.33 +/- 0.69   0.003% *  0.1511% (0.12   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   48  16.39 +/- 0.51   0.001% *  0.2547% (0.21   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  19.90 +/- 0.32   0.000% *  0.1887% (0.15   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER  117  26.46 +/- 0.62   0.000% *  0.9795% (0.80   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   48  20.87 +/- 0.40   0.000% *  0.1801% (0.15   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   48  24.92 +/- 0.45   0.000% *  0.3181% (0.26   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  19.74 +/- 0.49   0.000% *  0.0708% (0.06   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  18.51 +/- 0.66   0.001% *  0.0291% (0.02   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   85  25.51 +/- 0.41   0.000% *  0.1887% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   85  25.19 +/- 0.31   0.000% *  0.1069% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 6.47, residual support = 253.3:
    * O T HB    ILE  119 - HA    ILE  119   2.99 +/- 0.03  99.938% * 97.6895% (0.87   6.47 253.31) = 100.000%  kept
          HB2   LYS+ 111 - HA    ILE  119  11.75 +/- 0.47   0.028% *  0.1694% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ILE  119  14.56 +/- 0.43   0.008% *  0.2786% (0.80   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    ILE  119  14.22 +/- 0.41   0.009% *  0.2251% (0.65   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    ILE  119  14.21 +/- 0.33   0.009% *  0.0967% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    ILE  119  17.69 +/- 0.26   0.002% *  0.1970% (0.57   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ILE  119  17.64 +/- 0.64   0.002% *  0.1430% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ILE  119  17.95 +/- 0.43   0.002% *  0.1430% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ILE  119  21.33 +/- 0.74   0.001% *  0.3018% (0.87   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ILE  119  21.50 +/- 0.35   0.001% *  0.3212% (0.92   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ILE  119  22.14 +/- 0.74   0.001% *  0.3479% (1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ILE  119  30.03 +/- 0.43   0.000% *  0.0868% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 6.79, residual support = 253.3:
    * O T QG2   ILE  119 - HA    ILE  119   2.59 +/- 0.10  99.401% * 99.1709% (1.00   6.79 253.31) = 100.000%  kept
          QD1   LEU   67 - HA    ILE  119   6.31 +/- 0.36   0.550% *  0.0578% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    ILE  119  10.02 +/- 0.37   0.032% *  0.0511% (0.18   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    ILE  119  14.16 +/- 0.71   0.004% *  0.2762% (0.95   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    ILE  119  12.20 +/- 0.27   0.009% *  0.0812% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  119  14.91 +/- 0.33   0.003% *  0.2532% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  119  18.13 +/- 0.96   0.001% *  0.1096% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1500 (2.26, 3.69, 66.88 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.29, residual support = 253.3:
    * O T HG12  ILE  119 - HA    ILE  119   3.06 +/- 0.34  99.701% * 98.2615% (1.00   6.29 253.31) = 100.000%  kept
          HB2   ASP- 105 - HA    ILE  119   8.57 +/- 0.17   0.241% *  0.0964% (0.31   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ILE  119  12.19 +/- 0.59   0.033% *  0.2021% (0.65   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ILE  119  13.40 +/- 0.44   0.016% *  0.2388% (0.76   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    ILE  119  17.96 +/- 1.08   0.003% *  0.1644% (0.53   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ILE  119  18.77 +/- 0.61   0.002% *  0.2146% (0.69   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ILE  119  20.45 +/- 1.01   0.001% *  0.2610% (0.84   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    ILE  119  21.73 +/- 1.16   0.001% *  0.2146% (0.69   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ILE  119  27.12 +/- 0.45   0.000% *  0.2502% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ILE  119  22.48 +/- 0.72   0.001% *  0.0482% (0.15   0.02   0.02) =   0.000%
          QB    MET   11 - HA    ILE  119  26.91 +/- 1.75   0.000% *  0.0482% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1501 (1.12, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.06, residual support = 253.3:
    * O T HG13  ILE  119 - HA    ILE  119   2.29 +/- 0.09  99.621% * 98.9417% (1.00   6.06 253.31) = 100.000%  kept
          QG1   VAL  107 - HA    ILE  119   6.47 +/- 0.22   0.204% *  0.0504% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ILE  119   7.36 +/- 0.09   0.093% *  0.1008% (0.31   0.02   1.18) =   0.000%
          HD3   LYS+ 112 - HA    ILE  119   9.30 +/- 0.53   0.024% *  0.1719% (0.53   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    ILE  119   7.98 +/- 0.20   0.057% *  0.0504% (0.15   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    ILE  119  18.46 +/- 0.41   0.000% *  0.2244% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    ILE  119  21.99 +/- 0.59   0.000% *  0.3260% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HA    ILE  119  23.58 +/- 0.94   0.000% *  0.1343% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1502 (1.02, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.87, residual support = 253.3:
    *   T QD1   ILE  119 - HA    ILE  119   3.56 +/- 0.15  99.870% * 99.3482% (0.97   5.87 253.31) = 100.000%  kept
          HB2   LEU  104 - HA    ILE  119  12.15 +/- 0.33   0.066% *  0.2547% (0.73   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    ILE  119  12.40 +/- 0.30   0.058% *  0.1986% (0.57   0.02   0.02) =   0.000%
        T HB    VAL   75 - HA    ILE  119  18.19 +/- 0.57   0.006% *  0.1986% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1503 (3.69, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.47, residual support = 253.3:
    * O T HA    ILE  119 - HB    ILE  119   2.99 +/- 0.03  97.702% * 98.8534% (0.87   6.47 253.31) =  99.993%  kept
        T HA    THR  118 - HB    ILE  119   5.59 +/- 0.07   2.290% *  0.2947% (0.84   0.02  35.64) =   0.007%
          HA2   GLY  109 - HB    ILE  119  14.91 +/- 0.40   0.006% *  0.2218% (0.63   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    ILE  119  22.98 +/- 0.49   0.000% *  0.2739% (0.78   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    ILE  119  23.74 +/- 0.30   0.000% *  0.3027% (0.86   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    ILE  119  21.96 +/- 0.41   0.001% *  0.0535% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1504 (2.03, 2.03, 38.31 ppm):
    1 diagonal assignment:
    *     HB    ILE  119 - HB    ILE  119  (0.75)  kept
 
    Peak 1505 (0.96, 2.03, 38.31 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 6.31, residual support = 253.3:
    * O T QG2   ILE  119 - HB    ILE  119   2.13 +/- 0.01  99.974% * 99.1085% (0.87   6.31 253.31) = 100.000%  kept
          QD1   LEU   67 - HB    ILE  119   8.82 +/- 0.37   0.020% *  0.0621% (0.17   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB    ILE  119  15.57 +/- 0.80   0.001% *  0.2970% (0.82   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  119  12.30 +/- 0.39   0.003% *  0.0550% (0.15   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB    ILE  119  13.56 +/- 0.29   0.001% *  0.0873% (0.24   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  119  17.26 +/- 0.39   0.000% *  0.2723% (0.75   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  119  19.87 +/- 0.97   0.000% *  0.1178% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1506 (2.26, 2.03, 38.31 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 5.77, residual support = 253.3:
    * O T HG12  ILE  119 - HB    ILE  119   2.35 +/- 0.09  99.979% * 98.1063% (0.87   5.77 253.31) = 100.000%  kept
          HB2   ASP- 105 - HB    ILE  119  10.17 +/- 0.23   0.016% *  0.1050% (0.27   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB    ILE  119  14.02 +/- 0.62   0.002% *  0.2202% (0.56   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB    ILE  119  15.91 +/- 0.52   0.001% *  0.2601% (0.66   0.02   0.02) =   0.000%
          HG3   MET   92 - HB    ILE  119  18.47 +/- 0.77   0.000% *  0.2338% (0.60   0.02   0.02) =   0.000%
          QG    GLN   90 - HB    ILE  119  21.15 +/- 1.20   0.000% *  0.2843% (0.72   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB    ILE  119  20.44 +/- 1.04   0.000% *  0.1791% (0.46   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB    ILE  119  24.08 +/- 1.13   0.000% *  0.2338% (0.60   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB    ILE  119  29.78 +/- 0.50   0.000% *  0.2725% (0.69   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB    ILE  119  23.83 +/- 0.70   0.000% *  0.0525% (0.13   0.02   0.02) =   0.000%
          QB    MET   11 - HB    ILE  119  29.23 +/- 1.82   0.000% *  0.0525% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1507 (1.12, 2.03, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 5.6, residual support = 253.3:
    * O T HG13  ILE  119 - HB    ILE  119   2.99 +/- 0.04  98.229% * 98.8556% (0.87   5.60 253.31) =  99.998%  kept
          HD3   LYS+ 112 - HB    ILE  119   7.29 +/- 0.55   0.542% *  0.1859% (0.46   0.02   0.02) =   0.001%
        T QG1   VAL  107 - HB    ILE  119   6.76 +/- 0.32   0.784% *  0.0545% (0.13   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB    ILE  119   8.53 +/- 0.15   0.185% *  0.1090% (0.27   0.02   1.18) =   0.000%
        T QG2   VAL  107 - HB    ILE  119   8.13 +/- 0.34   0.258% *  0.0545% (0.13   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    ILE  119  20.20 +/- 0.43   0.001% *  0.2427% (0.60   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    ILE  119  24.57 +/- 0.60   0.000% *  0.3525% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    ILE  119  25.28 +/- 0.99   0.000% *  0.1452% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1508 (1.02, 2.03, 38.31 ppm):
    4 chemical-shift based assignments, quality = 0.837, support = 5.44, residual support = 253.3:
    * O T QD1   ILE  119 - HB    ILE  119   2.52 +/- 0.19  99.990% * 99.2973% (0.84   5.44 253.31) = 100.000%  kept
        T QG2   VAL  108 - HB    ILE  119  12.53 +/- 0.45   0.007% *  0.2141% (0.49   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    ILE  119  14.47 +/- 0.32   0.003% *  0.2746% (0.63   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  119  19.94 +/- 0.63   0.000% *  0.2141% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1509 (3.69, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.79, residual support = 253.3:
    * O T HA    ILE  119 - QG2   ILE  119   2.59 +/- 0.10  99.323% * 98.9069% (1.00   6.79 253.31) =  99.998%  kept
          HA    THR  118 - QG2   ILE  119   6.00 +/- 0.08   0.671% *  0.2810% (0.97   0.02  35.64) =   0.002%
          HA2   GLY  109 - QG2   ILE  119  13.92 +/- 0.25   0.004% *  0.2114% (0.73   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   ILE  119  20.33 +/- 0.22   0.000% *  0.2886% (0.99   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   ILE  119  20.07 +/- 0.30   0.000% *  0.2611% (0.90   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   ILE  119  18.59 +/- 0.30   0.001% *  0.0510% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1510 (2.03, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.31, residual support = 253.3:
    * O T HB    ILE  119 - QG2   ILE  119   2.13 +/- 0.01  99.985% * 97.6325% (0.87   6.31 253.31) = 100.000%  kept
          HB2   LYS+ 111 - QG2   ILE  119  10.65 +/- 0.40   0.006% *  0.1735% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   ILE  119  12.74 +/- 0.52   0.002% *  0.2855% (0.80   0.02   0.02) =   0.000%
          HB    VAL  108 - QG2   ILE  119  13.44 +/- 0.42   0.002% *  0.2306% (0.65   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   ILE  119  14.37 +/- 0.39   0.001% *  0.2018% (0.57   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG2   ILE  119  12.97 +/- 0.32   0.002% *  0.0991% (0.28   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE  119  15.79 +/- 0.60   0.001% *  0.1466% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   ILE  119  15.82 +/- 0.52   0.001% *  0.1466% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   ILE  119  19.92 +/- 0.62   0.000% *  0.3093% (0.87   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   ILE  119  20.46 +/- 0.54   0.000% *  0.3565% (1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   ILE  119  20.31 +/- 0.32   0.000% *  0.3291% (0.92   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE  119  27.11 +/- 0.38   0.000% *  0.0889% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 6.08, residual support = 253.3:
    * O T HG12  ILE  119 - QG2   ILE  119   3.18 +/- 0.05  99.786% * 98.2012% (1.00   6.08 253.31) = 100.000%  kept
          HB2   ASP- 105 - QG2   ILE  119   9.63 +/- 0.13   0.131% *  0.0998% (0.31   0.02   0.02) =   0.000%
          HB2   ASP-  44 - QG2   ILE  119  11.82 +/- 0.57   0.040% *  0.2091% (0.65   0.02   0.02) =   0.000%
          HB3   PHE   72 - QG2   ILE  119  12.79 +/- 0.37   0.024% *  0.2471% (0.76   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   ILE  119  16.57 +/- 0.62   0.005% *  0.2221% (0.69   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   ILE  119  16.09 +/- 0.95   0.006% *  0.1701% (0.53   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   ILE  119  18.62 +/- 0.86   0.003% *  0.2700% (0.84   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE  119  19.15 +/- 1.06   0.002% *  0.2221% (0.69   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   ILE  119  24.71 +/- 0.39   0.000% *  0.2589% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   ILE  119  20.17 +/- 0.61   0.002% *  0.0499% (0.15   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE  119  23.20 +/- 1.57   0.001% *  0.0499% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1513 (1.12, 0.96, 17.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.9, residual support = 253.3:
    * O T HG13  ILE  119 - QG2   ILE  119   2.67 +/- 0.14  98.998% * 98.9146% (1.00   5.90 253.31) =  99.999%  kept
          HD3   LYS+ 112 - QG2   ILE  119   6.89 +/- 0.52   0.378% *  0.1763% (0.53   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QG2   ILE  119   7.73 +/- 0.12   0.170% *  0.1034% (0.31   0.02   1.18) =   0.000%
          QG1   VAL  107 - QG2   ILE  119   7.02 +/- 0.18   0.313% *  0.0517% (0.15   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   ILE  119   8.04 +/- 0.18   0.138% *  0.0517% (0.15   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   ILE  119  16.51 +/- 0.43   0.002% *  0.2302% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   ILE  119  20.77 +/- 0.52   0.000% *  0.3343% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   ILE  119  21.46 +/- 0.77   0.000% *  0.1378% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1514 (1.02, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.75, residual support = 253.3:
    *   T QD1   ILE  119 - QG2   ILE  119   1.83 +/- 0.11  99.997% * 99.3344% (0.97   5.75 253.31) = 100.000%  kept
          QG2   VAL  108 - QG2   ILE  119  11.90 +/- 0.30   0.001% *  0.2028% (0.57   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   ILE  119  12.65 +/- 0.26   0.001% *  0.2601% (0.73   0.02   0.02) =   0.000%
          HB    VAL   75 - QG2   ILE  119  17.10 +/- 0.48   0.000% *  0.2028% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1515 (3.69, 2.26, 30.83 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.29, residual support = 253.3:
    * O T HA    ILE  119 - HG12  ILE  119   3.06 +/- 0.34  97.616% * 98.8203% (1.00   6.29 253.31) =  99.993%  kept
        T HA    THR  118 - HG12  ILE  119   5.85 +/- 0.07   2.362% *  0.3032% (0.97   0.02  35.64) =   0.007%
          HA2   GLY  109 - HG12  ILE  119  13.11 +/- 0.39   0.018% *  0.2282% (0.73   0.02   0.02) =   0.000%
          HA    ALA   84 - HG12  ILE  119  20.97 +/- 0.58   0.001% *  0.2818% (0.90   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG12  ILE  119  21.64 +/- 0.24   0.001% *  0.3114% (0.99   0.02   0.02) =   0.000%
          HA    VAL   75 - HG12  ILE  119  19.84 +/- 0.62   0.001% *  0.0550% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1516 (2.03, 2.26, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.77, residual support = 253.3:
    * O T HB    ILE  119 - HG12  ILE  119   2.35 +/- 0.09  99.963% * 97.4129% (0.87   5.77 253.31) = 100.000%  kept
          HB2   LYS+ 111 - HG12  ILE  119   9.44 +/- 0.60   0.025% *  0.1896% (0.49   0.02   0.02) =   0.000%
          HB    VAL  108 - HG12  ILE  119  12.62 +/- 0.57   0.004% *  0.2520% (0.65   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG12  ILE  119  12.47 +/- 0.44   0.005% *  0.1083% (0.28   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG12  ILE  119  15.39 +/- 0.29   0.001% *  0.2206% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE  119  16.58 +/- 0.71   0.001% *  0.3119% (0.80   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG12  ILE  119  18.81 +/- 0.67   0.000% *  0.1602% (0.41   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE  119  19.32 +/- 0.73   0.000% *  0.1602% (0.41   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG12  ILE  119  23.11 +/- 1.15   0.000% *  0.3896% (1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG12  ILE  119  22.43 +/- 0.92   0.000% *  0.3379% (0.87   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG12  ILE  119  23.57 +/- 0.56   0.000% *  0.3596% (0.92   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE  119  30.51 +/- 0.72   0.000% *  0.0971% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 6.08, residual support = 253.3:
    * O T QG2   ILE  119 - HG12  ILE  119   3.18 +/- 0.05  99.492% * 99.0738% (1.00   6.08 253.31) = 100.000%  kept
          QD1   LEU   67 - HG12  ILE  119   8.22 +/- 0.69   0.419% *  0.0645% (0.20   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG12  ILE  119  14.60 +/- 0.88   0.012% *  0.3085% (0.95   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG12  ILE  119  11.66 +/- 0.57   0.044% *  0.0571% (0.18   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG12  ILE  119  12.84 +/- 0.35   0.024% *  0.0907% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG12  ILE  119  16.22 +/- 0.76   0.006% *  0.2829% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  119  17.80 +/- 1.10   0.004% *  0.1224% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1518 (2.26, 2.26, 30.83 ppm):
    1 diagonal assignment:
    *     HG12  ILE  119 - HG12  ILE  119  (1.00)  kept
 
    Peak 1519 (1.12, 2.26, 30.83 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.41, residual support = 253.3:
    * O T HG13  ILE  119 - HG12  ILE  119   1.75 +/- 0.00  99.808% * 98.8164% (1.00   5.41 253.31) = 100.000%  kept
          HD3   LYS+ 112 - HG12  ILE  119   6.37 +/- 0.54   0.050% *  0.1922% (0.53   0.02   0.02) =   0.000%
          QG1   VAL  107 - HG12  ILE  119   5.60 +/- 0.31   0.100% *  0.0564% (0.15   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG12  ILE  119   6.59 +/- 0.33   0.037% *  0.0564% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HG12  ILE  119   9.42 +/- 0.20   0.004% *  0.1128% (0.31   0.02   1.18) =   0.000%
          QB    ALA   20 - HG12  ILE  119  18.60 +/- 0.59   0.000% *  0.2510% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   31 - HG12  ILE  119  23.20 +/- 0.74   0.000% *  0.3646% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HG12  ILE  119  23.65 +/- 1.06   0.000% *  0.1502% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 5.32, residual support = 253.3:
    * O T QD1   ILE  119 - HG12  ILE  119   2.15 +/- 0.01  99.994% * 99.2808% (0.97   5.32 253.31) = 100.000%  kept
          QG2   VAL  108 - HG12  ILE  119  11.41 +/- 0.41   0.005% *  0.2191% (0.57   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG12  ILE  119  13.93 +/- 0.53   0.001% *  0.2810% (0.73   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  119  17.84 +/- 0.77   0.000% *  0.2191% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1521 (3.69, 1.12, 30.83 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.06, residual support = 253.3:
    * O T HA    ILE  119 - HG13  ILE  119   2.29 +/- 0.09  99.720% * 98.7754% (1.00   6.06 253.31) =  99.999%  kept
        T HA    THR  118 - HG13  ILE  119   6.24 +/- 0.47   0.277% *  0.3148% (0.97   0.02  35.64) =   0.001%
          HA2   GLY  109 - HG13  ILE  119  14.03 +/- 0.60   0.002% *  0.2369% (0.73   0.02   0.02) =   0.000%
          HA    ALA   84 - HG13  ILE  119  21.01 +/- 0.49   0.000% *  0.2925% (0.90   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG13  ILE  119  21.94 +/- 0.27   0.000% *  0.3233% (0.99   0.02   0.02) =   0.000%
          HA    VAL   75 - HG13  ILE  119  19.38 +/- 0.34   0.000% *  0.0571% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1522 (2.03, 1.12, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.6, residual support = 253.3:
    * O T HB    ILE  119 - HG13  ILE  119   2.99 +/- 0.04  99.904% * 97.3368% (0.87   5.60 253.31) = 100.000%  kept
          HB2   LYS+ 111 - HG13  ILE  119  10.82 +/- 0.82   0.049% *  0.1952% (0.49   0.02   0.02) =   0.000%
          HB    VAL  108 - HG13  ILE  119  13.69 +/- 0.78   0.011% *  0.2594% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE  119  14.98 +/- 0.64   0.007% *  0.3211% (0.80   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG13  ILE  119  12.67 +/- 0.47   0.018% *  0.1115% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG13  ILE  119  15.57 +/- 0.30   0.005% *  0.2271% (0.57   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG13  ILE  119  17.47 +/- 0.52   0.003% *  0.1649% (0.41   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG13  ILE  119  18.02 +/- 0.65   0.002% *  0.1649% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG13  ILE  119  21.55 +/- 0.73   0.001% *  0.3479% (0.87   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG13  ILE  119  22.18 +/- 0.75   0.001% *  0.4010% (1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG13  ILE  119  22.98 +/- 0.31   0.000% *  0.3702% (0.92   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE  119  29.84 +/- 0.42   0.000% *  0.1000% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1523 (0.96, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.9, residual support = 253.3:
    * O T QG2   ILE  119 - HG13  ILE  119   2.67 +/- 0.14  99.679% * 99.0472% (1.00   5.90 253.31) = 100.000%  kept
          QD1   LEU   67 - HG13  ILE  119   7.16 +/- 0.44   0.283% *  0.0664% (0.20   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG13  ILE  119  14.70 +/- 0.81   0.004% *  0.3174% (0.95   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG13  ILE  119  11.06 +/- 0.32   0.021% *  0.0588% (0.18   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG13  ILE  119  15.16 +/- 0.49   0.003% *  0.2911% (0.87   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG13  ILE  119  12.97 +/- 0.45   0.008% *  0.0933% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  119  17.08 +/- 0.92   0.002% *  0.1259% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1524 (2.26, 1.12, 30.83 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.41, residual support = 253.3:
    * O T HG12  ILE  119 - HG13  ILE  119   1.75 +/- 0.00  99.994% * 97.9839% (1.00   5.41 253.31) = 100.000%  kept
          HB2   ASP- 105 - HG13  ILE  119   9.72 +/- 0.46   0.004% *  0.1118% (0.31   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG13  ILE  119  11.34 +/- 0.66   0.001% *  0.2344% (0.65   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG13  ILE  119  13.19 +/- 0.50   0.001% *  0.2769% (0.76   0.02   0.02) =   0.000%
          HG3   MET   92 - HG13  ILE  119  17.23 +/- 0.83   0.000% *  0.2489% (0.69   0.02   0.02) =   0.000%
          QG    GLN   90 - HG13  ILE  119  19.63 +/- 1.03   0.000% *  0.3026% (0.84   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG13  ILE  119  18.32 +/- 1.03   0.000% *  0.1906% (0.53   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG13  ILE  119  21.80 +/- 1.10   0.000% *  0.2489% (0.69   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG13  ILE  119  27.30 +/- 0.46   0.000% *  0.2901% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG13  ILE  119  21.30 +/- 0.74   0.000% *  0.0559% (0.15   0.02   0.02) =   0.000%
          QB    MET   11 - HG13  ILE  119  27.19 +/- 1.84   0.000% *  0.0559% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 5.15, residual support = 253.3:
    * O T QD1   ILE  119 - HG13  ILE  119   2.15 +/- 0.01  99.995% * 99.2578% (0.97   5.15 253.31) = 100.000%  kept
          QG2   VAL  108 - HG13  ILE  119  12.18 +/- 0.61   0.003% *  0.2261% (0.57   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG13  ILE  119  13.57 +/- 0.34   0.002% *  0.2900% (0.73   0.02   0.02) =   0.000%
          HB    VAL   75 - HG13  ILE  119  17.51 +/- 0.61   0.000% *  0.2261% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1527 (3.69, 1.02, 16.06 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.87, residual support = 253.3:
    *   T HA    ILE  119 - QD1   ILE  119   3.56 +/- 0.15  97.625% * 98.7371% (0.97   5.87 253.31) =  99.992%  kept
          HA    THR  118 - QD1   ILE  119   6.69 +/- 0.08   2.276% *  0.3246% (0.93   0.02  35.64) =   0.008%
          HA2   GLY  109 - QD1   ILE  119  11.77 +/- 0.28   0.079% *  0.2443% (0.70   0.02   0.02) =   0.000%
          HB2   TRP   49 - QD1   ILE  119  17.75 +/- 0.17   0.007% *  0.3334% (0.96   0.02   0.02) =   0.000%
          HA    ALA   84 - QD1   ILE  119  18.49 +/- 0.30   0.005% *  0.3017% (0.87   0.02   0.02) =   0.000%
        T HA    VAL   75 - QD1   ILE  119  17.00 +/- 0.28   0.008% *  0.0589% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1528 (2.03, 1.02, 16.06 ppm):
    12 chemical-shift based assignments, quality = 0.837, support = 5.44, residual support = 253.3:
    * O T HB    ILE  119 - QD1   ILE  119   2.52 +/- 0.19  99.894% * 97.2636% (0.84   5.44 253.31) = 100.000%  kept
          HB2   LYS+ 111 - QD1   ILE  119   8.90 +/- 0.40   0.056% *  0.2006% (0.47   0.02   0.02) =   0.000%
        T HB    VAL  108 - QD1   ILE  119  11.91 +/- 0.41   0.010% *  0.2666% (0.62   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QD1   ILE  119  11.87 +/- 0.30   0.010% *  0.2333% (0.55   0.02   0.02) =   0.000%
          HB2   PRO   93 - QD1   ILE  119  10.60 +/- 0.25   0.020% *  0.1146% (0.27   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE  119  13.40 +/- 0.56   0.005% *  0.3300% (0.77   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD1   ILE  119  15.23 +/- 0.52   0.002% *  0.1694% (0.40   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD1   ILE  119  16.06 +/- 0.61   0.002% *  0.1694% (0.40   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD1   ILE  119  19.42 +/- 0.57   0.001% *  0.3574% (0.84   0.02   0.02) =   0.000%
          HG3   GLN   30 - QD1   ILE  119  19.83 +/- 0.57   0.000% *  0.4121% (0.97   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD1   ILE  119  21.08 +/- 0.29   0.000% *  0.3804% (0.89   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE  119  26.09 +/- 0.36   0.000% *  0.1027% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1529 (0.96, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.75, residual support = 253.3:
    *   T QG2   ILE  119 - QD1   ILE  119   1.83 +/- 0.11  99.968% * 99.0216% (0.97   5.75 253.31) = 100.000%  kept
          QD1   LEU   67 - QD1   ILE  119   7.41 +/- 0.39   0.027% *  0.0682% (0.19   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD1   ILE  119  13.59 +/- 0.67   0.001% *  0.3259% (0.91   0.02   0.02) =   0.000%
          QD2   LEU   71 - QD1   ILE  119  13.74 +/- 0.42   0.001% *  0.2989% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD1   ILE  119  10.81 +/- 0.26   0.003% *  0.0603% (0.17   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   ILE  119  12.20 +/- 0.25   0.001% *  0.0958% (0.27   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   ILE  119  14.78 +/- 0.79   0.000% *  0.1293% (0.36   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1530 (2.26, 1.02, 16.06 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.32, residual support = 253.3:
    * O T HG12  ILE  119 - QD1   ILE  119   2.15 +/- 0.01  99.974% * 97.9496% (0.97   5.32 253.31) = 100.000%  kept
          HB2   ASP-  44 - QD1   ILE  119  10.32 +/- 0.59   0.009% *  0.2384% (0.62   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QD1   ILE  119   9.82 +/- 0.18   0.011% *  0.1137% (0.30   0.02   0.02) =   0.000%
          HB3   PHE   72 - QD1   ILE  119  12.13 +/- 0.48   0.003% *  0.2816% (0.74   0.02   0.02) =   0.000%
          HG3   MET   92 - QD1   ILE  119  14.13 +/- 0.65   0.001% *  0.2531% (0.66   0.02   0.02) =   0.000%
          QG    GLN   90 - QD1   ILE  119  16.86 +/- 0.82   0.000% *  0.3078% (0.81   0.02   0.02) =   0.000%
          QG    GLU-  15 - QD1   ILE  119  16.34 +/- 0.91   0.001% *  0.1939% (0.51   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD1   ILE  119  19.05 +/- 1.02   0.000% *  0.2531% (0.66   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QD1   ILE  119  18.19 +/- 0.54   0.000% *  0.0569% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD1   ILE  119  24.17 +/- 0.45   0.000% *  0.2951% (0.77   0.02   0.02) =   0.000%
          QB    MET   11 - QD1   ILE  119  23.52 +/- 1.69   0.000% *  0.0569% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1531 (1.12, 1.02, 16.06 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 5.15, residual support = 253.3:
    * O T HG13  ILE  119 - QD1   ILE  119   2.15 +/- 0.01  98.356% * 98.7578% (0.97   5.15 253.31) =  99.997%  kept
          HD3   LYS+ 112 - QD1   ILE  119   4.68 +/- 0.57   1.300% *  0.2018% (0.51   0.02   0.02) =   0.003%
          QG1   VAL  107 - QD1   ILE  119   6.07 +/- 0.20   0.201% *  0.0592% (0.15   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   ILE  119   6.55 +/- 0.19   0.126% *  0.0592% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   ILE  119   9.35 +/- 0.12   0.015% *  0.1184% (0.30   0.02   1.18) =   0.000%
          QB    ALA   20 - QD1   ILE  119  15.44 +/- 0.44   0.001% *  0.2634% (0.66   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD1   ILE  119  20.49 +/- 0.53   0.000% *  0.3826% (0.96   0.02   0.02) =   0.000%
          QG1   VAL   24 - QD1   ILE  119  20.42 +/- 0.78   0.000% *  0.1577% (0.40   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1532 (1.02, 1.02, 16.06 ppm):
    1 diagonal assignment:
    *     QD1   ILE  119 - QD1   ILE  119  (0.93)  kept
 
    Peak 1533 (3.95, 3.95, 55.35 ppm):
    1 diagonal assignment:
    *     HA    ALA  120 - HA    ALA  120  (1.00)  kept
 
    Peak 1534 (1.48, 3.95, 55.35 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.38, residual support = 12.4:
    * O T QB    ALA  120 - HA    ALA  120   2.11 +/- 0.01  99.925% * 96.2490% (0.95   2.38  12.36) = 100.000%  kept
          HG    LEU  115 - HA    ALA  120   9.78 +/- 0.65   0.011% *  0.8100% (0.95   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    ALA  120   7.66 +/- 0.51   0.048% *  0.1321% (0.15   0.02   2.55) =   0.000%
          HG    LEU   67 - HA    ALA  120  10.87 +/- 0.95   0.006% *  0.4505% (0.53   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA  120  10.58 +/- 0.32   0.006% *  0.3520% (0.41   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    ALA  120  15.27 +/- 0.46   0.001% *  0.8544% (1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA  120  14.78 +/- 0.40   0.001% *  0.3520% (0.41   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    ALA  120  15.40 +/- 1.28   0.001% *  0.1695% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ALA  120  22.16 +/- 0.64   0.000% *  0.4168% (0.49   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ALA  120  23.96 +/- 0.56   0.000% *  0.2135% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1535 (3.95, 1.48, 18.41 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.38, residual support = 12.4:
    * O T HA    ALA  120 - QB    ALA  120   2.11 +/- 0.01  96.631% * 95.0003% (0.95   2.38  12.36) =  99.980%  kept
          HA    LYS+ 121 - QB    ALA  120   3.85 +/- 0.04   2.669% *  0.6110% (0.72   0.02   2.55) =   0.018%
          QB    SER  117 - QB    ALA  120   4.81 +/- 0.06   0.698% *  0.3287% (0.39   0.02   5.30) =   0.002%
          HA    LYS+  65 - QB    ALA  120  14.24 +/- 0.46   0.001% *  0.6110% (0.72   0.02   0.02) =   0.000%
          HB    THR   94 - QB    ALA  120  16.52 +/- 0.33   0.000% *  0.6678% (0.79   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA  120  18.56 +/- 0.59   0.000% *  0.6678% (0.79   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    ALA  120  21.12 +/- 0.17   0.000% *  0.5492% (0.65   0.02   0.02) =   0.000%
          QB    SER   48 - QB    ALA  120  22.57 +/- 0.31   0.000% *  0.7381% (0.87   0.02   0.02) =   0.000%
          QB    SER   85 - QB    ALA  120  23.18 +/- 0.32   0.000% *  0.6678% (0.79   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA  120  19.61 +/- 0.21   0.000% *  0.1582% (0.19   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 0.973, support = 8.11, residual support = 303.7:
    * O T HB2   LYS+ 121 - HA    LYS+ 121   2.88 +/- 0.09  54.880% * 95.3229% (1.00   8.33 312.15) =  97.283%  kept
        T QD    LYS+  65 - HA    LYS+  65   3.05 +/- 0.43  42.903% *  3.4019% (0.06   4.75 161.19) =   2.714%
        T HB2   LEU  123 - HA    LYS+ 121   4.92 +/- 0.06   2.175% *  0.0706% (0.31   0.02   2.34) =   0.003%
        T QD    LYS+  65 - HA    LYS+ 121  15.98 +/- 0.67   0.002% *  0.2283% (1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 121  15.52 +/- 1.45   0.003% *  0.1204% (0.53   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  18.75 +/- 0.70   0.001% *  0.2052% (0.90   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  17.00 +/- 0.15   0.001% *  0.0706% (0.31   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  17.09 +/- 0.53   0.001% *  0.0636% (0.28   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  11.05 +/- 0.16   0.017% *  0.0044% (0.02   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  13.41 +/- 1.82   0.007% *  0.0087% (0.04   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HA    LYS+  65  14.67 +/- 0.79   0.003% *  0.0144% (0.06   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  21.93 +/- 1.22   0.000% *  0.1388% (0.61   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  19.88 +/- 0.33   0.001% *  0.0780% (0.34   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  26.43 +/- 0.84   0.000% *  0.2243% (0.98   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  14.77 +/- 0.71   0.003% *  0.0044% (0.02   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  19.46 +/- 0.72   0.001% *  0.0129% (0.06   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  18.03 +/- 0.51   0.001% *  0.0049% (0.02   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  23.37 +/- 0.65   0.000% *  0.0141% (0.06   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  22.30 +/- 0.89   0.000% *  0.0076% (0.03   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  24.21 +/- 0.45   0.000% *  0.0040% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 7.29, residual support = 312.2:
    * O T HG2   LYS+ 121 - HA    LYS+ 121   2.19 +/- 0.26  99.940% * 99.1736% (1.00   7.29 312.15) = 100.000%  kept
          HG13  ILE  119 - HA    LYS+ 121   8.46 +/- 0.15   0.039% *  0.0840% (0.31   0.02   1.18) =   0.000%
          QG2   VAL  107 - HA    LYS+ 121  11.07 +/- 0.22   0.008% *  0.2513% (0.92   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+ 121  15.28 +/- 0.51   0.001% *  0.1325% (0.49   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+  65  12.47 +/- 0.24   0.004% *  0.0137% (0.05   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+ 121  21.89 +/- 0.44   0.000% *  0.2180% (0.80   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+  65  11.93 +/- 0.64   0.005% *  0.0053% (0.02   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LYS+  65  14.53 +/- 0.23   0.001% *  0.0158% (0.06   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HA    LYS+  65  17.00 +/- 0.55   0.001% *  0.0171% (0.06   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+ 121  22.32 +/- 0.67   0.000% *  0.0757% (0.28   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+  65  20.22 +/- 0.53   0.000% *  0.0083% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+  65  20.47 +/- 0.75   0.000% *  0.0048% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1540 (0.80, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.7, residual support = 312.2:
    * O T HG3   LYS+ 121 - HA    LYS+ 121   2.96 +/- 0.44  99.139% * 99.4588% (1.00   6.70 312.15) =  99.999%  kept
          QD2   LEU  123 - HA    LYS+ 121   7.04 +/- 0.06   0.712% *  0.1444% (0.49   0.02   2.34) =   0.001%
          QD1   ILE   56 - HA    LYS+ 121  13.07 +/- 0.17   0.018% *  0.1800% (0.61   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HA    LYS+ 121  16.30 +/- 0.45   0.005% *  0.1012% (0.34   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HA    LYS+  65  10.39 +/- 0.23   0.070% *  0.0064% (0.02   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+  65  11.56 +/- 0.70   0.037% *  0.0091% (0.03   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+  65  13.88 +/- 0.21   0.012% *  0.0113% (0.04   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LYS+  65  16.29 +/- 0.68   0.004% *  0.0186% (0.06   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 121  23.18 +/- 0.93   0.001% *  0.0661% (0.22   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+  65  19.94 +/- 0.98   0.002% *  0.0041% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 0.526, support = 7.62, residual support = 301.8:
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.82 +/- 0.09  47.432% * 25.1883% (0.31   8.19 312.15) =  59.373%  kept
    *   T HD2   LYS+ 121 - HA    LYS+ 121   3.80 +/- 0.55   9.634% * 70.6001% (1.00   7.08 312.15) =  33.801%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.99 +/- 0.74  42.000% *  3.2702% (0.06   5.27 161.19) =   6.826%  kept
        T QD    LYS+  66 - HA    LYS+  65   5.86 +/- 0.50   0.860% *  0.0100% (0.05   0.02  26.31) =   0.000%
        T QD    LYS+  66 - HA    LYS+ 121  10.04 +/- 0.72   0.029% *  0.1596% (0.80   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  11.94 +/- 0.33   0.009% *  0.0615% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  12.16 +/- 0.56   0.008% *  0.0349% (0.18   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  16.99 +/- 1.03   0.001% *  0.1975% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  15.13 +/- 0.32   0.002% *  0.0444% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  12.38 +/- 0.26   0.007% *  0.0096% (0.05   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.64 +/- 0.54   0.000% *  0.1924% (0.97   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.86 +/- 0.62   0.000% *  0.1523% (0.76   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.54 +/- 0.60   0.002% *  0.0121% (0.06   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  16.37 +/- 1.17   0.001% *  0.0125% (0.06   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  12.79 +/- 0.88   0.007% *  0.0022% (0.01   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  14.93 +/- 0.68   0.003% *  0.0039% (0.02   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  13.69 +/- 1.00   0.004% *  0.0025% (0.01   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  22.27 +/- 0.84   0.000% *  0.0394% (0.20   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.08 +/- 0.67   0.001% *  0.0039% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.73 +/- 0.39   0.000% *  0.0028% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 0.991, support = 6.68, residual support = 298.5:
    *     QE    LYS+ 121 - HA    LYS+ 121   3.73 +/- 0.56  92.565% * 58.3780% (1.00   6.73 312.15) =  94.837%  kept
          HB3   HIS  122 - HA    LYS+ 121   5.93 +/- 0.12   7.112% * 41.3643% (0.84   5.71  48.17) =   5.163%  kept
          HB3   HIS  122 - HA    LYS+  65  10.19 +/- 0.56   0.285% *  0.0091% (0.05   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    LYS+  65  15.76 +/- 1.13   0.021% *  0.0109% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+ 121  25.04 +/- 0.52   0.001% *  0.1191% (0.69   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+  65  17.41 +/- 0.45   0.011% *  0.0075% (0.04   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+ 121  28.28 +/- 0.63   0.001% *  0.0778% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+ 121  29.79 +/- 0.66   0.000% *  0.0268% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+  65  24.36 +/- 0.44   0.001% *  0.0049% (0.03   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  65  23.69 +/- 0.73   0.002% *  0.0017% (0.01   0.02   0.02) =   0.000%
    Distance limit 5.35 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 = 1.0, support = 8.33, residual support = 312.1:
    * O T HA    LYS+ 121 - HB2   LYS+ 121   2.88 +/- 0.09  97.720% * 98.5874% (1.00   8.33 312.15) =  99.996%  kept
          HA    ALA  120 - HB2   LYS+ 121   5.89 +/- 0.29   1.347% *  0.1809% (0.76   0.02   2.55) =   0.003%
          QB    SER  117 - HB2   LYS+ 121   6.54 +/- 0.77   0.891% *  0.1977% (0.84   0.02   0.02) =   0.002%
          HA    PHE   60 - HB2   LYS+ 121  11.16 +/- 0.43   0.031% *  0.0658% (0.28   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LYS+ 121  16.15 +/- 0.43   0.003% *  0.2346% (0.99   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   LYS+ 121  14.67 +/- 0.79   0.006% *  0.0807% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LYS+ 121  18.98 +/- 1.23   0.001% *  0.0973% (0.41   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LYS+ 121  24.39 +/- 0.26   0.000% *  0.2346% (0.99   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LYS+ 121  24.58 +/- 0.42   0.000% *  0.2239% (0.95   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LYS+ 121  23.86 +/- 0.41   0.000% *  0.0973% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1544 (1.66, 1.66, 32.89 ppm):
    1 diagonal assignment:
    *     HB2   LYS+ 121 - HB2   LYS+ 121  (1.00)  kept
 
    Peak 1545 (1.15, 1.66, 32.89 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 7.79, residual support = 312.2:
    * O T HG2   LYS+ 121 - HB2   LYS+ 121   2.90 +/- 0.16  99.366% * 99.2865% (1.00   7.79 312.15) =  99.999%  kept
          HG13  ILE  119 - HB2   LYS+ 121   7.06 +/- 0.22   0.508% *  0.0787% (0.31   0.02   1.18) =   0.000%
          QG2   VAL  107 - HB2   LYS+ 121   9.05 +/- 0.28   0.111% *  0.2354% (0.92   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB2   LYS+ 121  13.06 +/- 0.51   0.013% *  0.1241% (0.49   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LYS+ 121  19.99 +/- 0.60   0.001% *  0.2042% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   LYS+ 121  20.24 +/- 0.92   0.001% *  0.0709% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1546 (0.80, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 7.21, residual support = 312.2:
    * O T HG3   LYS+ 121 - HB2   LYS+ 121   2.77 +/- 0.21  99.789% * 99.5427% (1.00   7.21 312.15) = 100.000%  kept
        T QD2   LEU  123 - HB2   LYS+ 121   8.05 +/- 0.14   0.181% *  0.1343% (0.49   0.02   2.34) =   0.000%
          QD1   ILE   56 - HB2   LYS+ 121  11.39 +/- 0.33   0.024% *  0.1674% (0.61   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HB2   LYS+ 121  14.46 +/- 0.77   0.005% *  0.0941% (0.34   0.02   0.02) =   0.000%
          HG    LEU   31 - HB2   LYS+ 121  20.91 +/- 1.15   0.001% *  0.0614% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.552, support = 8.45, residual support = 312.2:
      O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  83.594% * 26.3215% (0.31   8.91 312.15) =  64.817%  kept
    * O T HD2   LYS+ 121 - HB2   LYS+ 121   2.51 +/- 0.55  16.399% * 72.8313% (1.00   7.61 312.15) =  35.183%  kept
        T QD    LYS+  66 - HB2   LYS+ 121   9.86 +/- 0.76   0.003% *  0.1533% (0.80   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121  10.53 +/- 0.60   0.002% *  0.0591% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB2   LYS+ 121  10.80 +/- 0.84   0.002% *  0.0335% (0.18   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  15.78 +/- 0.86   0.000% *  0.1898% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  13.07 +/- 0.43   0.000% *  0.0426% (0.22   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.47 +/- 0.77   0.000% *  0.1463% (0.76   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  20.74 +/- 0.69   0.000% *  0.1848% (0.97   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  19.80 +/- 0.90   0.000% *  0.0379% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.56 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 = 0.982, support = 7.05, residual support = 283.6:
    *     QE    LYS+ 121 - HB2   LYS+ 121   3.69 +/- 0.51  85.302% * 58.5170% (1.00   7.17 312.15) =  89.166%  kept
          HB3   HIS  122 - HB2   LYS+ 121   5.30 +/- 0.67  14.695% * 41.2725% (0.84   6.05  48.17) =  10.834%  kept
          HG2   GLN   30 - HB2   LYS+ 121  22.94 +/- 0.82   0.002% *  0.1121% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 121  26.07 +/- 0.89   0.001% *  0.0732% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+ 121  27.12 +/- 0.73   0.001% *  0.0252% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1549 (3.94, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.29, residual support = 312.2:
    * O T HA    LYS+ 121 - HG2   LYS+ 121   2.19 +/- 0.26  99.645% * 98.3880% (1.00   7.29 312.15) =  99.999%  kept
          QB    SER  117 - HG2   LYS+ 121   6.78 +/- 0.53   0.208% *  0.2256% (0.84   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   LYS+ 121   6.69 +/- 0.12   0.144% *  0.2064% (0.76   0.02   2.55) =   0.000%
          HA    PHE   60 - HG2   LYS+ 121  13.83 +/- 0.34   0.002% *  0.0751% (0.28   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+ 121  17.98 +/- 0.47   0.000% *  0.2677% (0.99   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG2   LYS+ 121  17.00 +/- 0.55   0.001% *  0.0921% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   LYS+ 121  21.02 +/- 0.92   0.000% *  0.1110% (0.41   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+ 121  26.78 +/- 0.34   0.000% *  0.2677% (0.99   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+ 121  26.58 +/- 0.45   0.000% *  0.2555% (0.95   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+ 121  25.12 +/- 0.49   0.000% *  0.1110% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1550 (1.66, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.79, residual support = 312.2:
    * O T HB2   LYS+ 121 - HG2   LYS+ 121   2.90 +/- 0.16  99.469% * 98.6708% (1.00   7.79 312.15) = 100.000%  kept
          HB2   LEU  123 - HG2   LYS+ 121   7.03 +/- 0.22   0.508% *  0.0782% (0.31   0.02   2.34) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 121  13.86 +/- 1.43   0.011% *  0.1334% (0.53   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG2   LYS+ 121  17.19 +/- 0.64   0.002% *  0.2529% (1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG2   LYS+ 121  18.17 +/- 0.85   0.002% *  0.2273% (0.90   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG2   LYS+ 121  16.29 +/- 0.79   0.004% *  0.0705% (0.28   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+ 121  17.53 +/- 0.22   0.002% *  0.0782% (0.31   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 121  19.75 +/- 0.48   0.001% *  0.0865% (0.34   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG2   LYS+ 121  21.96 +/- 1.15   0.001% *  0.1537% (0.61   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 121  25.45 +/- 0.87   0.000% *  0.2485% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 312.2:
    * O T HG3   LYS+ 121 - HG2   LYS+ 121   1.75 +/- 0.00  99.993% * 99.4778% (1.00   6.31 312.15) = 100.000%  kept
          QD2   LEU  123 - HG2   LYS+ 121   8.78 +/- 0.15   0.006% *  0.1534% (0.49   0.02   2.34) =   0.000%
          QD1   ILE   56 - HG2   LYS+ 121  13.18 +/- 0.22   0.001% *  0.1911% (0.61   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HG2   LYS+ 121  16.13 +/- 0.54   0.000% *  0.1075% (0.34   0.02   0.02) =   0.000%
        T HG    LEU   31 - HG2   LYS+ 121  22.31 +/- 0.92   0.000% *  0.0702% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 0.836, support = 6.85, residual support = 312.2:
    * O T HD2   LYS+ 121 - HG2   LYS+ 121   2.66 +/- 0.20  53.554% * 72.8538% (1.00   6.59 312.15) =  76.261%  kept
      O T HB3   LYS+ 121 - HG2   LYS+ 121   2.73 +/- 0.25  46.412% * 26.1684% (0.31   7.67 312.15) =  23.739%  kept
        T QD    LYS+  66 - HG2   LYS+ 121  11.60 +/- 0.75   0.009% *  0.1769% (0.80   0.02   0.02) =   0.000%
          HG    LEU  104 - HG2   LYS+ 121  10.59 +/- 0.43   0.014% *  0.0682% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+ 121  11.84 +/- 0.69   0.008% *  0.0387% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+ 121  18.24 +/- 0.93   0.001% *  0.2190% (0.99   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG2   LYS+ 121  14.44 +/- 0.59   0.002% *  0.0492% (0.22   0.02   0.02) =   0.000%
          QG2   THR   26 - HG2   LYS+ 121  22.37 +/- 0.58   0.000% *  0.2132% (0.97   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   LYS+ 121  21.93 +/- 0.67   0.000% *  0.1688% (0.76   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG2   LYS+ 121  22.36 +/- 0.84   0.000% *  0.0437% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1554 (2.75, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 312.2:
    * O   QE    LYS+ 121 - HG2   LYS+ 121   2.40 +/- 0.47  99.817% * 99.3314% (1.00   6.31 312.15) = 100.000%  kept
          HB3   HIS  122 - HG2   LYS+ 121   7.44 +/- 0.34   0.183% *  0.2628% (0.84   0.02  48.17) =   0.000%
          HG2   GLN   30 - HG2   LYS+ 121  24.70 +/- 0.59   0.000% *  0.2161% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG2   LYS+ 121  27.35 +/- 0.69   0.000% *  0.1411% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+ 121  29.38 +/- 0.69   0.000% *  0.0485% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1555 (3.94, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.7, residual support = 312.1:
    * O T HA    LYS+ 121 - HG3   LYS+ 121   2.96 +/- 0.44  98.046% * 97.5704% (1.00   6.70 312.15) =  99.996%  kept
          QB    SER  117 - HG3   LYS+ 121   7.30 +/- 0.90   1.101% *  0.2432% (0.84   0.02   0.02) =   0.003%
          HA    ALA  120 - HG3   LYS+ 121   7.41 +/- 0.24   0.473% *  0.2225% (0.76   0.02   2.55) =   0.001%
          HA2   GLY   16 - QD2   LEU   73   9.67 +/- 0.57   0.105% *  0.0408% (0.14   0.02   0.02) =   0.000%
          HB    THR   94 - QD2   LEU   73  11.67 +/- 0.61   0.041% *  0.0984% (0.34   0.02   0.02) =   0.000%
          HA    PHE   60 - QD2   LEU   73   9.85 +/- 0.38   0.100% *  0.0276% (0.09   0.02   0.21) =   0.000%
        T HA    LYS+  65 - QD2   LEU   73  10.39 +/- 0.23   0.068% *  0.0339% (0.12   0.02   0.02) =   0.000%
          HA    PHE   60 - HG3   LYS+ 121  13.15 +/- 0.48   0.019% *  0.0809% (0.28   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 121  17.19 +/- 0.99   0.004% *  0.2885% (0.99   0.02   0.02) =   0.000%
          QB    SER   48 - QD2   LEU   73  14.88 +/- 0.45   0.009% *  0.0939% (0.32   0.02   0.02) =   0.000%
          QB    SER   85 - QD2   LEU   73  14.02 +/- 0.46   0.012% *  0.0408% (0.14   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD2   LEU   73  16.30 +/- 0.45   0.005% *  0.0993% (0.34   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 121  16.29 +/- 0.68   0.004% *  0.0993% (0.34   0.02   0.02) =   0.000%
          QB    SER  117 - QD2   LEU   73  16.42 +/- 0.44   0.005% *  0.0829% (0.28   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD2   LEU   73  18.39 +/- 0.50   0.002% *  0.0984% (0.34   0.02   0.02) =   0.000%
          HA    ALA  120 - QD2   LEU   73  17.66 +/- 0.42   0.003% *  0.0759% (0.26   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 121  20.11 +/- 1.04   0.001% *  0.1197% (0.41   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 121  25.90 +/- 0.79   0.000% *  0.2754% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG3   LYS+ 121  26.36 +/- 0.64   0.000% *  0.2885% (0.99   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 121  24.26 +/- 0.84   0.000% *  0.1197% (0.41   0.02   0.02) =   0.000%
    Distance limit 5.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1556 (1.66, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 7.21, residual support = 312.2:
    * O T HB2   LYS+ 121 - HG3   LYS+ 121   2.77 +/- 0.21  99.269% * 97.9969% (1.00   7.21 312.15) =  99.999%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   7.73 +/- 0.41   0.245% *  0.0839% (0.31   0.02   2.34) =   0.000%
          HD2   LYS+  74 - QD2   LEU   73   7.36 +/- 0.54   0.335% *  0.0562% (0.21   0.02  45.28) =   0.000%
          HB    VAL   83 - QD2   LEU   73  10.44 +/- 0.60   0.040% *  0.0908% (0.33   0.02   0.02) =   0.000%
          QD    LYS+  65 - QD2   LEU   73  10.99 +/- 0.61   0.028% *  0.0924% (0.34   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  13.08 +/- 1.55   0.013% *  0.1429% (0.53   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU   73  11.92 +/- 0.60   0.018% *  0.0831% (0.31   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG3   LYS+ 121  16.68 +/- 0.73   0.002% *  0.2711% (1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD2   LEU   73  11.72 +/- 0.42   0.020% *  0.0286% (0.11   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 121  17.19 +/- 0.85   0.002% *  0.2436% (0.90   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - QD2   LEU   73  14.46 +/- 0.77   0.005% *  0.0926% (0.34   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  13.60 +/- 0.61   0.008% *  0.0487% (0.18   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+ 121  16.41 +/- 1.12   0.003% *  0.0755% (0.28   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  14.46 +/- 0.56   0.006% *  0.0316% (0.12   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 121  17.14 +/- 0.37   0.002% *  0.0839% (0.31   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 121  20.97 +/- 1.26   0.001% *  0.1648% (0.61   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  19.27 +/- 0.78   0.001% *  0.0927% (0.34   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 121  24.31 +/- 1.14   0.000% *  0.2663% (0.98   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  18.01 +/- 0.49   0.001% *  0.0286% (0.11   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU   73  20.04 +/- 0.59   0.001% *  0.0258% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1557 (1.15, 0.80, 24.39 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 312.2:
    * O T HG2   LYS+ 121 - HG3   LYS+ 121   1.75 +/- 0.00  99.913% * 98.7203% (1.00   6.31 312.15) = 100.000%  kept
          QB    ALA   20 - QD2   LEU   73   6.17 +/- 0.23   0.054% *  0.0854% (0.27   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG3   LYS+ 121  10.20 +/- 0.78   0.003% *  0.2887% (0.92   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QD2   LEU   73   7.41 +/- 0.64   0.021% *  0.0296% (0.09   0.02   1.38) =   0.000%
          HG13  ILE  119 - HG3   LYS+ 121   9.33 +/- 0.37   0.005% *  0.0965% (0.31   0.02   1.18) =   0.000%
          QG2   VAL  107 - QD2   LEU   73  11.47 +/- 0.48   0.001% *  0.0984% (0.31   0.02   0.02) =   0.000%
          HG13  ILE  103 - HG3   LYS+ 121  12.63 +/- 0.85   0.001% *  0.1522% (0.49   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD2   LEU   73  11.01 +/- 0.57   0.002% *  0.0519% (0.17   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - QD2   LEU   73  16.13 +/- 0.54   0.000% *  0.1066% (0.34   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   73  14.37 +/- 0.38   0.000% *  0.0329% (0.11   0.02   0.02) =   0.000%
          QB    ALA   20 - HG3   LYS+ 121  21.08 +/- 0.58   0.000% *  0.2504% (0.80   0.02   0.02) =   0.000%
        T HB3   LEU   31 - HG3   LYS+ 121  20.04 +/- 0.81   0.000% *  0.0869% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.683, support = 6.56, residual support = 312.1:
    * O T HD2   LYS+ 121 - HG3   LYS+ 121   2.94 +/- 0.11  28.672% * 72.9764% (1.00   6.18 312.15) =  54.112%  kept
      O T HB3   LYS+ 121 - HG3   LYS+ 121   2.51 +/- 0.29  69.531% * 25.5170% (0.31   7.00 312.15) =  45.884%  kept
          QG2   THR   26 - QD2   LEU   73   5.23 +/- 0.47   0.994% *  0.0777% (0.33   0.02   0.02) =   0.002%
          HB2   LYS+  74 - QD2   LEU   73   5.58 +/- 0.11   0.599% *  0.0615% (0.26   0.02  45.28) =   0.001%
        T QD    LYS+  66 - HG3   LYS+ 121  11.36 +/- 0.91   0.011% *  0.1891% (0.80   0.02   0.02) =   0.000%
          HG    LEU  104 - HG3   LYS+ 121   9.43 +/- 0.54   0.027% *  0.0729% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD2   LEU   73   8.27 +/- 0.75   0.073% *  0.0141% (0.06   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD2   LEU   73   8.47 +/- 0.33   0.049% *  0.0159% (0.07   0.02  45.28) =   0.000%
          HG2   LYS+  65 - QD2   LEU   73  11.41 +/- 0.69   0.009% *  0.0798% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 121  10.61 +/- 0.81   0.014% *  0.0414% (0.18   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD2   LEU   73  12.64 +/- 0.45   0.005% *  0.0645% (0.27   0.02   0.02) =   0.000%
          HG    LEU  104 - QD2   LEU   73  11.28 +/- 0.58   0.009% *  0.0249% (0.11   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 121  17.63 +/- 0.97   0.001% *  0.2340% (0.99   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD2   LEU   73  14.92 +/- 0.95   0.002% *  0.0805% (0.34   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+ 121  14.32 +/- 1.01   0.002% *  0.0526% (0.22   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD2   LEU   73  14.70 +/- 0.65   0.002% *  0.0249% (0.11   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 121  21.32 +/- 0.66   0.000% *  0.2279% (0.97   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG3   LYS+ 121  20.86 +/- 0.78   0.000% *  0.1804% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU   73  16.99 +/- 0.56   0.001% *  0.0179% (0.08   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG3   LYS+ 121  21.43 +/- 1.01   0.000% *  0.0467% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1560 (2.75, 0.80, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 312.1:
    * O   QE    LYS+ 121 - HG3   LYS+ 121   2.66 +/- 0.33  96.089% * 98.9477% (1.00   6.00 312.15) =  99.996%  kept
          HG2   GLN   30 - QD2   LEU   73   4.84 +/- 0.41   3.528% *  0.0773% (0.23   0.02   4.49) =   0.003%
          HB3   HIS  122 - HG3   LYS+ 121   7.20 +/- 0.36   0.321% *  0.2755% (0.84   0.02  48.17) =   0.001%
          HB3   ASN   28 - QD2   LEU   73   9.92 +/- 0.30   0.043% *  0.0504% (0.15   0.02   0.12) =   0.000%
          HB3   HIS  122 - QD2   LEU   73  13.57 +/- 0.78   0.008% *  0.0939% (0.28   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD2   LEU   73  13.97 +/- 1.03   0.006% *  0.1125% (0.34   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD2   LEU   73  14.53 +/- 0.59   0.005% *  0.0174% (0.05   0.02   0.02) =   0.000%
          HG2   GLN   30 - HG3   LYS+ 121  23.40 +/- 0.68   0.000% *  0.2266% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG3   LYS+ 121  26.05 +/- 0.79   0.000% *  0.1479% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 121  28.49 +/- 1.06   0.000% *  0.0509% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 1.0, support = 7.08, residual support = 312.1:
    *   T HA    LYS+ 121 - HD2   LYS+ 121   3.80 +/- 0.55  78.176% * 97.8122% (1.00   7.08 312.15) =  99.968%  kept
          QB    SER  117 - HD2   LYS+ 121   6.76 +/- 1.52   8.483% *  0.2306% (0.84   0.02   0.02) =   0.026%
        T HA    ALA  120 - HD2   LYS+ 121   7.66 +/- 0.51   1.279% *  0.2110% (0.76   0.02   2.55) =   0.004%
        T HA    LYS+  65 - QD    LYS+  66   5.86 +/- 0.50   8.532% *  0.0117% (0.04   0.02  26.31) =   0.001%
          HA    ALA  120 - QD    LYS+  66   8.27 +/- 0.61   1.063% *  0.0262% (0.10   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+  66  10.04 +/- 0.72   0.334% *  0.0343% (0.12   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+  74  10.49 +/- 0.81   0.231% *  0.0407% (0.15   0.02   0.02) =   0.000%
          HA    PHE   60 - QD    LYS+  66   9.01 +/- 0.94   0.725% *  0.0095% (0.03   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+  74  11.03 +/- 0.61   0.157% *  0.0427% (0.15   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+  74   9.53 +/- 0.93   0.451% *  0.0120% (0.04   0.02   0.02) =   0.000%
          HA    PHE   60 - HD2   LYS+ 121  12.77 +/- 0.68   0.067% *  0.0768% (0.28   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 121  16.46 +/- 0.88   0.016% *  0.2737% (0.99   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+  74  12.48 +/- 0.42   0.074% *  0.0427% (0.15   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  66  10.52 +/- 0.65   0.208% *  0.0141% (0.05   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  66  12.72 +/- 0.65   0.073% *  0.0287% (0.10   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD2   LYS+ 121  16.37 +/- 1.17   0.014% *  0.0942% (0.34   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+  74  13.69 +/- 1.00   0.047% *  0.0147% (0.05   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 121  20.26 +/- 1.53   0.004% *  0.1135% (0.41   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+  74  15.57 +/- 0.80   0.021% *  0.0177% (0.06   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+  74  15.70 +/- 0.98   0.020% *  0.0177% (0.06   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 121  25.28 +/- 0.78   0.001% *  0.2612% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 121  25.70 +/- 0.95   0.001% *  0.2737% (0.99   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  66  18.48 +/- 0.94   0.007% *  0.0340% (0.12   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 121  23.66 +/- 0.73   0.002% *  0.1135% (0.41   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+  74  19.41 +/- 0.57   0.005% *  0.0360% (0.13   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  66  20.93 +/- 1.08   0.004% *  0.0340% (0.12   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+  74  22.27 +/- 0.84   0.002% *  0.0431% (0.16   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+  74  22.04 +/- 0.88   0.002% *  0.0329% (0.12   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  66  22.50 +/- 0.94   0.002% *  0.0325% (0.12   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  66  25.00 +/- 0.80   0.001% *  0.0141% (0.05   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 = 0.842, support = 6.86, residual support = 288.4:
    * O T HB2   LYS+ 121 - HD2   LYS+ 121   2.51 +/- 0.55  16.399% * 94.3743% (1.00   7.61 312.15) =  82.567%  kept
      O   HD2   LYS+  74 - HD3   LYS+  74   1.75 +/- 0.00  83.481% *  3.9140% (0.09   3.34 176.04) =  17.432%  kept
        T QD    LYS+  65 - QD    LYS+  66   6.04 +/- 0.80   0.074% *  0.0308% (0.12   0.02  26.31) =   0.000%
          HB2   LEU  123 - HD2   LYS+ 121   8.22 +/- 0.65   0.009% *  0.0766% (0.31   0.02   2.34) =   0.000%
          QB    ALA   57 - HD3   LYS+  74   7.43 +/- 0.55   0.016% *  0.0119% (0.05   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD    LYS+  66   7.92 +/- 0.69   0.012% *  0.0095% (0.04   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - QD    LYS+  66   9.86 +/- 0.76   0.003% *  0.0308% (0.12   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD2   LYS+ 121  12.98 +/- 1.41   0.001% *  0.1305% (0.53   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD3   LYS+  74  12.51 +/- 1.25   0.001% *  0.0386% (0.16   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+  74  10.21 +/- 0.55   0.002% *  0.0132% (0.05   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD2   LYS+ 121  16.68 +/- 1.03   0.000% *  0.2475% (1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   LYS+ 121  17.49 +/- 1.42   0.000% *  0.2225% (0.90   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+  74  13.17 +/- 0.87   0.001% *  0.0379% (0.15   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD2   LYS+ 121  15.62 +/- 1.59   0.000% *  0.0690% (0.28   0.02   0.02) =   0.000%
          QB    ALA   57 - QD    LYS+  66  11.31 +/- 0.92   0.001% *  0.0095% (0.04   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   LYS+ 121  16.76 +/- 0.62   0.000% *  0.0766% (0.31   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   LYS+ 121  18.57 +/- 0.99   0.000% *  0.0846% (0.34   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HD2   LYS+ 121  20.50 +/- 1.09   0.000% *  0.1505% (0.61   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD    LYS+  66  16.03 +/- 2.00   0.000% *  0.0187% (0.08   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   LYS+ 121  23.77 +/- 0.94   0.000% *  0.2432% (0.98   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QD    LYS+  66  18.42 +/- 0.54   0.000% *  0.0277% (0.11   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HD3   LYS+  74  19.80 +/- 0.90   0.000% *  0.0387% (0.16   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD    LYS+  66  17.03 +/- 1.09   0.000% *  0.0105% (0.04   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QD    LYS+  66  19.63 +/- 0.92   0.000% *  0.0162% (0.07   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD3   LYS+  74  23.18 +/- 0.59   0.000% *  0.0347% (0.14   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD3   LYS+  74  22.16 +/- 1.15   0.000% *  0.0204% (0.08   0.02   0.02) =   0.000%
          HB    VAL   83 - QD    LYS+  66  24.08 +/- 0.82   0.000% *  0.0302% (0.12   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QD    LYS+  66  19.85 +/- 1.11   0.000% *  0.0086% (0.03   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+  74  20.61 +/- 0.55   0.000% *  0.0108% (0.04   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD3   LYS+  74  23.15 +/- 0.98   0.000% *  0.0119% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1563 (1.15, 1.50, 29.95 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 6.59, residual support = 312.2:
    * O T HG2   LYS+ 121 - HD2   LYS+ 121   2.66 +/- 0.20  98.528% * 98.8424% (1.00   6.59 312.15) =  99.999%  kept
          QB    ALA   20 - HD3   LYS+  74   5.94 +/- 0.25   0.886% *  0.0374% (0.12   0.02   8.15) =   0.000%
          QG2   VAL  107 - HD2   LYS+ 121   9.57 +/- 0.92   0.059% *  0.2767% (0.92   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD2   LYS+ 121   9.07 +/- 0.70   0.082% *  0.0925% (0.31   0.02   1.18) =   0.000%
          HG13  ILE  119 - QD    LYS+  66   7.72 +/- 1.17   0.378% *  0.0115% (0.04   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   LYS+ 121  12.19 +/- 0.71   0.012% *  0.1459% (0.49   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - QD    LYS+  66  11.60 +/- 0.75   0.018% *  0.0373% (0.12   0.02   0.02) =   0.000%
          QG2   VAL  107 - HD3   LYS+  74  11.78 +/- 0.43   0.015% *  0.0432% (0.14   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD    LYS+  66  12.36 +/- 0.79   0.012% *  0.0344% (0.11   0.02   0.02) =   0.000%
          QB    ALA   20 - HD2   LYS+ 121  20.81 +/- 0.75   0.001% *  0.2400% (0.80   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    LYS+  66  15.51 +/- 0.61   0.003% *  0.0298% (0.10   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD2   LYS+ 121  19.84 +/- 1.02   0.001% *  0.0833% (0.28   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+  74  16.16 +/- 0.84   0.002% *  0.0144% (0.05   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD3   LYS+  74  17.73 +/- 0.57   0.001% *  0.0228% (0.08   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+  74  17.38 +/- 0.71   0.001% *  0.0130% (0.04   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD    LYS+  66  18.46 +/- 0.81   0.001% *  0.0181% (0.06   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HD3   LYS+  74  22.36 +/- 0.84   0.000% *  0.0468% (0.16   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    LYS+  66  21.08 +/- 0.75   0.000% *  0.0104% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 6.18, residual support = 312.2:
    * O T HG3   LYS+ 121 - HD2   LYS+ 121   2.94 +/- 0.11  96.831% * 99.2289% (1.00   6.18 312.15) =  99.999%  kept
          QD2   LEU  123 - QD    LYS+  66   5.57 +/- 0.64   2.756% *  0.0194% (0.06   0.02   0.02) =   0.001%
          QD2   LEU  123 - HD2   LYS+ 121   9.55 +/- 0.52   0.091% *  0.1563% (0.49   0.02   2.34) =   0.000%
          QD1   ILE   56 - HD2   LYS+ 121  12.47 +/- 0.97   0.020% *  0.1947% (0.61   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HD3   LYS+  74   8.47 +/- 0.33   0.175% *  0.0171% (0.05   0.02  45.28) =   0.000%
        T HG3   LYS+ 121 - QD    LYS+  66  11.36 +/- 0.91   0.034% *  0.0399% (0.12   0.02   0.02) =   0.000%
          QD1   ILE   56 - HD3   LYS+  74  11.30 +/- 0.49   0.032% *  0.0304% (0.09   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD    LYS+  66  11.74 +/- 0.91   0.029% *  0.0242% (0.08   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HD2   LYS+ 121  14.92 +/- 0.95   0.006% *  0.1095% (0.34   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD    LYS+  66  12.64 +/- 0.45   0.016% *  0.0136% (0.04   0.02   0.02) =   0.000%
          HG    LEU   31 - HD2   LYS+ 121  20.72 +/- 1.14   0.001% *  0.0715% (0.22   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+  74  15.20 +/- 0.77   0.005% *  0.0111% (0.03   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HD3   LYS+  74  21.43 +/- 1.01   0.001% *  0.0501% (0.16   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+  74  19.32 +/- 0.85   0.001% *  0.0244% (0.08   0.02   0.02) =   0.000%
          HG    LEU   31 - QD    LYS+  66  21.07 +/- 1.00   0.001% *  0.0089% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1565 (1.50, 1.50, 29.95 ppm):
    3 diagonal assignments:
    *     HD2   LYS+ 121 - HD2   LYS+ 121  (1.00)  kept
          QD    LYS+  66 - QD    LYS+  66  (0.10)  kept
          HD3   LYS+  74 - HD3   LYS+  74  (0.03)  kept
 
    Peak 1566 (2.75, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.13, residual support = 312.2:
    * O   QE    LYS+ 121 - HD2   LYS+ 121   2.43 +/- 0.14  98.029% * 99.0308% (1.00   6.13 312.15) =  99.999%  kept
          HB3   HIS  122 - HD2   LYS+ 121   7.34 +/- 1.15   0.275% *  0.2698% (0.84   0.02  48.17) =   0.001%
          HB3   HIS  122 - QD    LYS+  66   5.27 +/- 0.84   1.655% *  0.0335% (0.10   0.02   0.02) =   0.001%
          QE    LYS+ 121 - QD    LYS+  66  11.33 +/- 0.93   0.011% *  0.0402% (0.12   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+  74  10.07 +/- 1.06   0.025% *  0.0078% (0.02   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD3   LYS+  74  14.02 +/- 0.39   0.003% *  0.0346% (0.11   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD2   LYS+ 121  23.22 +/- 1.13   0.000% *  0.2219% (0.69   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD3   LYS+  74  18.14 +/- 1.01   0.001% *  0.0421% (0.13   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HD3   LYS+  74  20.07 +/- 1.10   0.000% *  0.0504% (0.16   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+  74  18.71 +/- 0.55   0.001% *  0.0226% (0.07   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD2   LYS+ 121  25.78 +/- 0.99   0.000% *  0.1448% (0.45   0.02   0.02) =   0.000%
        T HG2   GLN   30 - QD    LYS+  66  20.02 +/- 0.50   0.000% *  0.0276% (0.09   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+ 121  27.84 +/- 0.72   0.000% *  0.0498% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   28 - QD    LYS+  66  25.41 +/- 0.57   0.000% *  0.0180% (0.06   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  66  24.62 +/- 1.21   0.000% *  0.0062% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 66.7:
    * O T HB2   HIS  122 - HA    HIS  122   2.42 +/- 0.02  99.998% * 98.7181% (1.00   2.76  66.72) = 100.000%  kept
          HA    LYS+ 112 - HA    HIS  122  14.68 +/- 0.29   0.002% *  0.6409% (0.90   0.02   0.02) =   0.000%
          HB    THR   46 - HA    HIS  122  20.39 +/- 0.56   0.000% *  0.6409% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 1.0, support = 3.54, residual support = 66.7:
    * O T HB3   HIS  122 - HA    HIS  122   2.94 +/- 0.22  97.809% * 99.0127% (1.00   3.54  66.72) =  99.989%  kept
          QE    LYS+ 121 - HA    HIS  122   6.25 +/- 1.14   2.190% *  0.4678% (0.84   0.02  48.17) =   0.011%
          HG2   GLN   30 - HA    HIS  122  22.10 +/- 0.53   0.001% *  0.1911% (0.34   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    HIS  122  28.36 +/- 0.63   0.000% *  0.2303% (0.41   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    HIS  122  26.40 +/- 0.58   0.000% *  0.0981% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 66.7:
    * O T HA    HIS  122 - HB2   HIS  122   2.42 +/- 0.02  99.995% * 99.0680% (1.00   2.76  66.72) = 100.000%  kept
          HA    VAL   41 - HB2   HIS  122  13.04 +/- 0.51   0.004% *  0.5743% (0.80   0.02   0.02) =   0.000%
          HA    PHE   45 - HB2   HIS  122  18.09 +/- 0.44   0.001% *  0.1788% (0.25   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   HIS  122  21.66 +/- 0.40   0.000% *  0.1788% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1571 (3.45, 3.45, 31.73 ppm):
    1 diagonal assignment:
    *     HB2   HIS  122 - HB2   HIS  122  (1.00)  kept
 
    Peak 1572 (2.76, 3.45, 31.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.41, residual support = 66.7:
    * O T HB3   HIS  122 - HB2   HIS  122   1.75 +/- 0.00  99.983% * 98.9777% (1.00   3.41  66.72) = 100.000%  kept
          QE    LYS+ 121 - HB2   HIS  122   8.05 +/- 1.08   0.017% *  0.4845% (0.84   0.02  48.17) =   0.000%
          HG2   GLN   30 - HB2   HIS  122  21.18 +/- 0.57   0.000% *  0.1978% (0.34   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   HIS  122  26.94 +/- 0.63   0.000% *  0.2384% (0.41   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   HIS  122  26.01 +/- 0.66   0.000% *  0.1016% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 3.54, residual support = 66.7:
    * O T HA    HIS  122 - HB3   HIS  122   2.94 +/- 0.22  99.988% * 99.2703% (1.00   3.54  66.72) = 100.000%  kept
          HA    VAL   41 - HB3   HIS  122  13.85 +/- 0.93   0.009% *  0.4497% (0.80   0.02   0.02) =   0.000%
          HA    PHE   45 - HB3   HIS  122  17.92 +/- 0.60   0.002% *  0.1400% (0.25   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   HIS  122  20.87 +/- 0.37   0.001% *  0.1400% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1574 (3.45, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.41, residual support = 66.7:
    * O T HB2   HIS  122 - HB3   HIS  122   1.75 +/- 0.00  99.999% * 98.9598% (1.00   3.41  66.72) = 100.000%  kept
          HA    LYS+ 112 - HB3   HIS  122  12.60 +/- 0.48   0.001% *  0.5201% (0.90   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   HIS  122  18.50 +/- 0.61   0.000% *  0.5201% (0.90   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1575 (2.76, 2.76, 31.73 ppm):
    1 diagonal assignment:
    *     HB3   HIS  122 - HB3   HIS  122  (1.00)  kept
 
    Peak 1576 (4.38, 4.38, 55.67 ppm):
    1 diagonal assignment:
    *     HA    LEU  123 - HA    LEU  123  (1.00)  kept
 
    Peak 1577 (1.68, 4.38, 55.67 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 194.1:
    * O T HB2   LEU  123 - HA    LEU  123   3.00 +/- 0.02  99.622% * 97.7989% (1.00   6.00 194.13) = 100.000%  kept
          HB2   LYS+ 121 - HA    LEU  123   7.78 +/- 0.29   0.338% *  0.1006% (0.31   0.02   2.34) =   0.000%
          QD    LYS+  65 - HA    LEU  123  12.43 +/- 0.90   0.022% *  0.1112% (0.34   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HA    LEU  123  14.17 +/- 0.78   0.010% *  0.1340% (0.41   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HA    LEU  123  17.30 +/- 0.77   0.003% *  0.1462% (0.45   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU  123  19.81 +/- 0.53   0.001% *  0.2924% (0.90   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU  123  20.35 +/- 1.41   0.001% *  0.3009% (0.92   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU  123  21.12 +/- 0.47   0.001% *  0.3253% (1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    LEU  123  20.68 +/- 0.78   0.001% *  0.1846% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LEU  123  21.66 +/- 0.70   0.001% *  0.2109% (0.65   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU  123  23.43 +/- 0.50   0.000% *  0.2610% (0.80   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LEU  123  29.23 +/- 0.73   0.000% *  0.1340% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 5.96, residual support = 194.1:
    * O T HB3   LEU  123 - HA    LEU  123   2.59 +/- 0.05  99.997% * 98.8306% (1.00   5.96 194.13) = 100.000%  kept
          QB    ALA   57 - HA    LEU  123  15.96 +/- 0.35   0.002% *  0.2875% (0.87   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LEU  123  20.76 +/- 0.44   0.000% *  0.2972% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LEU  123  22.53 +/- 1.41   0.000% *  0.3314% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LEU  123  22.10 +/- 1.50   0.000% *  0.1876% (0.57   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LEU  123  24.66 +/- 0.78   0.000% *  0.0656% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1579 (1.85, 4.38, 55.67 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.42, residual support = 194.1:
    * O T HG    LEU  123 - HA    LEU  123   3.53 +/- 0.46  93.769% * 96.0292% (0.69   5.42 194.13) =  99.994%  kept
          QB    LYS+  66 - HA    LEU  123   5.87 +/- 0.64   6.084% *  0.0796% (0.15   0.02   0.02) =   0.005%
          HG3   PRO   68 - HA    LEU  123  11.85 +/- 0.79   0.079% *  0.4764% (0.92   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LEU  123  13.23 +/- 0.40   0.039% *  0.4311% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LEU  123  16.54 +/- 0.35   0.010% *  0.2715% (0.53   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  123  20.94 +/- 0.47   0.002% *  0.4629% (0.90   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU  123  19.18 +/- 0.65   0.004% *  0.1435% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  123  22.72 +/- 0.77   0.002% *  0.3748% (0.73   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LEU  123  23.77 +/- 0.81   0.001% *  0.4477% (0.87   0.02   0.02) =   0.000%
        T HB    ILE   56 - HA    LEU  123  18.34 +/- 0.45   0.006% *  0.0904% (0.18   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  123  21.10 +/- 0.53   0.002% *  0.2122% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU  123  24.02 +/- 0.43   0.001% *  0.3545% (0.69   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  123  30.09 +/- 0.79   0.000% *  0.3339% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LEU  123  30.31 +/- 0.47   0.000% *  0.2922% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1580 (0.86, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 194.1:
    *   T QD1   LEU  123 - HA    LEU  123   2.14 +/- 0.41  99.940% * 98.7151% (1.00   6.05 194.13) = 100.000%  kept
          QG1   VAL   70 - HA    LEU  123   9.81 +/- 0.49   0.031% *  0.3014% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    LEU  123  10.24 +/- 0.72   0.024% *  0.1114% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU  123  14.23 +/- 0.59   0.003% *  0.2728% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  123  16.25 +/- 0.57   0.001% *  0.2728% (0.84   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU  123  17.72 +/- 0.59   0.001% *  0.3265% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 2 structures by 0.02 A, kept.
 
    Peak 1581 (0.82, 4.38, 55.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 194.1:
    *   T QD2   LEU  123 - HA    LEU  123   2.79 +/- 0.18  99.892% * 99.7129% (1.00   4.76 194.13) = 100.000%  kept
          HG3   LYS+ 121 - HA    LEU  123   8.98 +/- 0.53   0.101% *  0.2041% (0.49   0.02   2.34) =   0.000%
          HB3   LEU  104 - HA    LEU  123  14.23 +/- 0.59   0.007% *  0.0830% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 1 structures by 0.01 A, kept.
 
    Peak 1582 (4.38, 1.68, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 194.1:
    * O T HA    LEU  123 - HB2   LEU  123   3.00 +/- 0.02  99.972% * 98.3857% (1.00   6.00 194.13) = 100.000%  kept
          HA    ASP- 113 - HB2   LEU  123  13.39 +/- 0.34   0.013% *  0.1725% (0.53   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU  123  15.90 +/- 0.24   0.005% *  0.3215% (0.98   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU  123  15.72 +/- 0.37   0.005% *  0.1231% (0.38   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   LEU  123  17.12 +/- 0.50   0.003% *  0.1725% (0.53   0.02   0.02) =   0.000%
        T HA    LYS+  99 - HB2   LEU  123  19.00 +/- 0.53   0.002% *  0.2845% (0.87   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   LEU  123  24.41 +/- 0.52   0.000% *  0.3165% (0.97   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LEU  123  22.51 +/- 0.79   0.001% *  0.1119% (0.34   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU  123  27.73 +/- 1.45   0.000% *  0.1119% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 5.31, residual support = 194.1:
    * O T HG    LEU  123 - HB2   LEU  123   2.31 +/- 0.20  99.888% * 95.9551% (0.69   5.31 194.13) = 100.000%  kept
          QB    LYS+  66 - HB2   LEU  123   7.79 +/- 0.66   0.102% *  0.0811% (0.15   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LEU  123  12.52 +/- 0.40   0.005% *  0.4392% (0.84   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LEU  123  14.55 +/- 0.73   0.002% *  0.4853% (0.92   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HB2   LEU  123  15.72 +/- 0.32   0.001% *  0.2766% (0.53   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LEU  123  20.19 +/- 0.41   0.000% *  0.4715% (0.90   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LEU  123  20.64 +/- 0.46   0.000% *  0.2161% (0.41   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LEU  123  17.93 +/- 0.27   0.001% *  0.0921% (0.18   0.02   0.02) =   0.000%
        T HB    VAL   41 - HB2   LEU  123  19.78 +/- 0.74   0.000% *  0.1462% (0.28   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LEU  123  23.97 +/- 0.78   0.000% *  0.4561% (0.87   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   LEU  123  23.36 +/- 0.39   0.000% *  0.3611% (0.69   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   LEU  123  24.03 +/- 0.65   0.000% *  0.3818% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   LEU  123  29.54 +/- 0.86   0.000% *  0.3401% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LEU  123  30.30 +/- 0.45   0.000% *  0.2977% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1586 (0.86, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.94, residual support = 194.1:
    * O T QD1   LEU  123 - HB2   LEU  123   2.68 +/- 0.19  99.949% * 98.6924% (1.00   5.94 194.13) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU  123  11.14 +/- 0.43   0.021% *  0.3068% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  123  11.13 +/- 0.82   0.022% *  0.1134% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU  123  13.81 +/- 0.40   0.006% *  0.2776% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  123  17.36 +/- 0.56   0.001% *  0.2776% (0.84   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  123  19.13 +/- 0.57   0.001% *  0.3323% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1587 (0.82, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 194.1:
    * O T QD2   LEU  123 - HB2   LEU  123   3.04 +/- 0.07  99.588% * 99.7123% (1.00   4.75 194.13) =  99.999%  kept
        T HG3   LYS+ 121 - HB2   LEU  123   7.73 +/- 0.41   0.400% *  0.2045% (0.49   0.02   2.34) =   0.001%
          HB3   LEU  104 - HB2   LEU  123  13.81 +/- 0.40   0.012% *  0.0831% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1594 (4.38, 1.85, 26.16 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 5.42, residual support = 194.1:
    * O T HA    LEU  123 - HG    LEU  123   3.53 +/- 0.46  99.864% * 98.2151% (0.69   5.42 194.13) = 100.000%  kept
          HA    ASP- 113 - HG    LEU  123  12.50 +/- 0.84   0.068% *  0.1908% (0.36   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU  123  14.46 +/- 0.40   0.026% *  0.3554% (0.67   0.02   0.02) =   0.000%
          HA    PRO   58 - HG    LEU  123  14.09 +/- 0.51   0.029% *  0.1361% (0.26   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU  123  18.09 +/- 0.66   0.006% *  0.1908% (0.36   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  123  20.10 +/- 0.70   0.003% *  0.3145% (0.60   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU  123  25.42 +/- 0.76   0.001% *  0.3499% (0.66   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG    LEU  123  22.44 +/- 1.14   0.002% *  0.1237% (0.23   0.02   0.02) =   0.000%
          HA    SER   13 - HG    LEU  123  27.69 +/- 1.80   0.001% *  0.1237% (0.23   0.02   0.02) =   0.000%
    Distance limit 4.90 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 = 5.31, residual support = 194.1:
    * O T HB2   LEU  123 - HG    LEU  123   2.31 +/- 0.20  99.906% * 97.5218% (0.69   5.31 194.13) = 100.000%  kept
          HB2   LYS+ 121 - HG    LEU  123   7.57 +/- 0.33   0.085% *  0.1133% (0.21   0.02   2.34) =   0.000%
        T QD    LYS+  65 - HG    LEU  123  13.51 +/- 1.17   0.005% *  0.1252% (0.23   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG    LEU  123  15.91 +/- 0.79   0.001% *  0.1509% (0.28   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG    LEU  123  17.21 +/- 0.99   0.001% *  0.3292% (0.62   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG    LEU  123  16.71 +/- 1.05   0.001% *  0.1646% (0.31   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG    LEU  123  19.60 +/- 0.50   0.000% *  0.3662% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG    LEU  123  20.98 +/- 1.35   0.000% *  0.3388% (0.63   0.02   0.02) =   0.000%
          HB3   MET   92 - HG    LEU  123  21.78 +/- 0.66   0.000% *  0.2939% (0.55   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG    LEU  123  22.49 +/- 0.82   0.000% *  0.2374% (0.44   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG    LEU  123  22.83 +/- 0.82   0.000% *  0.2078% (0.39   0.02   0.02) =   0.000%
          HB    VAL   83 - HG    LEU  123  29.39 +/- 0.76   0.000% *  0.1509% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 5.23, residual support = 194.1:
    * O T HB3   LEU  123 - HG    LEU  123   2.71 +/- 0.05  99.995% * 98.6681% (0.69   5.23 194.13) = 100.000%  kept
          QB    ALA   57 - HG    LEU  123  15.13 +/- 0.35   0.003% *  0.3275% (0.60   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG    LEU  123  18.26 +/- 0.69   0.001% *  0.3386% (0.62   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG    LEU  123  22.26 +/- 1.71   0.000% *  0.2137% (0.39   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG    LEU  123  24.44 +/- 1.53   0.000% *  0.3775% (0.69   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG    LEU  123  23.11 +/- 0.86   0.000% *  0.0747% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 5.62, residual support = 194.1:
    * O T QD1   LEU  123 - HG    LEU  123   2.13 +/- 0.01  99.987% * 98.6183% (0.69   5.62 194.13) = 100.000%  kept
          QG1   VAL   70 - HG    LEU  123  11.67 +/- 0.70   0.004% *  0.3242% (0.63   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  123  10.71 +/- 1.03   0.008% *  0.1198% (0.23   0.02   0.02) =   0.000%
          HB3   LEU  104 - HG    LEU  123  15.09 +/- 0.48   0.001% *  0.2933% (0.57   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  123  16.89 +/- 0.65   0.000% *  0.2933% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU  123  19.36 +/- 0.87   0.000% *  0.3512% (0.69   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1599 (0.82, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.44, residual support = 194.1:
    * O T QD2   LEU  123 - HG    LEU  123   2.12 +/- 0.01  99.983% * 99.6927% (0.69   4.44 194.13) = 100.000%  kept
          HG3   LYS+ 121 - HG    LEU  123   9.17 +/- 0.52   0.016% *  0.2185% (0.33   0.02   2.34) =   0.000%
          HB3   LEU  104 - HG    LEU  123  15.09 +/- 0.48   0.001% *  0.0888% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1600 (4.38, 0.86, 26.01 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 194.1:
    *   T HA    LEU  123 - QD1   LEU  123   2.14 +/- 0.41  99.958% * 98.3978% (1.00   6.05 194.13) = 100.000%  kept
          HA    ILE   56 - QD1   LEU  123  11.22 +/- 0.28   0.009% *  0.3190% (0.98   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD1   LEU  123  10.83 +/- 0.33   0.015% *  0.1712% (0.53   0.02   0.02) =   0.000%
          HA    PRO   58 - QD1   LEU  123  10.54 +/- 0.32   0.013% *  0.1222% (0.38   0.02   0.02) =   0.000%
          HA    LEU   40 - QD1   LEU  123  13.86 +/- 0.45   0.002% *  0.1712% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD1   LEU  123  15.67 +/- 0.50   0.001% *  0.2823% (0.87   0.02   0.02) =   0.000%
          HA    ASN   35 - QD1   LEU  123  19.98 +/- 0.53   0.000% *  0.3141% (0.97   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD1   LEU  123  16.99 +/- 0.66   0.001% *  0.1110% (0.34   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU  123  21.40 +/- 1.30   0.000% *  0.1110% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1601 (1.68, 0.86, 26.01 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.94, residual support = 194.1:
    * O T HB2   LEU  123 - QD1   LEU  123   2.68 +/- 0.19  98.796% * 97.7771% (1.00   5.94 194.13) =  99.999%  kept
          HB2   LYS+ 121 - QD1   LEU  123   5.76 +/- 0.16   1.121% *  0.1016% (0.31   0.02   2.34) =   0.001%
          QD    LYS+  65 - QD1   LEU  123   9.82 +/- 0.80   0.052% *  0.1123% (0.34   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU  123  12.38 +/- 0.49   0.011% *  0.1354% (0.41   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  123  14.45 +/- 0.43   0.004% *  0.2953% (0.90   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  123  13.48 +/- 0.70   0.007% *  0.1476% (0.45   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  123  15.51 +/- 0.35   0.003% *  0.3285% (1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  123  16.97 +/- 1.11   0.002% *  0.3039% (0.92   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  123  17.51 +/- 0.43   0.001% *  0.2636% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD1   LEU  123  17.27 +/- 0.63   0.002% *  0.2130% (0.65   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD1   LEU  123  18.07 +/- 0.57   0.001% *  0.1864% (0.57   0.02   0.02) =   0.000%
          HB    VAL   83 - QD1   LEU  123  23.28 +/- 0.64   0.000% *  0.1354% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1602 (1.63, 0.86, 26.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 0.02, residual support = 194.0:
    * O T HB3   LEU  123 - QD1   LEU  123   3.13 +/- 0.04  99.946% * 22.0833% (1.00   0.02 194.13) =  99.956%  kept
          QB    ALA   57 - QD1   LEU  123  11.67 +/- 0.23   0.037% * 19.1557% (0.87   0.02   0.02) =   0.033%
          HD3   LYS+ 111 - QD1   LEU  123  15.31 +/- 0.47   0.007% * 19.8050% (0.90   0.02   0.02) =   0.007%
          HD2   LYS+  74 - QD1   LEU  123  17.11 +/- 1.27   0.004% * 12.5025% (0.57   0.02   0.02) =   0.002%
          QD    LYS+  33 - QD1   LEU  123  18.99 +/- 1.04   0.002% * 22.0833% (1.00   0.02   0.02) =   0.002%
          HG3   ARG+  54 - QD1   LEU  123  18.39 +/- 0.63   0.002% *  4.3703% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 12 structures by 0.12 A, eliminated.
    Peak unassigned.
 
    Peak 1603 (1.85, 0.86, 26.01 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.62, residual support = 194.1:
    * O T HG    LEU  123 - QD1   LEU  123   2.13 +/- 0.01  98.659% * 96.1649% (0.69   5.62 194.13) =  99.999%  kept
          QB    LYS+  66 - QD1   LEU  123   4.62 +/- 0.62   1.320% *  0.0769% (0.15   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD1   LEU  123  10.26 +/- 0.25   0.008% *  0.4164% (0.84   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD1   LEU  123  10.68 +/- 0.78   0.007% *  0.4602% (0.92   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   LEU  123  12.81 +/- 0.25   0.002% *  0.2623% (0.53   0.02   0.02) =   0.000%
          HB    ILE  103 - QD1   LEU  123  16.97 +/- 0.33   0.000% *  0.4471% (0.90   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   LEU  123  13.09 +/- 0.31   0.002% *  0.0873% (0.18   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   LEU  123  17.69 +/- 0.65   0.000% *  0.4324% (0.87   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   LEU  123  17.77 +/- 0.35   0.000% *  0.3424% (0.69   0.02   0.02) =   0.000%
          HB    VAL   41 - QD1   LEU  123  15.75 +/- 0.52   0.001% *  0.1386% (0.28   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU  123  17.06 +/- 0.44   0.000% *  0.2049% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   LEU  123  19.09 +/- 0.71   0.000% *  0.3620% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   LEU  123  23.38 +/- 0.68   0.000% *  0.3225% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   LEU  123  23.97 +/- 0.40   0.000% *  0.2822% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1604 (0.86, 0.86, 26.01 ppm):
    1 diagonal assignment:
    *     QD1   LEU  123 - QD1   LEU  123  (1.00)  kept
 
    Peak 1605 (0.82, 0.86, 26.01 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.92, residual support = 194.1:
    * O T QD2   LEU  123 - QD1   LEU  123   2.10 +/- 0.03  99.935% * 99.7224% (1.00   4.92 194.13) = 100.000%  kept
          HG3   LYS+ 121 - QD1   LEU  123   7.26 +/- 0.29   0.061% *  0.1974% (0.49   0.02   2.34) =   0.000%
        T HB3   LEU  104 - QD1   LEU  123  11.87 +/- 0.44   0.003% *  0.0802% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1606 (4.38, 0.82, 23.66 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 194.1:
    *   T HA    LEU  123 - QD2   LEU  123   2.79 +/- 0.18  99.946% * 97.9718% (1.00   4.76 194.13) = 100.000%  kept
          HA    ILE   56 - QD2   LEU  123  12.88 +/- 0.36   0.011% *  0.4039% (0.98   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD2   LEU  123  11.80 +/- 0.36   0.019% *  0.2168% (0.53   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU  123  11.89 +/- 0.46   0.018% *  0.1546% (0.38   0.02   0.02) =   0.000%
          HA    LEU   40 - QD2   LEU  123  16.15 +/- 0.42   0.003% *  0.2168% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD2   LEU  123  17.96 +/- 0.49   0.002% *  0.3574% (0.87   0.02   0.02) =   0.000%
          HA    ASN   35 - QD2   LEU  123  22.25 +/- 0.50   0.000% *  0.3976% (0.97   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU  123  18.79 +/- 0.61   0.001% *  0.1405% (0.34   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU  123  22.90 +/- 1.27   0.000% *  0.1405% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1607 (1.68, 0.82, 23.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 194.1:
    * O T HB2   LEU  123 - QD2   LEU  123   3.04 +/- 0.07  99.621% * 97.2337% (1.00   4.75 194.13) =  99.999%  kept
        T HB2   LYS+ 121 - QD2   LEU  123   8.05 +/- 0.14   0.293% *  0.1265% (0.31   0.02   2.34) =   0.000%
          QD    LYS+  65 - QD2   LEU  123  10.86 +/- 0.88   0.055% *  0.1398% (0.34   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU  123  15.87 +/- 0.57   0.005% *  0.3674% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD2   LEU  123  14.22 +/- 0.55   0.010% *  0.1684% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU  123  17.43 +/- 0.41   0.003% *  0.4088% (1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU  123  15.53 +/- 0.78   0.006% *  0.1837% (0.45   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU  123  18.90 +/- 1.15   0.002% *  0.3782% (0.92   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU  123  19.52 +/- 0.48   0.001% *  0.3281% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD2   LEU  123  19.74 +/- 0.59   0.001% *  0.2650% (0.65   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU  123  19.74 +/- 0.59   0.001% *  0.2320% (0.57   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU  123  25.81 +/- 0.64   0.000% *  0.1684% (0.41   0.02   0.02) =   0.000%
    Distance limit 5.06 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 = 4.54, residual support = 194.1:
    * O T HB3   LEU  123 - QD2   LEU  123   2.07 +/- 0.05  99.998% * 98.4684% (1.00   4.54 194.13) = 100.000%  kept
          QB    ALA   57 - QD2   LEU  123  12.96 +/- 0.35   0.002% *  0.3765% (0.87   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU  123  16.81 +/- 0.38   0.000% *  0.3893% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD2   LEU  123  20.91 +/- 1.14   0.000% *  0.4341% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD2   LEU  123  19.34 +/- 1.36   0.000% *  0.2458% (0.57   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD2   LEU  123  19.74 +/- 0.72   0.000% *  0.0859% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1609 (1.85, 0.82, 23.66 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.44, residual support = 194.1:
    * O T HG    LEU  123 - QD2   LEU  123   2.12 +/- 0.01  99.804% * 95.1988% (0.69   4.44 194.13) = 100.000%  kept
          QB    LYS+  66 - QD2   LEU  123   6.20 +/- 0.55   0.188% *  0.0963% (0.15   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD2   LEU  123  11.90 +/- 0.71   0.003% *  0.5761% (0.92   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD2   LEU  123  12.71 +/- 0.28   0.002% *  0.5213% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD2   LEU  123  14.94 +/- 0.28   0.001% *  0.3283% (0.53   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD2   LEU  123  19.12 +/- 0.77   0.000% *  0.5413% (0.87   0.02   0.02) =   0.000%
          HB    ILE  103 - QD2   LEU  123  19.31 +/- 0.34   0.000% *  0.5597% (0.90   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD2   LEU  123  14.87 +/- 0.37   0.001% *  0.1093% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  123  19.40 +/- 0.42   0.000% *  0.4287% (0.69   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD2   LEU  123  21.09 +/- 0.65   0.000% *  0.4532% (0.73   0.02   0.02) =   0.000%
          HB    VAL   41 - QD2   LEU  123  18.23 +/- 0.51   0.000% *  0.1735% (0.28   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  123  19.50 +/- 0.41   0.000% *  0.2566% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD2   LEU  123  25.68 +/- 0.72   0.000% *  0.4037% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD2   LEU  123  26.14 +/- 0.42   0.000% *  0.3533% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1610 (0.86, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.92, residual support = 194.1:
    * O T QD1   LEU  123 - QD2   LEU  123   2.10 +/- 0.03  99.979% * 98.4252% (1.00   4.92 194.13) = 100.000%  kept
          QG1   VAL   70 - QD2   LEU  123  10.28 +/- 0.41   0.008% *  0.3694% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  123   9.81 +/- 0.70   0.011% *  0.1365% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU  123  14.10 +/- 0.39   0.001% *  0.3343% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD2   LEU  123  14.59 +/- 0.47   0.001% *  0.3343% (0.84   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  123  16.62 +/- 0.58   0.000% *  0.4002% (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 = 9.51:
    * O T QB    ALA  124 - HA    ALA  124   2.13 +/- 0.01  99.769% * 84.4132% (1.00   1.00   9.51) = 100.000%  kept
          HG2   LYS+  38 - HA    ALA   34   6.59 +/- 0.24   0.116% *  0.0435% (0.03   0.02   0.02) =   0.000%
        T HB2   LEU   31 - HA    ALA   34   7.93 +/- 0.11   0.037% *  0.1265% (0.07   0.02   4.96) =   0.000%
          HG2   LYS+  99 - HA    ALA   34   7.64 +/- 0.52   0.051% *  0.0603% (0.04   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   34  10.47 +/- 1.66   0.013% *  0.1916% (0.11   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA  124  14.60 +/- 0.72   0.001% *  1.5141% (0.90   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA  124  19.87 +/- 0.79   0.000% *  1.6293% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   34  10.67 +/- 0.48   0.007% *  0.0342% (0.02   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA  124  21.04 +/- 1.07   0.000% *  1.6548% (0.98   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA  124  17.63 +/- 1.13   0.000% *  0.5211% (0.31   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   34  16.14 +/- 0.37   0.001% *  0.1887% (0.11   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA  124  19.62 +/- 0.85   0.000% *  0.5759% (0.34   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA  124  23.09 +/- 0.55   0.000% *  1.5141% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   34  16.62 +/- 0.63   0.000% *  0.1753% (0.10   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA   34  17.04 +/- 0.33   0.000% *  0.1804% (0.11   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   34  14.10 +/- 1.03   0.001% *  0.0387% (0.02   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA  124  23.72 +/- 0.69   0.000% *  0.9558% (0.57   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA  124  26.25 +/- 0.61   0.000% *  1.5585% (0.92   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA  124  21.21 +/- 0.43   0.000% *  0.4210% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   34  18.12 +/- 0.46   0.000% *  0.1565% (0.09   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ALA   34  19.19 +/- 0.81   0.000% *  0.1955% (0.12   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA  124  22.46 +/- 2.16   0.000% *  0.3341% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   34  16.74 +/- 0.76   0.000% *  0.0667% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA  124  22.73 +/- 1.21   0.000% *  0.3759% (0.22   0.02   0.02) =   0.000%
        T HB2   LEU   31 - HA    ALA  124  27.61 +/- 0.98   0.000% *  1.0921% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   34  21.78 +/- 0.40   0.000% *  0.1753% (0.10   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA  124  24.30 +/- 1.04   0.000% *  0.2957% (0.18   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA  124  32.07 +/- 1.24   0.000% *  1.3519% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   34  26.68 +/- 0.34   0.000% *  0.1107% (0.07   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   34  28.81 +/- 0.29   0.000% *  0.0487% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 9.51:
    * O T HA    ALA  124 - QB    ALA  124   2.13 +/- 0.01  99.998% * 92.6901% (1.00   1.00   9.51) = 100.000%  kept
          HA    LEU  115 - QB    ALA  124  14.07 +/- 0.48   0.001% *  0.9023% (0.49   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA  124  21.78 +/- 0.51   0.000% *  1.8171% (0.98   0.02   0.02) =   0.000%
        T HA    ALA   34 - QB    ALA  124  19.19 +/- 0.81   0.000% *  0.6323% (0.34   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA  124  22.58 +/- 0.95   0.000% *  1.1992% (0.65   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA  124  20.82 +/- 0.76   0.000% *  0.3669% (0.20   0.02   0.02) =   0.000%
        T HA    ASN   28 - QB    ALA  124  25.64 +/- 0.68   0.000% *  0.9753% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA  124  29.46 +/- 0.52   0.000% *  1.4167% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.58 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 = 5.72, residual support = 194.1:
    * O T HB3   LEU  123 - HB2   LEU  123   1.75 +/- 0.00 100.000% * 98.7820% (1.00   5.72 194.13) = 100.000%  kept
          QB    ALA   57 - HB2   LEU  123  16.41 +/- 0.24   0.000% *  0.2994% (0.87   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   LEU  123  18.85 +/- 0.47   0.000% *  0.3096% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LEU  123  24.02 +/- 1.32   0.000% *  0.3452% (1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB2   LEU  123  23.01 +/- 1.48   0.000% *  0.1954% (0.57   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   LEU  123  24.77 +/- 0.76   0.000% *  0.0683% (0.20   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 = 5.72, residual support = 194.1:
      O T HB2   LEU  123 - HB3   LEU  123   1.75 +/- 0.00  99.990% * 97.6832% (0.99   5.72 194.13) = 100.000%  kept
          HB2   LYS+ 121 - HB3   LEU  123   8.26 +/- 0.11   0.009% *  0.1293% (0.38   0.02   2.34) =   0.000%
        T QD    LYS+  65 - HB3   LEU  123  14.37 +/- 0.95   0.000% *  0.1416% (0.41   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU  123  15.54 +/- 0.71   0.000% *  0.1175% (0.34   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU  123  19.40 +/- 0.56   0.000% *  0.2877% (0.84   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU  123  17.77 +/- 0.95   0.000% *  0.1293% (0.38   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB3   LEU  123  21.07 +/- 1.46   0.000% *  0.3324% (0.97   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU  123  21.95 +/- 0.40   0.000% *  0.3436% (1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LEU  123  22.25 +/- 0.73   0.000% *  0.2228% (0.65   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU  123  24.04 +/- 0.50   0.000% *  0.2501% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB3   LEU  123  23.67 +/- 0.73   0.000% *  0.1950% (0.57   0.02   0.02) =   0.000%
        T HB    VAL   83 - HB3   LEU  123  30.83 +/- 0.75   0.000% *  0.1676% (0.49   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 = 5.85, residual support = 194.1:
    * O T QD1   LEU  123 - HB3   LEU  123   3.13 +/- 0.04  99.918% * 98.6724% (1.00   5.85 194.13) = 100.000%  kept
          QG1   VAL   70 - HB3   LEU  123  11.71 +/- 0.45   0.037% *  0.3115% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB3   LEU  123  12.10 +/- 0.78   0.032% *  0.1151% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  15.21 +/- 0.47   0.008% *  0.2818% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB3   LEU  123  18.03 +/- 0.55   0.003% *  0.2818% (0.84   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB3   LEU  123  19.70 +/- 0.58   0.002% *  0.3374% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1637 (0.82, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 194.1:
    * O T QD2   LEU  123 - HB3   LEU  123   2.07 +/- 0.05  99.987% * 99.6991% (1.00   4.54 194.13) = 100.000%  kept
          HG3   LYS+ 121 - HB3   LEU  123   9.28 +/- 0.44   0.013% *  0.2139% (0.49   0.02   2.34) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  15.21 +/- 0.47   0.001% *  0.0870% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 5.23, residual support = 194.1:
    * O T HG    LEU  123 - HB3   LEU  123   2.71 +/- 0.05  99.814% * 95.8910% (0.69   5.23 194.13) = 100.000%  kept
          QB    LYS+  66 - HB3   LEU  123   8.01 +/- 0.64   0.171% *  0.0824% (0.15   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HB3   LEU  123  14.36 +/- 0.80   0.005% *  0.4930% (0.92   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   LEU  123  14.12 +/- 0.42   0.005% *  0.4461% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   LEU  123  17.20 +/- 0.33   0.002% *  0.2810% (0.53   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   LEU  123  21.78 +/- 0.43   0.000% *  0.4790% (0.90   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB3   LEU  123  24.73 +/- 0.81   0.000% *  0.4633% (0.87   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   LEU  123  19.06 +/- 0.30   0.001% *  0.0935% (0.18   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   LEU  123  22.19 +/- 0.49   0.000% *  0.2196% (0.41   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   LEU  123  20.98 +/- 0.70   0.000% *  0.1485% (0.28   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB3   LEU  123  24.74 +/- 0.71   0.000% *  0.3878% (0.73   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB3   LEU  123  24.52 +/- 0.40   0.000% *  0.3669% (0.69   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   LEU  123  31.05 +/- 0.84   0.000% *  0.3455% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   LEU  123  31.55 +/- 0.44   0.000% *  0.3024% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 5.96, residual support = 194.1:
    * O T HA    LEU  123 - HB3   LEU  123   2.59 +/- 0.05  99.992% * 98.3760% (1.00   5.96 194.13) = 100.000%  kept
          HA    ASP- 113 - HB3   LEU  123  14.68 +/- 0.37   0.003% *  0.1736% (0.53   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  123  16.88 +/- 0.27   0.001% *  0.3234% (0.98   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  123  16.18 +/- 0.41   0.002% *  0.1238% (0.38   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   LEU  123  18.15 +/- 0.54   0.001% *  0.1736% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  123  20.14 +/- 0.61   0.000% *  0.2862% (0.87   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   LEU  123  25.42 +/- 0.60   0.000% *  0.3184% (0.97   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LEU  123  22.79 +/- 0.78   0.000% *  0.1125% (0.34   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  123  27.76 +/- 1.49   0.000% *  0.1125% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1657 (1.50, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.19, residual support = 312.1:
    * O   HD2   LYS+ 121 - HD3   LYS+ 121   1.75 +/- 0.00  97.297% * 98.2096% (1.00   5.19 312.15) =  99.997%  kept
      O   HB3   LYS+ 121 - HD3   LYS+ 121   3.36 +/- 0.41   2.688% *  0.1167% (0.31   0.02 312.15) =   0.003%
          HG    LEU  104 - HD3   LYS+ 121   8.40 +/- 0.69   0.009% *  0.1167% (0.31   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD3   LYS+ 121  11.81 +/- 0.82   0.001% *  0.3028% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 121   9.97 +/- 0.94   0.004% *  0.0662% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HD3   LYS+ 121  13.74 +/- 0.96   0.000% *  0.0842% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD3   LYS+ 121  17.63 +/- 0.79   0.000% *  0.3749% (0.99   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 121  20.50 +/- 0.63   0.000% *  0.3650% (0.97   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD3   LYS+ 121  20.08 +/- 0.75   0.000% *  0.2890% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD3   LYS+ 121  20.65 +/- 0.84   0.000% *  0.0748% (0.20   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 = 312.2:
    * O   HG2   LYS+ 121 - HD3   LYS+ 121   2.91 +/- 0.18  99.781% * 99.1172% (1.00   6.28 312.15) = 100.000%  kept
          QG2   VAL  107 - HD3   LYS+ 121   9.60 +/- 0.70   0.093% *  0.2913% (0.92   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+ 121   9.52 +/- 0.52   0.091% *  0.0974% (0.31   0.02   1.18) =   0.000%
          HG13  ILE  103 - HD3   LYS+ 121  11.32 +/- 0.66   0.033% *  0.1536% (0.49   0.02   0.02) =   0.000%
          QB    ALA   20 - HD3   LYS+ 121  20.43 +/- 0.53   0.001% *  0.2527% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+ 121  18.90 +/- 0.82   0.001% *  0.0878% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 312.2:
    * O T HG3   LYS+ 121 - HD3   LYS+ 121   2.47 +/- 0.26  99.956% * 99.4488% (1.00   5.98 312.15) = 100.000%  kept
          QD2   LEU  123 - HD3   LYS+ 121  10.12 +/- 0.54   0.033% *  0.1619% (0.49   0.02   2.34) =   0.000%
        T QD1   ILE   56 - HD3   LYS+ 121  12.72 +/- 0.65   0.007% *  0.2018% (0.61   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HD3   LYS+ 121  14.36 +/- 0.67   0.003% *  0.1135% (0.34   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+ 121  19.84 +/- 0.99   0.000% *  0.0741% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1661 (1.66, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.15, residual support = 312.2:
    * O   HB2   LYS+ 121 - HD3   LYS+ 121   2.92 +/- 0.34  99.801% * 98.5544% (1.00   7.15 312.15) = 100.000%  kept
          HB2   LEU  123 - HD3   LYS+ 121   8.89 +/- 0.61   0.146% *  0.0851% (0.31   0.02   2.34) =   0.000%
          QD    LYS+ 102 - HD3   LYS+ 121  12.13 +/- 1.43   0.035% *  0.1450% (0.53   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   LYS+ 121  16.66 +/- 1.10   0.004% *  0.2472% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD3   LYS+ 121  16.73 +/- 0.79   0.003% *  0.2751% (1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+ 121  15.94 +/- 1.13   0.005% *  0.0766% (0.28   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+ 121  16.88 +/- 0.45   0.003% *  0.0851% (0.31   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD3   LYS+ 121  20.13 +/- 1.13   0.001% *  0.1672% (0.61   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+ 121  18.61 +/- 0.73   0.002% *  0.0940% (0.34   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+ 121  23.08 +/- 1.02   0.001% *  0.2702% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1662 (2.75, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.87, residual support = 312.2:
    * O   QE    LYS+ 121 - HD3   LYS+ 121   2.32 +/- 0.14  99.819% * 99.2817% (1.00   5.87 312.15) =  99.999%  kept
          HB3   HIS  122 - HD3   LYS+ 121   7.63 +/- 0.93   0.180% *  0.2824% (0.84   0.02  48.17) =   0.001%
          HG2   GLN   30 - HD3   LYS+ 121  22.46 +/- 0.78   0.000% *  0.2322% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+ 121  24.88 +/- 0.81   0.000% *  0.1516% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+ 121  27.51 +/- 0.88   0.000% *  0.0522% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1663 (3.94, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.65, residual support = 312.1:
    *   T HA    LYS+ 121 - HD3   LYS+ 121   4.28 +/- 0.51  91.681% * 98.2380% (1.00   6.66 312.15) =  99.978%  kept
          QB    SER  117 - HD3   LYS+ 121   7.37 +/- 0.95   6.384% *  0.2466% (0.84   0.02   0.02) =   0.017%
          HA    ALA  120 - HD3   LYS+ 121   8.41 +/- 0.45   1.686% *  0.2256% (0.76   0.02   2.55) =   0.004%
          HA    PHE   60 - HD3   LYS+ 121  12.73 +/- 0.47   0.155% *  0.0821% (0.28   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 121  16.13 +/- 0.83   0.040% *  0.2926% (0.99   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+ 121  16.29 +/- 0.78   0.035% *  0.1007% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 121  19.96 +/- 1.16   0.011% *  0.1214% (0.41   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 121  25.09 +/- 0.71   0.003% *  0.2792% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 121  25.83 +/- 0.70   0.002% *  0.2926% (0.99   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 121  23.14 +/- 0.75   0.004% *  0.1214% (0.41   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 = 312.2:
    * O T HG2   LYS+ 121 - HB3   LYS+ 121   2.73 +/- 0.25  99.531% * 99.2763% (0.84   7.67 312.15) =  99.999%  kept
          HG13  ILE  119 - HB3   LYS+ 121   7.00 +/- 0.38   0.374% *  0.0798% (0.26   0.02   1.18) =   0.000%
          QG2   VAL  107 - HB3   LYS+ 121   8.99 +/- 0.37   0.084% *  0.2388% (0.77   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB3   LYS+ 121  13.18 +/- 0.54   0.010% *  0.1259% (0.41   0.02   0.02) =   0.000%
          QB    ALA   20 - HB3   LYS+ 121  20.20 +/- 0.62   0.001% *  0.2072% (0.67   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB3   LYS+ 121  20.50 +/- 0.86   0.001% *  0.0719% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 312.2:
    * O T HG3   LYS+ 121 - HB3   LYS+ 121   2.51 +/- 0.29  99.859% * 99.5290% (0.84   7.00 312.15) = 100.000%  kept
          QD2   LEU  123 - HB3   LYS+ 121   8.05 +/- 0.17   0.122% *  0.1384% (0.41   0.02   2.34) =   0.000%
          QD1   ILE   56 - HB3   LYS+ 121  11.31 +/- 0.30   0.015% *  0.1724% (0.51   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HB3   LYS+ 121  14.70 +/- 0.65   0.003% *  0.0970% (0.28   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   LYS+ 121  21.17 +/- 1.01   0.000% *  0.0633% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 8.91, residual support = 312.2:
    * O T HB2   LYS+ 121 - HB3   LYS+ 121   1.75 +/- 0.00  99.963% * 98.8365% (0.84   8.91 312.15) = 100.000%  kept
          HB2   LEU  123 - HB3   LYS+ 121   6.61 +/- 0.21   0.036% *  0.0685% (0.26   0.02   2.34) =   0.000%
        T QD    LYS+  65 - HB3   LYS+ 121  15.27 +/- 0.70   0.000% *  0.2214% (0.83   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB3   LYS+ 121  14.48 +/- 1.48   0.000% *  0.1167% (0.44   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB3   LYS+ 121  15.17 +/- 0.91   0.000% *  0.0617% (0.23   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LYS+ 121  18.40 +/- 1.00   0.000% *  0.1990% (0.75   0.02   0.02) =   0.000%
          QB    ALA   57 - HB3   LYS+ 121  15.41 +/- 0.21   0.000% *  0.0685% (0.26   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+ 121  17.48 +/- 0.42   0.000% *  0.0757% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB3   LYS+ 121  19.66 +/- 1.16   0.000% *  0.1346% (0.51   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+ 121  23.94 +/- 0.92   0.000% *  0.2175% (0.82   0.02   0.02) =   0.000%
    Distance limit 2.58 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 = 0.822, support = 6.87, residual support = 286.0:
    *     QE    LYS+ 121 - HB3   LYS+ 121   4.10 +/- 0.27  84.978% * 61.5421% (0.84   7.05 312.15) =  90.108%  kept
          HB3   HIS  122 - HB3   LYS+ 121   5.61 +/- 0.37  15.016% * 38.2328% (0.70   5.25  48.17) =   9.892%  kept
        T HG2   GLN   30 - HB3   LYS+ 121  23.24 +/- 0.84   0.003% *  0.1199% (0.57   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB3   LYS+ 121  26.32 +/- 0.82   0.001% *  0.0782% (0.37   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB3   LYS+ 121  27.22 +/- 0.67   0.001% *  0.0269% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1671 (3.94, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.19, residual support = 312.1:
    * O T HA    LYS+ 121 - HB3   LYS+ 121   2.82 +/- 0.09  97.621% * 98.5631% (0.84   8.19 312.15) =  99.995%  kept
          HA    ALA  120 - HB3   LYS+ 121   5.80 +/- 0.32   1.321% *  0.1840% (0.64   0.02   2.55) =   0.003%
          QB    SER  117 - HB3   LYS+ 121   6.25 +/- 0.80   1.023% *  0.2011% (0.70   0.02   0.02) =   0.002%
          HA    PHE   60 - HB3   LYS+ 121  11.30 +/- 0.38   0.025% *  0.0669% (0.23   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LYS+ 121  16.19 +/- 0.46   0.003% *  0.2386% (0.83   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB3   LYS+ 121  14.93 +/- 0.68   0.005% *  0.0821% (0.28   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LYS+ 121  19.29 +/- 0.85   0.001% *  0.0990% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LYS+ 121  24.39 +/- 0.29   0.000% *  0.2386% (0.83   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LYS+ 121  24.63 +/- 0.40   0.000% *  0.2277% (0.79   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LYS+ 121  23.92 +/- 0.43   0.000% *  0.0990% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 0.814, support = 8.76, residual support = 312.2:
    * O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  83.595% * 59.7526% (0.84   8.91 312.15) =  88.515%  kept
      O T HD2   LYS+ 121 - HB2   LYS+ 121   2.51 +/- 0.55  16.399% * 39.5222% (0.65   7.61 312.15) =  11.485%  kept
        T QD    LYS+  66 - HB2   LYS+ 121   9.86 +/- 0.76   0.003% *  0.1550% (0.97   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121  10.53 +/- 0.60   0.002% *  0.1341% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  13.07 +/- 0.43   0.000% *  0.1166% (0.73   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  15.78 +/- 0.86   0.000% *  0.0909% (0.57   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  19.80 +/- 0.90   0.000% *  0.1103% (0.69   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  20.74 +/- 0.69   0.000% *  0.0782% (0.49   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.47 +/- 0.77   0.000% *  0.0400% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.56 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 = 0.796, support = 7.89, residual support = 305.6:
    * O T HB3   LYS+ 121 - HA    LYS+ 121   2.82 +/- 0.09  47.441% * 58.4243% (0.84   8.19 312.15) =  86.181%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.80 +/- 0.55   9.636% * 39.1450% (0.65   7.08 312.15) =  11.728%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.99 +/- 0.74  42.003% *  1.6010% (0.04   5.27 161.19) =   2.091%
        T QD    LYS+  66 - HA    LYS+  65   5.86 +/- 0.50   0.860% *  0.0103% (0.06   0.02  26.31) =   0.000%
        T QD    LYS+  66 - HA    LYS+ 121  10.04 +/- 0.72   0.029% *  0.1649% (0.97   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  11.94 +/- 0.33   0.009% *  0.1427% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  15.13 +/- 0.32   0.002% *  0.1240% (0.73   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  16.99 +/- 1.03   0.001% *  0.0967% (0.57   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  13.69 +/- 1.00   0.004% *  0.0074% (0.04   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  22.27 +/- 0.84   0.000% *  0.1173% (0.69   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  14.93 +/- 0.68   0.003% *  0.0090% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  12.38 +/- 0.26   0.007% *  0.0027% (0.02   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.64 +/- 0.54   0.000% *  0.0832% (0.49   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.86 +/- 0.62   0.000% *  0.0426% (0.25   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  16.37 +/- 1.17   0.001% *  0.0069% (0.04   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.54 +/- 0.60   0.002% *  0.0052% (0.03   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.08 +/- 0.67   0.001% *  0.0090% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.73 +/- 0.39   0.000% *  0.0078% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.942, support = 6.57, residual support = 303.2:
    *   T HD3   LYS+ 121 - HA    LYS+ 121   4.28 +/- 0.51  13.365% * 97.0579% (1.00   6.66 312.15) =  94.099%  kept
      O T HG3   LYS+  65 - HA    LYS+  65   2.75 +/- 0.49  85.132% *  0.9554% (0.01   5.27 161.19) =   5.900%  kept
          QB    ALA   61 - HA    LYS+  65   6.09 +/- 0.13   0.839% *  0.0056% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+  65   6.78 +/- 0.55   0.529% *  0.0036% (0.01   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  14.42 +/- 0.37   0.005% *  0.2530% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 121  11.52 +/- 0.54   0.019% *  0.0577% (0.20   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  13.20 +/- 0.45   0.009% *  0.0577% (0.20   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 121  15.67 +/- 0.29   0.003% *  0.1534% (0.53   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 121  14.73 +/- 0.25   0.004% *  0.0900% (0.31   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  65  11.90 +/- 0.56   0.017% *  0.0111% (0.04   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  10.11 +/- 0.37   0.045% *  0.0036% (0.01   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  17.11 +/- 0.90   0.002% *  0.0577% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  14.07 +/- 0.26   0.006% *  0.0183% (0.06   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  14.75 +/- 1.87   0.008% *  0.0111% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  23.29 +/- 0.58   0.000% *  0.2910% (1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 121  22.60 +/- 0.82   0.000% *  0.1769% (0.61   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  16.29 +/- 0.78   0.003% *  0.0183% (0.06   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.55 +/- 0.23   0.002% *  0.0159% (0.05   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  25.38 +/- 1.75   0.000% *  0.1769% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+ 121  27.37 +/- 0.97   0.000% *  0.2815% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.84 +/- 0.87   0.001% *  0.0450% (0.15   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  65  15.99 +/- 0.29   0.003% *  0.0096% (0.03   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  23.59 +/- 1.09   0.000% *  0.0727% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  14.36 +/- 0.49   0.005% *  0.0028% (0.01   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 121  27.46 +/- 1.06   0.000% *  0.1420% (0.49   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  17.92 +/- 0.90   0.001% *  0.0046% (0.02   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  65  22.83 +/- 1.07   0.000% *  0.0177% (0.06   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  65  22.23 +/- 1.10   0.000% *  0.0089% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1676 (2.75, 2.75, 41.87 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 121 - QE    LYS+ 121  (1.00)  kept
 
    Peak 1684 (0.24, 0.24, 20.84 ppm):
    1 diagonal assignment:
    *     QG2   THR  118 - QG2   THR  118  (0.80)  kept
 
    Peak 1685 (3.69, 3.69, 67.42 ppm):
    1 diagonal assignment:
    *     HA    THR  118 - HA    THR  118  (0.80)  kept
 
    Peak 1686 (3.88, 3.88, 68.07 ppm):
    1 diagonal assignment:
    *     HB    THR  118 - HB    THR  118  (1.00)  kept
 
    Peak 1694 (1.98, 1.46, 42.01 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.14, residual support = 227.8:
    * O T HB2   LEU  115 - HB3   LEU  115   1.75 +/- 0.00  99.698% * 98.6215% (1.00   6.14 227.84) = 100.000%  kept
          QB    GLU- 114 - HB3   LEU  115   4.79 +/- 0.26   0.257% *  0.0992% (0.31   0.02  13.72) =   0.000%
        T HB2   LEU   67 - HB3   LEU   40   6.90 +/- 0.90   0.039% *  0.0302% (0.09   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU  115  10.36 +/- 0.39   0.002% *  0.3206% (1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  13.13 +/- 0.95   0.001% *  0.2573% (0.80   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  15.15 +/- 0.94   0.000% *  0.1690% (0.53   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  13.46 +/- 0.26   0.000% *  0.0893% (0.28   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU   40  11.87 +/- 0.76   0.001% *  0.0169% (0.05   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU   40  12.22 +/- 1.04   0.001% *  0.0141% (0.04   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  13.30 +/- 1.50   0.001% *  0.0198% (0.06   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU  115  18.26 +/- 0.83   0.000% *  0.1440% (0.45   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU  115  18.74 +/- 0.71   0.000% *  0.1206% (0.38   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HB3   LEU   40  17.26 +/- 0.45   0.000% *  0.0377% (0.12   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   40  15.80 +/- 0.33   0.000% *  0.0116% (0.04   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   40  21.64 +/- 0.63   0.000% *  0.0376% (0.12   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  25.61 +/- 0.65   0.000% *  0.0105% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1695 (1.46, 1.46, 42.01 ppm):
    2 diagonal assignments:
    *     HB3   LEU  115 - HB3   LEU  115  (1.00)  kept
          HB3   LEU   40 - HB3   LEU   40  (0.04)  kept
 
    Peak 1704 (2.43, 2.43, 41.54 ppm):
    2 diagonal assignments:
    *     QE    LYS+ 112 - QE    LYS+ 112  (0.70)  kept
          HB3   ASP-  62 - HB3   ASP-  62  (0.07)  kept
 
    Peak 1709 (1.37, 1.19, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.99, residual support = 233.6:
    * O T HB2   LYS+ 112 - HB3   LYS+ 112   1.75 +/- 0.00  99.997% * 97.6999% (1.00   6.99 233.59) = 100.000%  kept
          HB3   PRO   93 - HB3   LYS+ 112  10.97 +/- 0.25   0.002% *  0.1361% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LYS+ 112  16.70 +/- 0.31   0.000% *  0.2741% (0.98   0.02   0.02) =   0.000%
        T HB    VAL   42 - HB3   LYS+ 112  18.41 +/- 0.33   0.000% *  0.2646% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HB3   LYS+ 112  18.74 +/- 0.78   0.000% *  0.2646% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 112  14.16 +/- 0.41   0.000% *  0.0432% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 112  16.72 +/- 0.58   0.000% *  0.0697% (0.25   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 112  18.82 +/- 0.25   0.000% *  0.1254% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB3   LYS+ 112  22.80 +/- 0.75   0.000% *  0.2741% (0.98   0.02   0.02) =   0.000%
          QB    LEU   98 - HB3   LYS+ 112  20.38 +/- 0.50   0.000% *  0.0778% (0.28   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 112  21.86 +/- 1.20   0.000% *  0.0954% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HB3   LYS+ 112  26.52 +/- 1.14   0.000% *  0.2772% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HB3   LYS+ 112  30.77 +/- 0.48   0.000% *  0.2508% (0.90   0.02   0.02) =   0.000%
          QB    ALA   12 - HB3   LYS+ 112  30.00 +/- 2.08   0.000% *  0.1471% (0.53   0.02   0.02) =   0.000%
    Distance limit 2.77 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 = 0.897, support = 4.43, residual support = 233.6:
    * O   HD2   LYS+ 112 - HD3   LYS+ 112   1.75 +/- 0.00  78.042% * 49.7605% (0.95   4.16 233.59) =  78.085%  kept
      O   HB3   LYS+ 112 - HD3   LYS+ 112   2.17 +/- 0.08  21.953% * 49.6467% (0.72   5.43 233.59) =  21.915%  kept
          HG3   LYS+ 111 - HD3   LYS+ 112   9.07 +/- 0.42   0.004% *  0.0899% (0.36   0.02  25.46) =   0.000%
          QG2   THR   94 - HD3   LYS+ 112  12.53 +/- 0.46   0.001% *  0.1917% (0.76   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 112  23.93 +/- 0.57   0.000% *  0.2373% (0.94   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 112  20.09 +/- 0.41   0.000% *  0.0739% (0.29   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1717 (1.11, 1.11, 29.98 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 112 - HD3   LYS+ 112  (0.89)  kept
 
    Peak 1724 (2.02, 1.53, 33.52 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.48, residual support = 312.5:
    * O   HB2   LYS+ 111 - HB3   LYS+ 111   1.75 +/- 0.00  86.147% * 98.0560% (1.00   6.48 312.62) =  99.972%  kept
          QB    GLU- 114 - HB3   LYS+ 111   2.54 +/- 0.42  13.852% *  0.1714% (0.57   0.02   6.19) =   0.028%
          HB    ILE  119 - HB3   LYS+ 111  11.05 +/- 0.34   0.001% *  0.0674% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LYS+ 111  23.63 +/- 0.45   0.000% *  0.3001% (0.99   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LYS+ 111  24.36 +/- 0.72   0.000% *  0.3001% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   LYS+ 111  24.03 +/- 0.37   0.000% *  0.2626% (0.87   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LYS+ 111  22.18 +/- 0.32   0.000% *  0.1474% (0.49   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB3   LYS+ 111  24.34 +/- 0.65   0.000% *  0.1474% (0.49   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LYS+ 111  23.77 +/- 0.40   0.000% *  0.1245% (0.41   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LYS+ 111  29.40 +/- 0.48   0.000% *  0.2715% (0.90   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   LYS+ 111  23.56 +/- 0.41   0.000% *  0.0674% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   LYS+ 111  25.27 +/- 0.36   0.000% *  0.0842% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.79 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 = 4.31, residual support = 56.6:
    * O T QG1   VAL  107 - HA    VAL  107   2.13 +/- 0.08  99.982% * 98.9473% (1.00   4.31  56.62) = 100.000%  kept
          HD3   LYS+ 112 - HA    VAL  107  11.66 +/- 0.32   0.004% *  0.3332% (0.73   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107  10.33 +/- 0.65   0.008% *  0.0708% (0.15   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    VAL  107  11.31 +/- 0.68   0.005% *  0.0708% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   24 - HA    VAL  107  19.27 +/- 1.02   0.000% *  0.3832% (0.84   0.02   0.02) =   0.000%
        T QG2   VAL   24 - HA    VAL  107  18.27 +/- 0.66   0.000% *  0.1144% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  18.93 +/- 0.48   0.000% *  0.0803% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1748 (1.15, 4.48, 62.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 56.6:
    * O T QG2   VAL  107 - HA    VAL  107   2.78 +/- 0.03  99.876% * 98.5100% (1.00   3.31  56.62) = 100.000%  kept
          HG13  ILE  103 - HA    VAL  107   9.68 +/- 0.30   0.057% *  0.4319% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    VAL  107  11.25 +/- 0.55   0.024% *  0.5491% (0.92   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107  10.33 +/- 0.65   0.041% *  0.0918% (0.15   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    VAL  107  18.56 +/- 0.34   0.001% *  0.3367% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  18.93 +/- 0.48   0.001% *  0.0805% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.986, support = 3.13, residual support = 38.4:
    * O T HB3   ASP- 105 - HA    ASP- 105   3.01 +/- 0.03  90.212% * 43.7006% (1.00   3.00  40.39) =  89.773%  kept
          QB    LYS+ 106 - HA    ASP- 105   4.52 +/- 0.23   8.296% * 54.0967% (0.87   4.28  20.85) =  10.220%  kept
          HB    ILE  103 - HA    ASP- 105   6.39 +/- 0.32   1.029% *  0.2888% (0.99   0.02   5.31) =   0.007%
          HG12  ILE  103 - HA    ASP- 105   7.36 +/- 0.33   0.443% *  0.0450% (0.15   0.02   5.31) =   0.000%
          HG    LEU  123 - HA    ASP- 105  15.00 +/- 0.53   0.006% *  0.0994% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ASP- 105  18.37 +/- 0.40   0.002% *  0.2856% (0.98   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ASP- 105  16.30 +/- 0.30   0.004% *  0.1306% (0.45   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ASP- 105  19.33 +/- 0.41   0.001% *  0.2856% (0.98   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ASP- 105  19.65 +/- 0.82   0.001% *  0.2756% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ASP- 105  17.17 +/- 0.53   0.003% *  0.0899% (0.31   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ASP- 105  21.26 +/- 0.40   0.001% *  0.2613% (0.90   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ASP- 105  23.83 +/- 0.55   0.000% *  0.2907% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ASP- 105  18.20 +/- 0.65   0.002% *  0.0510% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ASP- 105  20.28 +/- 0.27   0.001% *  0.0994% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 3.1, residual support = 40.4:
    * O T HB2   ASP- 105 - HB3   ASP- 105   1.75 +/- 0.00  99.983% * 97.1846% (0.95   3.10  40.39) = 100.000%  kept
          HB2   MET   96 - HB3   ASP- 105   8.12 +/- 0.57   0.011% *  0.4017% (0.61   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP- 105  10.03 +/- 0.35   0.003% *  0.1160% (0.18   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   ASP- 105  10.46 +/- 0.26   0.002% *  0.1475% (0.22   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   ASP- 105  13.63 +/- 0.46   0.000% *  0.6492% (0.98   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP- 105  18.36 +/- 0.80   0.000% *  0.4017% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   ASP- 105  20.67 +/- 0.72   0.000% *  0.6609% (1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   ASP- 105  17.77 +/- 0.51   0.000% *  0.1160% (0.18   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP- 105  22.29 +/- 0.52   0.000% *  0.3224% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.78 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 = 0.822, support = 4.96, residual support = 140.2:
    * O   HG2   LYS+ 106 - HG3   LYS+ 106   1.75 +/- 0.00  49.999% * 64.4110% (1.00   4.81 131.61) =  65.360%  kept
      O   HG2   LYS+  33 - HG3   LYS+  33   1.75 +/- 0.00  49.999% * 34.1371% (0.49   5.24 156.51) =  34.640%  kept
          HG2   LYS+ 106 - HG3   LYS+ 102  11.01 +/- 1.17   0.001% *  0.0488% (0.18   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 106  11.11 +/- 0.25   0.001% *  0.0414% (0.15   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 106  18.72 +/- 0.79   0.000% *  0.2657% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  65  12.99 +/- 1.55   0.000% *  0.0197% (0.07   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 106  19.61 +/- 1.25   0.000% *  0.2049% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  33  20.55 +/- 1.04   0.000% *  0.1703% (0.64   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  33  20.83 +/- 1.27   0.000% *  0.1688% (0.63   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+  65  18.92 +/- 1.28   0.000% *  0.0860% (0.32   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 106  18.10 +/- 0.81   0.000% *  0.0469% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 102  17.72 +/- 1.27   0.000% *  0.0373% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  65  21.84 +/- 1.12   0.000% *  0.1125% (0.42   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  33  18.62 +/- 0.87   0.000% *  0.0298% (0.11   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  65  23.29 +/- 1.20   0.000% *  0.1115% (0.42   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 102  23.57 +/- 1.01   0.000% *  0.0484% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  65  20.65 +/- 0.81   0.000% *  0.0174% (0.06   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 102  21.43 +/- 0.99   0.000% *  0.0075% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  33  27.54 +/- 0.38   0.000% *  0.0263% (0.10   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 102  24.82 +/- 0.80   0.000% *  0.0086% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1762 (1.37, 1.37, 25.37 ppm):
    4 diagonal assignments:
    *     HG3   LYS+ 106 - HG3   LYS+ 106  (1.00)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.51)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.36)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.17)  kept
 
    Peak 1770 (1.82, 1.82, 28.60 ppm):
    1 diagonal assignment:
    *     HG12  ILE  103 - HG12  ILE  103  (0.64)  kept
 
    Peak 1771 (1.82, 1.16, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 4.3, residual support = 137.4:
    * O T HG12  ILE  103 - HG13  ILE  103   1.75 +/- 0.00  99.937% * 96.7433% (0.80   4.30 137.42) = 100.000%  kept
          QB    LYS+ 102 - HG13  ILE  103   6.64 +/- 0.31   0.035% *  0.4081% (0.73   0.02  22.53) =   0.000%
          HB    VAL   41 - HG13  ILE  103   7.42 +/- 1.39   0.027% *  0.5188% (0.92   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG13  ILE  103  14.05 +/- 1.00   0.000% *  0.3182% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE  103  16.05 +/- 0.58   0.000% *  0.5607% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE  103  16.33 +/- 0.31   0.000% *  0.5188% (0.92   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE  103  18.77 +/- 0.44   0.000% *  0.3409% (0.61   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE  103  20.26 +/- 0.52   0.000% *  0.2957% (0.53   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE  103  21.06 +/- 0.30   0.000% *  0.2957% (0.53   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 5.53, residual support = 176.0:
    * O   HB2   LYS+  74 - HB3   LYS+  74   1.75 +/- 0.00  99.975% * 98.1285% (0.80   5.53 176.04) = 100.000%  kept
          QG2   THR   26 - HB3   LYS+  74   7.18 +/- 0.56   0.024% *  0.2333% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LYS+  74  13.80 +/- 0.93   0.000% *  0.1988% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB3   LYS+  74  16.61 +/- 0.88   0.000% *  0.3977% (0.90   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   LYS+  74  18.40 +/- 0.99   0.000% *  0.3046% (0.69   0.02   0.02) =   0.000%
          HG    LEU   67 - HB3   LYS+  74  16.01 +/- 0.68   0.000% *  0.1106% (0.25   0.02   0.02) =   0.000%
          HG    LEU   40 - HB3   LYS+  74  15.64 +/- 1.47   0.000% *  0.0777% (0.18   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   LYS+  74  20.80 +/- 0.45   0.000% *  0.3046% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB3   LYS+  74  17.07 +/- 0.83   0.000% *  0.0777% (0.18   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   LYS+  74  21.78 +/- 0.84   0.000% *  0.1664% (0.38   0.02   0.02) =   0.000%
    Distance limit 2.63 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 = 214.8:
    * O T HG12  ILE   89 - HG13  ILE   89   1.75 +/- 0.00  99.997% * 98.7425% (1.00   5.14 214.84) = 100.000%  kept
          HG2   LYS+  74 - HG13  ILE   89  10.87 +/- 0.58   0.002% *  0.1724% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG13  ILE   89  14.57 +/- 0.49   0.000% *  0.3811% (0.99   0.02   0.02) =   0.000%
          HG    LEU   71 - HG13  ILE   89  16.91 +/- 0.74   0.000% *  0.1872% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG13  ILE   89  17.12 +/- 0.73   0.000% *  0.1443% (0.38   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG13  ILE   89  18.81 +/- 0.69   0.000% *  0.1581% (0.41   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG13  ILE   89  17.28 +/- 0.39   0.000% *  0.0959% (0.25   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG13  ILE   89  20.19 +/- 0.25   0.000% *  0.1187% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 23.2:
    * O T HA    ALA   57 - QB    ALA   57   2.13 +/- 0.00  99.944% * 97.3811% (1.00   2.81  23.20) = 100.000%  kept
          HA1   GLY   51 - QB    ALA   57   8.04 +/- 0.13   0.035% *  0.6014% (0.87   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   57   9.19 +/- 0.41   0.016% *  0.1214% (0.18   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   57  12.80 +/- 0.49   0.002% *  0.1544% (0.22   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   57  15.87 +/- 0.49   0.001% *  0.4763% (0.69   0.02   0.02) =   0.000%
          HA    SER  117 - QB    ALA   57  15.36 +/- 0.27   0.001% *  0.2602% (0.38   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA   57  20.21 +/- 0.40   0.000% *  0.5299% (0.76   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA   57  18.80 +/- 0.31   0.000% *  0.2140% (0.31   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   57  18.26 +/- 0.57   0.000% *  0.1544% (0.22   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   57  24.64 +/- 3.42   0.000% *  0.1070% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 9.36:
    * O T HA1   GLY   51 - HA2   GLY   51   1.75 +/- 0.00  99.995% * 96.3542% (1.00   2.81   9.36) = 100.000%  kept
          HA    ALA   57 - HA2   GLY   51   9.76 +/- 0.08   0.003% *  0.5951% (0.87   0.02   0.02) =   0.000%
          HB    THR   77 - HA2   GLY   51  12.72 +/- 0.37   0.001% *  0.3339% (0.49   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA2   GLY   51  14.87 +/- 0.22   0.000% *  0.2820% (0.41   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA2   GLY   51  17.36 +/- 0.43   0.000% *  0.6490% (0.95   0.02   0.02) =   0.000%
        T HA    SER   85 - HA2   GLY   51  20.11 +/- 0.57   0.000% *  0.3339% (0.49   0.02   0.02) =   0.000%
        T HA    ILE  103 - HA2   GLY   51  26.46 +/- 0.22   0.000% *  0.4161% (0.61   0.02   0.02) =   0.000%
        T HA    THR   39 - HA2   GLY   51  30.64 +/- 0.31   0.000% *  0.6725% (0.98   0.02   0.02) =   0.000%
        T HA    SER  117 - HA2   GLY   51  23.14 +/- 0.31   0.000% *  0.1059% (0.15   0.02   0.02) =   0.000%
          HA    MET   11 - HA2   GLY   51  36.23 +/- 4.54   0.000% *  0.2575% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 65.5:
    * O T QG2   VAL   24 - QG1   VAL   24   2.06 +/- 0.02 100.000% * 98.6699% (1.00   2.70  65.53) = 100.000%  kept
          HG    LEU   63 - QG1   VAL   24  20.35 +/- 1.12   0.000% *  0.7049% (0.97   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QG1   VAL   24  16.96 +/- 0.83   0.000% *  0.1821% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   24  24.80 +/- 1.02   0.000% *  0.4430% (0.61   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2010 (4.81, 4.81, 72.92 ppm):
    1 diagonal assignment:
    *     HB    THR   23 - HB    THR   23  (1.00)  kept
 
    Peak 2025 (0.69, 0.69, 16.64 ppm):
    1 diagonal assignment:
    *     QG2   ILE   19 - QG2   ILE   19  (1.00)  kept
 
    Peak 2031 (3.96, 3.96, 45.84 ppm):
    1 diagonal assignment:
    *     HA2   GLY   16 - HA2   GLY   16  (1.00)  kept
 
    Peak 2038 (1.46, 1.46, 26.98 ppm):
    3 diagonal assignments:
    *     HG    LEU   40 - HG    LEU   40  (1.00)  kept
          HG    LEU  115 - HG    LEU  115  (0.35)  kept
          HG    LEU   73 - HG    LEU   73  (0.13)  kept
 
    Peak 2039 (0.98, 0.98, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   40 - QD2   LEU   40  (1.00)  kept
 
    Peak 2040 (0.98, 0.98, 27.63 ppm):
    1 diagonal assignment:
    *     QD1   LEU   67 - QD1   LEU   67  (1.00)  kept
 
    Peak 2045 (1.35, 1.35, 27.95 ppm):
    1 diagonal assignment:
    *     HG    LEU   98 - HG    LEU   98  (1.00)  kept
 
    Peak 2047 (4.99, 4.99, 52.22 ppm):
    2 diagonal assignments:
    *     HA    LEU   67 - HA    LEU   67  (1.00)  kept
          HA    ASP-  76 - HA    ASP-  76  (0.04)  kept
 
    Peak 2050 (0.91, 0.91, 26.66 ppm):
    1 diagonal assignment:
    *     QD1   LEU   40 - QD1   LEU   40  (1.00)  kept
 
    Peak 2051 (1.98, 1.98, 42.52 ppm):
    1 diagonal assignment:
    *     HB2   LEU   67 - HB2   LEU   67  (0.53)  kept
 
    Peak 2052 (1.43, 1.43, 42.52 ppm):
    1 diagonal assignment:
    *     HB3   LEU   67 - HB3   LEU   67  (0.89)  kept
 
    Peak 2055 (1.46, 1.46, 26.01 ppm):
    2 diagonal assignments:
    *     HG    LEU   67 - HG    LEU   67  (1.00)  kept
          QG    LYS+  66 - QG    LYS+  66  (0.03)  kept
 
    Peak 2056 (0.92, 0.92, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   67 - QD2   LEU   67  (1.00)  kept
 
    Peak 2057 (3.84, 3.84, 51.93 ppm):
    1 diagonal assignment:
    *     HD3   PRO   52 - HD3   PRO   52  (1.00)  kept
 
    Peak 2062 (3.33, 3.33, 50.60 ppm):
    2 diagonal assignments:
    *     HD3   PRO   68 - HD3   PRO   68  (1.00)  kept
          HD3   PRO   93 - HD3   PRO   93  (0.18)  kept
 
    Peak 2063 (3.75, 3.75, 50.60 ppm):
    2 diagonal assignments:
    *     HD2   PRO   68 - HD2   PRO   68  (1.00)  kept
          HD3   PRO   58 - HD3   PRO   58  (0.02)  kept
 
    Peak 2067 (3.72, 3.72, 50.93 ppm):
    2 diagonal assignments:
    *     HD3   PRO   58 - HD3   PRO   58  (0.89)  kept
          HD2   PRO   68 - HD2   PRO   68  (0.01)  kept
 
    Peak 2077 (1.98, 1.98, 28.60 ppm):
    1 diagonal assignment:
    *     HG3   PRO   58 - HG3   PRO   58  (1.00)  kept
 
    Peak 2082 (1.36, 1.36, 34.10 ppm):
    1 diagonal assignment:
    *     HB3   PRO   93 - HB3   PRO   93  (1.00)  kept
 
    Peak 2086 (1.68, 1.68, 24.81 ppm):
    1 diagonal assignment:
    *     HG3   PRO   93 - HG3   PRO   93  (1.00)  kept
 
    Peak 2090 (1.98, 1.98, 27.31 ppm):
    1 diagonal assignment:
    *     HG2   PRO   68 - HG2   PRO   68  (0.47)  kept
 
    Peak 2091 (1.86, 1.86, 27.31 ppm):
    2 diagonal assignments:
    *     HG3   PRO   68 - HG3   PRO   68  (1.00)  kept
          HG2   ARG+  54 - HG2   ARG+  54  (0.26)  kept
 
    Peak 2094 (2.02, 2.02, 31.99 ppm):
    1 diagonal assignment:
    *     HB3   PRO   68 - HB3   PRO   68  (1.00)  kept
 
    Peak 2097 (2.12, 2.12, 38.95 ppm):
    1 diagonal assignment:
    *     HG3   GLU- 100 - HG3   GLU- 100  (1.00)  kept
 
    Peak 2111 (1.95, 1.95, 30.44 ppm):
    1 diagonal assignment:
    *     HB3   ARG+  54 - HB3   ARG+  54  (1.00)  kept
 
    Peak 2115 (3.25, 3.25, 43.59 ppm):
    1 diagonal assignment:
    *     HD3   ARG+  54 - HD3   ARG+  54  (1.00)  kept
 
    Peak 2117 (1.86, 1.86, 27.63 ppm):
    2 diagonal assignments:
    *     HG2   ARG+  54 - HG2   ARG+  54  (1.00)  kept
          HG3   PRO   68 - HG3   PRO   68  (0.26)  kept
 
    Peak 2119 (1.60, 1.60, 27.63 ppm):
    1 diagonal assignment:
    *     HG3   ARG+  54 - HG3   ARG+  54  (1.00)  kept
 
    Peak 2122 (2.15, 2.15, 30.04 ppm):
    2 diagonal assignments:
    *     QB    GLU-  36 - QB    GLU-  36  (1.00)  kept
          HB3   GLU-  29 - HB3   GLU-  29  (0.27)  kept
 
    Peak 2133 (2.73, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.06, residual support = 154.2:
    * O T HG2   GLN   30 - HG3   GLN   30   1.75 +/- 0.00  99.990% * 99.0920% (1.00   6.06 154.16) = 100.000%  kept
          HB3   ASN   28 - HG3   GLN   30   8.48 +/- 0.51   0.009% *  0.3021% (0.92   0.02   6.57) =   0.000%
          QE    LYS+ 121 - HB2   LYS+ 111  13.41 +/- 1.05   0.001% *  0.0452% (0.14   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HG3   GLN   30  20.64 +/- 1.16   0.000% *  0.2248% (0.69   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   LYS+ 111  15.35 +/- 0.47   0.000% *  0.0224% (0.07   0.02   0.02) =   0.000%
          HB3   HIS  122 - HG3   GLN   30  21.23 +/- 0.82   0.000% *  0.1116% (0.34   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   PRO   93  17.47 +/- 0.74   0.000% *  0.0175% (0.05   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   PRO   93  16.61 +/- 0.40   0.000% *  0.0087% (0.03   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   PRO   93  19.96 +/- 0.46   0.000% *  0.0255% (0.08   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   PRO   93  22.78 +/- 0.59   0.000% *  0.0235% (0.07   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   LYS+ 111  27.14 +/- 0.38   0.000% *  0.0658% (0.20   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 111  28.79 +/- 0.60   0.000% *  0.0607% (0.19   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2134 (2.03, 2.03, 33.78 ppm):
    3 diagonal assignments:
    *     HG3   GLN   30 - HG3   GLN   30  (1.00)  kept
          HB2   LYS+ 111 - HB2   LYS+ 111  (0.10)  kept
          HB2   PRO   93 - HB2   PRO   93  (0.02)  kept
 
    Peak 2141 (2.92, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.68, residual support = 156.5:
    * O   QE    LYS+  33 - HG2   LYS+  33   2.68 +/- 0.34  96.192% * 96.1865% (1.00   4.68 156.51) =  99.995%  kept
          HB2   ASP-  78 - QG    LYS+  81   5.05 +/- 0.21   2.638% *  0.1273% (0.31   0.02   0.71) =   0.004%
          HB2   ASP-  76 - QG    LYS+  81   6.27 +/- 0.31   0.803% *  0.0438% (0.11   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  33   7.51 +/- 0.66   0.232% *  0.1402% (0.34   0.02   0.69) =   0.000%
          HB2   ASN   28 - HG2   LYS+  33  10.56 +/- 0.86   0.036% *  0.4029% (0.98   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QG    LYS+  81   9.44 +/- 0.21   0.060% *  0.1352% (0.33   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+ 106  13.71 +/- 1.33   0.009% *  0.1712% (0.42   0.02   0.02) =   0.000%
          HB2   ASN   28 - QG    LYS+  81  13.75 +/- 0.53   0.006% *  0.1929% (0.47   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+  33  12.87 +/- 1.49   0.011% *  0.0634% (0.15   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+  33  18.21 +/- 1.71   0.001% *  0.3686% (0.90   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  33  18.45 +/- 0.64   0.001% *  0.2823% (0.69   0.02   0.02) =   0.000%
          QE    LYS+  33 - HG2   LYS+ 106  19.64 +/- 1.33   0.001% *  0.2493% (0.61   0.02   0.02) =   0.000%
          QE    LYS+  33 - QG    LYS+  81  18.44 +/- 1.15   0.001% *  0.1968% (0.48   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+ 106  20.08 +/- 1.35   0.001% *  0.2443% (0.59   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  17.38 +/- 1.17   0.002% *  0.0850% (0.21   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+ 106  21.40 +/- 0.71   0.000% *  0.2236% (0.54   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  33  23.00 +/- 0.62   0.000% *  0.2659% (0.65   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+  33  19.12 +/- 0.57   0.001% *  0.0915% (0.22   0.02   0.02) =   0.000%
          QE    LYS+  65 - QG    LYS+  81  21.93 +/- 1.15   0.000% *  0.1765% (0.43   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+ 106  22.12 +/- 1.03   0.000% *  0.1613% (0.39   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+ 106  19.85 +/- 1.05   0.001% *  0.0555% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  20.56 +/- 0.71   0.001% *  0.0671% (0.16   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+ 106  20.30 +/- 0.80   0.001% *  0.0385% (0.09   0.02   0.02) =   0.000%
          HB2   ASN   69 - QG    LYS+  81  26.57 +/- 0.48   0.000% *  0.0304% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2142 (1.55, 1.55, 25.23 ppm):
    3 diagonal assignments:
    *     HG2   LYS+  33 - HG2   LYS+  33  (1.00)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.46)  kept
          QG    LYS+  81 - QG    LYS+  81  (0.40)  kept
 
    Peak 2144 (1.55, 1.86, 32.27 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.67, residual support = 156.5:
    * O T HG2   LYS+  33 - QB    LYS+  33   2.26 +/- 0.08  99.996% * 98.8282% (1.00   5.67 156.51) = 100.000%  kept
          HG    LEU  104 - QB    LYS+  33  13.91 +/- 0.74   0.002% *  0.1308% (0.38   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  33  16.35 +/- 0.49   0.001% *  0.1833% (0.53   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QB    LYS+  33  18.02 +/- 0.40   0.000% *  0.2910% (0.84   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - QB    LYS+  33  18.58 +/- 1.00   0.000% *  0.2663% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  33  20.53 +/- 0.82   0.000% *  0.1308% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  33  24.78 +/- 0.38   0.000% *  0.1696% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 0.999, support = 4.58, residual support = 209.5:
    *     QE    LYS+  38 - HA    LYS+  38   4.62 +/- 0.12  56.339% * 98.9476% (1.00   4.58 209.82) =  99.866%  kept
          QE    LYS+  99 - HA    LYS+  38   6.05 +/- 1.01  17.291% *  0.3874% (0.90   0.02   0.02) =   0.120%
          QE    LYS+  38 - HA    GLU- 100   6.14 +/- 0.99  15.731% *  0.0261% (0.06   0.02   0.02) =   0.007%
          QE    LYS+  99 - HA    GLU- 100   6.53 +/- 0.49   7.375% *  0.0234% (0.05   0.02  40.23) =   0.003%
          QE    LYS+ 102 - HA    LYS+  38  11.32 +/- 0.91   0.303% *  0.3988% (0.92   0.02   0.02) =   0.002%
          QE    LYS+ 102 - HA    GLU- 100   8.31 +/- 0.74   2.578% *  0.0241% (0.06   0.02   0.02) =   0.001%
          HB2   PHE   97 - HA    LYS+  38  12.95 +/- 0.42   0.117% *  0.0855% (0.20   0.02   0.02) =   0.000%
        T HB3   TRP   27 - HA    LYS+  38  16.42 +/- 0.52   0.028% *  0.0962% (0.22   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    GLU- 100  11.81 +/- 0.22   0.207% *  0.0052% (0.01   0.02   0.02) =   0.000%
        T HB3   TRP   27 - HA    GLU- 100  16.31 +/- 0.62   0.030% *  0.0058% (0.01   0.02   0.02) =   0.000%
    Distance limit 5.25 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 = 0.911, support = 4.68, residual support = 159.3:
    * O T QE    LYS+  65 - HG3   LYS+  65   2.56 +/- 0.58  59.641% * 49.4817% (1.00   4.28 161.19) =  60.721%  kept
      O T QE    LYS+  33 - HG3   LYS+  33   2.82 +/- 0.56  40.178% * 47.5141% (0.77   5.30 156.51) =  39.279%  kept
          HB2   ASN   35 - HG3   LYS+  33   6.95 +/- 0.34   0.148% *  0.1211% (0.52   0.02   0.69) =   0.000%
          HB2   ASN   28 - HG3   LYS+  33  10.87 +/- 1.66   0.018% *  0.1928% (0.83   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  12.00 +/- 1.50   0.007% *  0.1142% (0.49   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  14.33 +/- 0.83   0.002% *  0.0896% (0.39   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  17.60 +/- 1.68   0.001% *  0.2074% (0.90   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  17.05 +/- 1.23   0.001% *  0.1738% (0.75   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  17.17 +/- 1.27   0.001% *  0.1688% (0.73   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  18.84 +/- 1.26   0.000% *  0.1844% (0.80   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  19.04 +/- 1.59   0.000% *  0.1817% (0.79   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  18.89 +/- 1.39   0.000% *  0.1997% (0.86   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  16.83 +/- 0.95   0.001% *  0.0589% (0.25   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  19.02 +/- 1.08   0.000% *  0.0871% (0.38   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.01 +/- 0.92   0.000% *  0.0937% (0.41   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  20.61 +/- 0.87   0.000% *  0.0971% (0.42   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  25.04 +/- 1.04   0.000% *  0.2232% (0.97   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  23.54 +/- 1.18   0.000% *  0.1403% (0.61   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  25.34 +/- 0.68   0.000% *  0.1882% (0.81   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  26.59 +/- 1.18   0.000% *  0.2135% (0.92   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  23.05 +/- 1.27   0.000% *  0.0868% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  23.95 +/- 1.30   0.000% *  0.0750% (0.32   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  22.46 +/- 0.95   0.000% *  0.0364% (0.16   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  28.91 +/- 0.77   0.000% *  0.0706% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 0.02, residual support = 84.5:
    * O T HB2   GLU-  29 - HG3   GLU-  29   2.91 +/- 0.24  99.968% * 16.9500% (1.00   0.02  84.55) =  99.990%  kept
          QG    GLU-  14 - HG3   GLU-  29  14.57 +/- 1.48   0.009% *  5.2316% (0.31   0.02   0.02) =   0.003%
          QG    GLU-  15 - HG3   GLU-  29  15.18 +/- 2.19   0.011% *  3.3544% (0.20   0.02   0.02) =   0.002%
          HB3   PHE   72 - HG3   GLU-  29  16.63 +/- 1.35   0.004% *  6.3615% (0.38   0.02   0.02) =   0.002%
          HB3   ASP-  76 - HG3   GLU-  29  17.55 +/- 0.80   0.003% *  7.5992% (0.45   0.02   0.02) =   0.001%
        T QG    GLN   90 - HG3   GLU-  29  19.01 +/- 1.73   0.002% *  7.5992% (0.45   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG3   GLU-  29  18.72 +/- 0.80   0.002% *  6.3615% (0.38   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HG3   GLU-  29  18.80 +/- 1.30   0.002% *  4.7127% (0.28   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HG3   GLU-  29  24.51 +/- 0.89   0.000% * 11.6431% (0.69   0.02   0.02) =   0.000%
          HG3   MET   92 - HG3   GLU-  29  28.09 +/- 1.14   0.000% * 16.6143% (0.98   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   GLU-  29  29.33 +/- 1.36   0.000% * 13.5725% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 16 structures by 0.51 A, eliminated.
    Peak unassigned.
 
    Peak 2179 (2.43, 2.16, 36.74 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.23, residual support = 84.6:
    * O T HG2   GLU-  29 - HG3   GLU-  29   1.75 +/- 0.00 100.000% * 98.4452% (1.00   4.23  84.55) = 100.000%  kept
          HB3   ASP-  86 - HG3   GLU-  29  15.59 +/- 0.81   0.000% *  0.4496% (0.97   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   GLU-  29  19.04 +/- 0.71   0.000% *  0.3014% (0.65   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  29  17.98 +/- 1.10   0.000% *  0.1037% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  29  27.46 +/- 1.31   0.000% *  0.2826% (0.61   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HG3   GLU-  29  27.83 +/- 1.04   0.000% *  0.3014% (0.65   0.02   0.02) =   0.000%
          HB    VAL  107 - HG3   GLU-  29  24.38 +/- 0.91   0.000% *  0.1162% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 83.5:
    * O T QG    GLN   17 - HB3   GLN   17   2.47 +/- 0.07  99.982% * 97.6147% (0.76   4.31  83.55) = 100.000%  kept
        T HB    VAL   70 - HB3   GLN   17  10.80 +/- 0.56   0.015% *  0.4947% (0.84   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLN   17  17.74 +/- 0.58   0.001% *  0.5870% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLN   17  17.50 +/- 1.09   0.001% *  0.3353% (0.57   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLN   17  19.76 +/- 0.92   0.000% *  0.3831% (0.65   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLN   17  21.72 +/- 1.00   0.000% *  0.3831% (0.65   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLN   17  21.09 +/- 0.41   0.000% *  0.2020% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2193 (1.79, 1.79, 31.50 ppm):
    1 diagonal assignment:
    *     HB3   GLN   17 - HB3   GLN   17  (1.00)  kept
 
    Peak 2195 (4.42, 1.79, 31.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.5:
    * O T HA    GLN   17 - HB3   GLN   17   2.74 +/- 0.30  94.638% * 97.7367% (1.00   4.00  83.55) =  99.984%  kept
          HA    GLU-  15 - HB3   GLN   17   5.11 +/- 0.61   4.581% *  0.2767% (0.57   0.02   0.80) =   0.014%
          HA    SER   13 - HB3   GLN   17   9.77 +/- 1.75   0.765% *  0.2767% (0.57   0.02   0.02) =   0.002%
          HA    VAL   42 - HB3   GLN   17  14.50 +/- 0.35   0.005% *  0.2964% (0.61   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   GLN   17  14.35 +/- 0.70   0.005% *  0.2571% (0.53   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   GLN   17  17.88 +/- 0.96   0.002% *  0.4887% (1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   GLN   17  17.69 +/- 0.50   0.002% *  0.4844% (0.99   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   GLN   17  16.27 +/- 0.51   0.003% *  0.1834% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2196 (2.01, 1.79, 31.50 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.5:
    * O T HB2   GLN   17 - HB3   GLN   17   1.75 +/- 0.00  99.884% * 96.8891% (1.00   4.00  83.55) =  99.999%  kept
        T QB    GLU-  15 - HB3   GLN   17   6.16 +/- 0.61   0.084% *  0.4844% (1.00   0.02   0.80) =   0.000%
        T HB3   PRO   68 - HB3   GLN   17   7.97 +/- 0.63   0.013% *  0.3879% (0.80   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   GLN   17   7.91 +/- 0.84   0.015% *  0.2743% (0.57   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   GLN   17  10.16 +/- 0.66   0.003% *  0.2358% (0.49   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HB3   GLN   17  12.42 +/- 0.94   0.001% *  0.1992% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   GLN   17  13.41 +/- 1.05   0.001% *  0.0848% (0.18   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   GLN   17  20.29 +/- 0.95   0.000% *  0.4583% (0.95   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   GLN   17  21.98 +/- 0.37   0.000% *  0.3134% (0.65   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   17  25.77 +/- 0.49   0.000% *  0.4802% (0.99   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   17  20.85 +/- 0.56   0.000% *  0.0848% (0.18   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   17  23.45 +/- 0.98   0.000% *  0.1079% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.68 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 = 0.862, support = 3.19, residual support = 46.5:
    * O T HB3   GLU-  14 - HA    GLU-  14   2.89 +/- 0.14  64.049% * 65.4443% (1.00   2.96  46.67) =  78.098%  kept
      O T HG3   MET   11 - HA    MET   11   3.30 +/- 0.67  35.770% * 32.8623% (0.37   4.00  46.09) =  21.901%  kept
        T HG3   MET   11 - HA    GLU-  14  10.13 +/- 1.56   0.063% *  0.4187% (0.95   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HA    MET   11  10.32 +/- 2.02   0.115% *  0.1737% (0.39   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  16.73 +/- 1.23   0.002% *  0.2154% (0.49   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  22.27 +/- 1.23   0.000% *  0.3839% (0.87   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  23.15 +/- 0.65   0.000% *  0.1231% (0.28   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  23.14 +/- 2.49   0.000% *  0.0845% (0.19   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  30.04 +/- 3.27   0.000% *  0.1507% (0.34   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  30.22 +/- 1.19   0.000% *  0.0683% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  30.25 +/- 3.49   0.000% *  0.0483% (0.11   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  38.12 +/- 4.32   0.000% *  0.0268% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.56 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 = 61.8:
    * O T HB2   MET   92 - HA    MET   92   2.96 +/- 0.06  99.430% * 97.6040% (1.00   3.87  61.77) =  99.998%  kept
          HB    ILE   56 - HA    MET   92   7.61 +/- 0.48   0.374% *  0.3468% (0.69   0.02   0.02) =   0.001%
          HB3   GLN   90 - HA    MET   92   8.81 +/- 0.53   0.152% *  0.0999% (0.20   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    MET   92  12.79 +/- 1.03   0.021% *  0.1259% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    MET   92  12.54 +/- 0.35   0.018% *  0.1404% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   92  15.73 +/- 0.41   0.005% *  0.4776% (0.95   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   92  21.48 +/- 0.61   0.001% *  0.4873% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    MET   92  30.38 +/- 0.48   0.000% *  0.4218% (0.84   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    MET   92  23.96 +/- 0.56   0.000% *  0.0779% (0.15   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   92  29.05 +/- 1.26   0.000% *  0.0779% (0.15   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   92  36.51 +/- 4.07   0.000% *  0.1404% (0.28   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 = 0.987, support = 4.23, residual support = 58.4:
    * O T HB3   MET   92 - HA    MET   92   2.81 +/- 0.12  93.527% * 52.3582% (1.00   4.19  61.77) =  94.417%  kept
          HG3   PRO   93 - HA    MET   92   4.47 +/- 0.35   6.254% * 46.3004% (0.76   4.85   1.72) =   5.583%  kept
          QG1   ILE   56 - HA    MET   92   7.97 +/- 0.43   0.191% *  0.0494% (0.20   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    MET   92  11.88 +/- 0.64   0.017% *  0.2449% (0.98   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    MET   92  13.81 +/- 0.90   0.008% *  0.2087% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    MET   92  16.32 +/- 0.87   0.003% *  0.2411% (0.97   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    MET   92  22.92 +/- 0.70   0.000% *  0.2001% (0.80   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    MET   92  22.37 +/- 1.37   0.000% *  0.1415% (0.57   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    MET   92  24.24 +/- 0.44   0.000% *  0.2001% (0.80   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    MET   92  28.45 +/- 0.55   0.000% *  0.0556% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 0.999, support = 2.48, residual support = 61.7:
    * O T HG2   MET   92 - HA    MET   92   2.57 +/- 0.25  81.751% * 96.5627% (1.00   2.49  61.77) =  99.884%  kept
          HG2   PRO   52 - HA    MET   92   3.50 +/- 0.55  18.233% *  0.5023% (0.65   0.02   0.02) =   0.116%
          QG    GLU- 114 - HA    MET   92  11.52 +/- 0.58   0.011% *  0.7696% (0.99   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    MET   92  13.79 +/- 0.87   0.004% *  0.7494% (0.97   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    MET   92  26.22 +/- 1.02   0.000% *  0.3481% (0.45   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    MET   92  31.93 +/- 0.72   0.000% *  0.7765% (1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    MET   92  32.62 +/- 3.44   0.000% *  0.2914% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2224 (2.24, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 61.8:
    * O T HG3   MET   92 - HA    MET   92   2.57 +/- 0.40  99.685% * 97.6880% (1.00   3.97  61.77) =  99.999%  kept
          QG    GLN   90 - HA    MET   92   8.02 +/- 0.65   0.258% *  0.1679% (0.34   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    MET   92  11.45 +/- 0.74   0.029% *  0.2787% (0.57   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   92  11.61 +/- 0.43   0.021% *  0.0974% (0.20   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   92  16.01 +/- 0.49   0.002% *  0.3382% (0.69   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    MET   92  17.43 +/- 0.30   0.002% *  0.3942% (0.80   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   92  17.23 +/- 0.81   0.002% *  0.1369% (0.28   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   92  25.87 +/- 0.93   0.000% *  0.4826% (0.98   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   92  28.34 +/- 0.64   0.000% *  0.2397% (0.49   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    MET   92  25.57 +/- 1.17   0.000% *  0.1096% (0.22   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    MET   92  24.27 +/- 1.14   0.000% *  0.0666% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2226 (4.14, 4.14, 45.70 ppm):
    1 diagonal assignment:
    *     HA1   GLY  101 - HA1   GLY  101  (1.00)  kept
 
    Peak 2228 (2.04, 1.87, 37.27 ppm):
    11 chemical-shift based assignments, quality = 0.837, support = 0.0181, residual support = 0.0181:
          HB    VAL  108 - QB    LYS+ 106   6.62 +/- 0.23  83.024% * 12.6890% (0.92   0.02   0.02) =  90.641%  kept
          HB2   PRO   93 - QB    LYS+ 106  11.23 +/- 0.40   3.647% *  7.7823% (0.57   0.02   0.02) =   2.442%
          HB2   LYS+ 111 - QB    LYS+ 106   9.65 +/- 0.28   9.029% *  3.0603% (0.22   0.02   0.02) =   2.377%
          HB    ILE  119 - QB    LYS+ 106  12.74 +/- 0.35   1.678% * 13.7458% (1.00   0.02   0.02) =   1.984%
          HB3   GLU- 100 - QB    LYS+ 106  14.24 +/- 0.43   0.856% * 13.6242% (0.99   0.02   0.02) =   1.004%
        T HB2   GLN   30 - QB    LYS+ 106  14.86 +/- 0.80   0.683% * 13.7458% (1.00   0.02   0.02) =   0.808%
          HG3   GLN   30 - QB    LYS+ 106  16.14 +/- 0.94   0.418% * 11.9235% (0.87   0.02   0.02) =   0.429%
          HB2   ARG+  54 - QB    LYS+ 106  19.04 +/- 0.47   0.150% * 11.9235% (0.87   0.02   0.02) =   0.154%
          HB3   PRO   68 - QB    LYS+ 106  19.10 +/- 0.54   0.148% *  6.6908% (0.49   0.02   0.02) =   0.085%
          QB    GLU-  15 - QB    LYS+ 106  18.07 +/- 1.03   0.219% *  2.4073% (0.18   0.02   0.02) =   0.045%
          HB2   GLN   17 - QB    LYS+ 106  19.14 +/- 0.64   0.147% *  2.4073% (0.18   0.02   0.02) =   0.031%
    Distance limit 3.80 A violated in 20 structures by 2.82 A, eliminated.
    Peak unassigned.
 
    Peak 2229 (9.12, 3.71, 61.73 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 4.64, residual support = 26.7:
      O   HN    ASP-  76 - HA    VAL   75   2.20 +/- 0.03  99.799% * 99.5162% (0.76   4.64  26.68) =  99.999%  kept
          HN    HIS   22 - HA    VAL   75   6.25 +/- 0.25   0.201% *  0.2731% (0.49   0.02   0.02) =   0.001%
          HN    VAL  108 - HA    VAL   75  17.02 +/- 0.40   0.000% *  0.2106% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 5.14, residual support = 83.1:
      O   HN    VAL   75 - HA    VAL   75   2.94 +/- 0.00  99.421% * 99.5914% (0.90   5.14  83.06) =  99.998%  kept
          HN    ASP-  78 - HA    VAL   75   6.94 +/- 0.15   0.579% *  0.4086% (0.95   0.02   0.12) =   0.002%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2231 (4.88, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 0.75, residual support = 17.8:
          HA    PHE   45 - HB    VAL   75   2.98 +/- 0.42  99.960% * 89.9031% (0.45   0.75  17.77) =  99.998%  kept
          HA    VAL   41 - HB    VAL   75  11.44 +/- 0.38   0.038% *  5.1606% (0.97   0.02   0.02) =   0.002%
          HA    HIS  122 - HB    VAL   75  20.17 +/- 0.53   0.001% *  4.9363% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2232 (6.85, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.0, residual support = 17.8:
          QD    PHE   45 - HB    VAL   75   3.23 +/- 0.20  99.995% * 98.4856% (0.87   2.00  17.77) = 100.000%  kept
          HD2   HIS  122 - HB    VAL   75  17.70 +/- 0.57   0.004% *  0.7799% (0.69   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB    VAL   75  22.20 +/- 1.12   0.001% *  0.7345% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2233 (6.72, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.281, support = 0.02, residual support = 1.29:
          HZ2   TRP   27 - HB    VAL   75   7.60 +/- 0.52  96.180% * 19.8169% (0.20   0.02   1.50) =  86.155%  kept
        T HZ    PHE   72 - HB    VAL   75  13.22 +/- 0.66   3.820% * 80.1831% (0.80   0.02   0.02) =  13.845%  kept
    Distance limit 4.51 A violated in 20 structures by 3.04 A, eliminated.
    Peak unassigned.
 
    Peak 2234 (8.54, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.36, residual support = 83.1:
      O   HN    VAL   75 - HB    VAL   75   2.64 +/- 0.37  99.645% * 99.7017% (0.99   4.36  83.06) =  99.999%  kept
          HN    ASP-  78 - HB    VAL   75   7.63 +/- 0.28   0.355% *  0.2983% (0.65   0.02   0.12) =   0.001%
    Distance limit 3.58 A violated in 2 structures by 0.01 A, kept.
 
    Peak 2235 (6.71, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.31, residual support = 17.8:
        T QE    PHE   45 - QG1   VAL   75   1.96 +/- 0.27  99.975% * 96.5153% (0.34   2.31  17.77) = 100.000%  kept
          QD    PHE   72 - QG1   VAL   75   9.44 +/- 0.55   0.021% *  1.2884% (0.53   0.02   0.02) =   0.000%
          HZ    PHE   72 - QG1   VAL   75  12.62 +/- 0.74   0.004% *  2.1963% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2236 (6.86, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 2.96, residual support = 17.8:
          QD    PHE   45 - QG1   VAL   75   2.17 +/- 0.12  99.999% * 99.5615% (1.00   2.96  17.77) = 100.000%  kept
          HD2   HIS  122 - QG1   VAL   75  16.29 +/- 0.81   0.001% *  0.2302% (0.34   0.02   0.02) =   0.000%
          HE22  GLN  116 - QG1   VAL   75  19.92 +/- 1.11   0.000% *  0.2083% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2237 (8.53, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.855, support = 4.9, residual support = 79.2:
          HN    VAL   75 - QG1   VAL   75   3.60 +/- 0.55  90.669% * 67.5524% (0.90   5.14  83.06) =  95.289%  kept
          HN    ASP-  78 - QG1   VAL   75   5.51 +/- 0.27   9.331% * 32.4476% (0.95   2.34   0.12) =   4.711%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2238 (9.12, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 4.97, residual support = 26.7:
          HN    ASP-  76 - QG1   VAL   75   2.85 +/- 0.37  99.424% * 99.1034% (0.41   4.97  26.68) =  99.999%  kept
          HN    HIS   22 - QG1   VAL   75   6.92 +/- 0.40   0.547% *  0.1920% (0.20   0.02   0.02) =   0.001%
          HN    VAL  108 - QG1   VAL   75  12.66 +/- 0.72   0.029% *  0.7046% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2239 (3.09, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 0.75, residual support = 2.5:
          HB2   CYS   21 - QG2   VAL   75   3.04 +/- 0.26  99.786% * 98.7151% (0.76   0.75   2.50) =  99.999%  kept
          QE    LYS+  81 - QG2   VAL   75   8.81 +/- 0.57   0.208% *  0.6032% (0.18   0.02   0.02) =   0.001%
          QE    LYS+ 111 - QG2   VAL   75  15.77 +/- 0.31   0.006% *  0.6817% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    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   3.34 +/- 0.06  52.227% * 63.0260% (0.76   0.75  17.77) =  65.078%  kept
          HZ3   TRP   27 - QG2   VAL   75   3.47 +/- 0.90  47.773% * 36.9740% (0.45   0.75   1.50) =  34.922%  kept
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2241 (6.69, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 2.0, residual support = 17.8:
          QE    PHE   45 - QG2   VAL   75   3.38 +/- 0.06  99.149% * 98.7242% (0.97   2.00  17.77) =  99.992%  kept
          QD    PHE   72 - QG2   VAL   75   7.67 +/- 0.26   0.755% *  1.0207% (1.00   0.02   0.02) =   0.008%
          HZ    PHE   72 - QG2   VAL   75  10.82 +/- 0.37   0.096% *  0.2551% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2242 (7.33, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.797, support = 0.624, residual support = 1.49:
          HE3   TRP   27 - QG2   VAL   75   3.42 +/- 0.56  85.017% * 86.3514% (0.80   0.63   1.50) =  99.545%  kept
          HN    THR   23 - QG2   VAL   75   5.39 +/- 0.35   8.437% *  3.3211% (0.97   0.02   0.02) =   0.380%
          HD2   HIS   22 - QG2   VAL   75   5.74 +/- 0.97   6.085% *  0.6810% (0.20   0.02   0.02) =   0.056%
          QE    PHE   95 - QG2   VAL   75   8.76 +/- 0.31   0.377% *  3.3731% (0.98   0.02   0.02) =   0.017%
          HN    LEU   67 - QG2   VAL   75  13.60 +/- 0.27   0.026% *  2.2262% (0.65   0.02   0.02) =   0.001%
          HD1   TRP   49 - QG2   VAL   75  12.63 +/- 0.27   0.044% *  1.0621% (0.31   0.02   0.02) =   0.001%
          QD    PHE   55 - QG2   VAL   75  15.39 +/- 0.26   0.013% *  2.9851% (0.87   0.02   0.02) =   0.001%
    Distance limit 3.91 A violated in 4 structures by 0.05 A, kept.
 
    Peak 2243 (8.53, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.92, residual support = 83.1:
          HN    VAL   75 - QG2   VAL   75   2.71 +/- 0.11  99.801% * 99.5731% (0.90   4.92  83.06) =  99.999%  kept
          HN    ASP-  78 - QG2   VAL   75   7.70 +/- 0.13   0.199% *  0.4269% (0.95   0.02   0.12) =   0.001%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2244 (9.15, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.6, support = 0.0198, residual support = 0.0198:
          HN    VAL   43 - QG2   VAL   75   6.04 +/- 0.19  99.030% * 48.3894% (0.61   0.02   0.02) =  98.966%  kept
          HN    VAL  108 - QG2   VAL   75  13.10 +/- 0.40   0.970% * 51.6106% (0.65   0.02   0.02) =   1.034%
    Distance limit 4.40 A violated in 20 structures by 1.64 A, eliminated.
    Peak unassigned.
 
    Peak 2245 (9.13, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.152, support = 3.72, residual support = 36.2:
      O   HN    ASP-  76 - HB3   ASP-  76   3.16 +/- 0.31  99.997% * 97.1259% (0.15   3.72  36.18) = 100.000%  kept
          HN    VAL  108 - HB3   ASP-  76  18.61 +/- 0.46   0.003% *  2.8741% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2246 (9.12, 2.90, 42.19 ppm):
    9 chemical-shift based assignments, quality = 0.411, support = 3.7, residual support = 36.2:
      O   HN    ASP-  76 - HB2   ASP-  76   2.38 +/- 0.25  99.873% * 98.1931% (0.41   3.70  36.18) = 100.000%  kept
          HN    HIS   22 - HB2   ASP-  76   7.50 +/- 0.44   0.117% *  0.2553% (0.20   0.02   0.02) =   0.000%
          HN    VAL  108 - HB2   ASP-  76  18.97 +/- 0.42   0.000% *  0.9367% (0.73   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  33  12.22 +/- 1.40   0.007% *  0.0381% (0.03   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  66  17.04 +/- 0.84   0.001% *  0.1947% (0.15   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  33  16.00 +/- 1.21   0.001% *  0.0791% (0.06   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  66  21.43 +/- 0.41   0.000% *  0.1103% (0.09   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  33  23.40 +/- 1.09   0.000% *  0.1397% (0.11   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  66  23.26 +/- 0.42   0.000% *  0.0531% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 0.381, support = 0.0196, residual support = 0.0196:
          HN    LEU   80 - HA    THR   77   6.53 +/- 0.67  95.503% * 19.6829% (0.38   0.02   0.02) =  92.932%  kept
          HN    CYS   53 - HA    THR   77  11.78 +/- 0.47   3.326% * 31.8091% (0.61   0.02   0.02) =   5.230%  kept
          HN    THR   26 - HA    THR   77  14.04 +/- 0.41   1.039% * 33.9265% (0.65   0.02   0.02) =   1.743%
          HN    ALA   34 - HA    THR   77  19.88 +/- 0.37   0.132% * 14.5815% (0.28   0.02   0.02) =   0.095%
    Distance limit 3.98 A violated in 20 structures by 2.51 A, eliminated.
    Peak unassigned.
 
    Peak 2248 (8.54, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 4.75, residual support = 29.2:
      O   HN    ASP-  78 - HA    THR   77   3.50 +/- 0.03  98.934% * 99.3597% (0.65   4.76  29.16) =  99.993%  kept
          HN    VAL   75 - HA    THR   77   7.45 +/- 0.15   1.066% *  0.6403% (0.99   0.02   0.34) =   0.007%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2249 (9.29, 3.58, 65.17 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.01, residual support = 37.7:
      O   HN    THR   77 - HA    THR   77   2.76 +/- 0.01 100.000% *100.0000% (0.53   4.01  37.69) = 100.000%  kept
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2250 (6.87, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 2.63, residual support = 10.4:
        T QD    PHE   45 - QG2   THR   77   2.65 +/- 0.24 100.000% *100.0000% (0.80   2.63  10.42) = 100.000%  kept
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2251 (8.47, 1.30, 23.34 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.7, residual support = 9.53:
          HN    THR   46 - QG2   THR   77   2.95 +/- 0.18  91.748% * 98.2149% (0.87   3.70   9.54) =  99.961%  kept
          HN    MET   92 - QG2   THR   77   4.60 +/- 0.47   8.158% *  0.4200% (0.69   0.02   0.02) =   0.038%
          HN    LYS+  74 - QG2   THR   77   9.56 +/- 0.17   0.082% *  0.5993% (0.98   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QG2   THR   77  13.22 +/- 0.40   0.012% *  0.3217% (0.53   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   77  28.49 +/- 3.52   0.000% *  0.4440% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2252 (9.28, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.01, residual support = 37.7:
          HN    THR   77 - QG2   THR   77   2.03 +/- 0.12 100.000% *100.0000% (0.87   4.01  37.69) = 100.000%  kept
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2253 (4.64, 1.48, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.612, support = 1.5, residual support = 8.15:
          HA    ALA   20 - HB2   LYS+  74   2.92 +/- 0.35  99.899% * 98.6222% (0.61   1.50   8.15) =  99.999%  kept
          HA    LEU   71 - HB2   LYS+  74   9.60 +/- 0.31   0.101% *  1.3778% (0.64   0.02   0.02) =   0.001%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2254 (4.64, 1.41, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 2.96, residual support = 8.15:
          HA    ALA   20 - HB3   LYS+  74   2.31 +/- 0.26  99.989% * 99.2963% (0.76   2.96   8.15) = 100.000%  kept
          HA    LEU   71 - HB3   LYS+  74  10.93 +/- 0.30   0.011% *  0.7037% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2255 (4.94, 1.41, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 6.07, residual support = 176.0:
      O   HA    LYS+  74 - HB3   LYS+  74   3.00 +/- 0.02  99.981% * 99.6597% (0.80   6.07 176.04) = 100.000%  kept
          HA    THR   94 - HB3   LYS+  74  13.63 +/- 0.36   0.012% *  0.2489% (0.61   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   LYS+  74  14.85 +/- 0.60   0.007% *  0.0914% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 126.7:
      O T HA    PRO   93 - HB2   PRO   93   2.30 +/- 0.00 100.000% * 99.9739% (0.49   5.98 126.70) = 100.000%  kept
        T HA    PRO   93 - HG3   GLN   30  17.90 +/- 0.68   0.000% *  0.0261% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 0.512, support = 1.44, residual support = 1.37:
          HB3   MET   92 - HB3   PRO   93   5.30 +/- 0.24   8.339% * 89.1920% (0.41   1.81   1.72) =  79.106%  kept
          QG1   ILE   56 - HB3   PRO   93   3.53 +/- 0.08  91.234% *  2.1480% (0.90   0.02   0.02) =  20.843%  kept
          QD    LYS+ 106 - HB3   PRO   93  11.53 +/- 0.94   0.093% *  1.8304% (0.76   0.02   0.02) =   0.018%
          HB    ILE   89 - HB3   PRO   93  10.01 +/- 0.16   0.178% *  0.8989% (0.38   0.02   0.02) =   0.017%
        T HD2   LYS+ 111 - HB3   PRO   93  10.85 +/- 0.32   0.111% *  0.7392% (0.31   0.02   0.02) =   0.009%
        T HB2   LEU   73 - HB3   PRO   93  13.10 +/- 0.61   0.037% *  1.3560% (0.57   0.02   0.02) =   0.005%
          QD    LYS+  99 - HB3   PRO   93  18.83 +/- 0.61   0.004% *  1.9178% (0.80   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HB3   PRO   93  19.07 +/- 0.51   0.004% *  1.9178% (0.80   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2258 (2.07, 1.36, 34.10 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.98, residual support = 126.7:
      O   HB2   PRO   93 - HB3   PRO   93   1.75 +/- 0.00  99.889% * 98.1714% (0.80   5.98 126.70) = 100.000%  kept
          HG3   PRO   52 - HB3   PRO   93   5.57 +/- 0.25   0.101% *  0.2818% (0.69   0.02   4.02) =   0.000%
          HG2   PRO   58 - HB3   PRO   93   9.86 +/- 0.15   0.003% *  0.2818% (0.69   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   PRO   93   9.54 +/- 0.28   0.004% *  0.1687% (0.41   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB3   PRO   93  10.39 +/- 0.49   0.002% *  0.1997% (0.49   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   PRO   93  13.25 +/- 0.35   0.001% *  0.0913% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   PRO   93  18.55 +/- 0.47   0.000% *  0.0913% (0.22   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   93  25.09 +/- 1.23   0.000% *  0.3135% (0.76   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   93  32.46 +/- 3.21   0.000% *  0.3285% (0.80   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   PRO   93  24.87 +/- 0.23   0.000% *  0.0719% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 5.09, residual support = 126.7:
      O   HA    PRO   93 - HB3   PRO   93   2.73 +/- 0.00 100.000% *100.0000% (0.92   5.09 126.70) = 100.000%  kept
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2260 (6.87, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HB3   PRO   93   6.89 +/- 0.27 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 4.50 A violated in 20 structures by 2.39 A, eliminated.
    Peak unassigned.
 
    Peak 2263 (0.74, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 1.98, residual support = 14.8:
          QD1   ILE   19 - HG2   GLN   30   3.78 +/- 0.13  97.513% * 96.0321% (0.95   1.98  14.83) =  99.983%  kept
          QG1   VAL   43 - HG2   GLN   30   8.19 +/- 1.03   1.164% *  0.7041% (0.69   0.02   0.02) =   0.009%
          QG1   VAL   41 - HG2   GLN   30   8.18 +/- 0.46   1.033% *  0.4990% (0.49   0.02   0.02) =   0.006%
          QG2   VAL   18 - HG2   GLN   30  10.49 +/- 0.18   0.220% *  0.9193% (0.90   0.02   0.02) =   0.002%
          QG2   THR   46 - HG2   GLN   30  13.43 +/- 0.33   0.051% *  0.9893% (0.97   0.02   0.02) =   0.001%
          QD2   LEU  104 - HG2   GLN   30  15.87 +/- 0.78   0.019% *  0.8562% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2264 (1.52, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 0.75, residual support = 5.67:
        T QG2   THR   26 - HG2   GLN   30   2.98 +/- 0.34  99.921% * 80.7705% (0.61   0.75   5.67) =  99.999%  kept
          HB2   LYS+  74 - HG2   GLN   30  10.48 +/- 0.44   0.060% *  1.2113% (0.34   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HG2   GLN   30  14.02 +/- 0.39   0.011% *  2.0105% (0.57   0.02   0.02) =   0.000%
          HG    LEU  104 - HG2   GLN   30  17.21 +/- 0.89   0.004% *  2.5787% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   GLN   30  18.68 +/- 1.05   0.002% *  2.4393% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HG2   GLN   30  20.02 +/- 0.50   0.001% *  3.5433% (1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG2   GLN   30  23.22 +/- 1.13   0.001% *  2.7139% (0.76   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HG2   GLN   30  23.24 +/- 0.84   0.001% *  2.5787% (0.73   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG2   GLN   30  25.68 +/- 0.37   0.000% *  2.1539% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2265 (0.36, 1.19, 32.81 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 6.74, residual support = 233.6:
      O T HG2   LYS+ 112 - HB3   LYS+ 112   2.93 +/- 0.04  99.979% * 99.4189% (0.95   6.74 233.59) = 100.000%  kept
          QG1   VAL   42 - HB3   LYS+ 112  13.44 +/- 0.26   0.011% *  0.3012% (0.97   0.02   0.02) =   0.000%
          QB    ALA   47 - HB3   LYS+ 112  13.63 +/- 0.54   0.010% *  0.2799% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 6.29, residual support = 233.6:
      O T HA    LYS+ 112 - HB3   LYS+ 112   2.66 +/- 0.02  99.995% * 99.5442% (0.73   6.29 233.59) = 100.000%  kept
          HB2   HIS  122 - HB3   LYS+ 112  15.34 +/- 0.49   0.003% *  0.1953% (0.45   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   LYS+ 112  16.51 +/- 0.36   0.002% *  0.0970% (0.22   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB3   LYS+ 112  28.22 +/- 0.79   0.000% *  0.1635% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2267 (8.49, 1.19, 32.81 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.7, residual support = 233.6:
      O   HN    LYS+ 112 - HB3   LYS+ 112   3.45 +/- 0.02  99.981% * 99.1367% (0.97   5.70 233.59) = 100.000%  kept
          HN    MET   92 - HB3   LYS+ 112  15.60 +/- 0.34   0.012% *  0.0802% (0.22   0.02   0.02) =   0.000%
          HN    THR   46 - HB3   LYS+ 112  17.75 +/- 0.29   0.005% *  0.1352% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   LYS+ 112  22.32 +/- 0.38   0.001% *  0.2885% (0.80   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+ 112  38.79 +/- 3.35   0.000% *  0.3595% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2268 (8.50, 1.37, 32.81 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 5.71, residual support = 233.6:
      O   HN    LYS+ 112 - HB2   LYS+ 112   2.16 +/- 0.03  99.982% * 98.7186% (0.84   5.71 233.59) = 100.000%  kept
          HN    LYS+  74 - HB    VAL   42   9.24 +/- 0.56   0.017% *  0.1078% (0.26   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB    VAL   42  17.98 +/- 0.21   0.000% *  0.2916% (0.70   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB    VAL   42  17.90 +/- 0.34   0.000% *  0.1191% (0.29   0.02   0.02) =   0.000%
          HN    MET   11 - HB    VAL   42  24.19 +/- 2.40   0.000% *  0.2259% (0.55   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB2   LYS+ 112  21.53 +/- 0.34   0.000% *  0.1413% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   LYS+ 112  22.37 +/- 0.33   0.000% *  0.1278% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+ 112  39.64 +/- 3.43   0.000% *  0.2679% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2269 (5.28, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.63, residual support = 5.58:
          HA    PHE   72 - HB    VAL   42   3.29 +/- 0.49  99.254% * 99.1749% (0.85   2.63   5.58) =  99.999%  kept
          HA    MET   96 - HB    VAL   42   7.94 +/- 0.19   0.734% *  0.1714% (0.19   0.02   0.02) =   0.001%
          HA    PHE   72 - HB2   LYS+ 112  20.62 +/- 0.20   0.002% *  0.5327% (0.60   0.02   0.02) =   0.000%
          HA    MET   96 - HB2   LYS+ 112  16.25 +/- 0.27   0.009% *  0.1210% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2270 (8.95, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.59, residual support = 88.3:
      O   HN    VAL   42 - HB    VAL   42   2.45 +/- 0.10  97.948% * 98.5464% (0.80   5.59  88.32) =  99.993%  kept
          HN    LEU   73 - HB    VAL   42   4.86 +/- 0.48   1.935% *  0.3528% (0.80   0.02   1.86) =   0.007%
          HN    ILE   19 - HB    VAL   42   7.80 +/- 0.53   0.100% *  0.1062% (0.24   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB    VAL   42  10.86 +/- 0.36   0.014% *  0.2472% (0.56   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB2   LYS+ 112  14.54 +/- 0.22   0.002% *  0.1745% (0.40   0.02   0.02) =   0.000%
          HN    LEU   73 - HB2   LYS+ 112  20.60 +/- 0.23   0.000% *  0.2489% (0.57   0.02   0.02) =   0.000%
          HN    VAL   42 - HB2   LYS+ 112  20.91 +/- 0.25   0.000% *  0.2489% (0.57   0.02   0.02) =   0.000%
          HN    ILE   19 - HB2   LYS+ 112  23.15 +/- 0.23   0.000% *  0.0750% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2271 (7.30, 1.39, 32.90 ppm):
    10 chemical-shift based assignments, quality = 0.422, support = 0.0189, residual support = 0.101:
          QD    PHE   60 - HB    VAL   42   6.60 +/- 0.51  20.331% * 18.0612% (0.66   0.02   0.02) =  56.676%  kept
          QD    PHE   55 - HB2   LYS+ 112   5.14 +/- 0.74  74.588% *  3.3007% (0.12   0.02   0.24) =  37.998%  kept
          HN    LYS+  66 - HB    VAL   42   9.03 +/- 0.28   3.014% *  6.5709% (0.24   0.02   0.02) =   3.057%
          HE3   TRP   27 - HB    VAL   42  10.00 +/- 0.50   1.609% *  5.8930% (0.22   0.02   0.02) =   1.463%
          QD    PHE   60 - HB2   LYS+ 112  13.07 +/- 0.21   0.313% * 12.7462% (0.47   0.02   0.02) =   0.616%
          HN    LYS+  81 - HB    VAL   42  19.62 +/- 0.43   0.027% * 23.4241% (0.86   0.02   0.02) =   0.098%
          QD    PHE   55 - HB    VAL   42  17.33 +/- 0.44   0.054% *  4.6770% (0.17   0.02   0.02) =   0.039%
          HN    LYS+  66 - HB2   LYS+ 112  17.63 +/- 0.36   0.053% *  4.6372% (0.17   0.02   0.02) =   0.038%
          HN    LYS+  81 - HB2   LYS+ 112  26.44 +/- 0.34   0.005% * 16.5309% (0.61   0.02   0.02) =   0.012%
          HE3   TRP   27 - HB2   LYS+ 112  24.66 +/- 0.41   0.007% *  4.1588% (0.15   0.02   0.02) =   0.004%
    Distance limit 4.41 A violated in 16 structures by 0.52 A, eliminated.
    Peak unassigned.
 
    Peak 2272 (6.71, 1.39, 32.90 ppm):
    6 chemical-shift based assignments, quality = 0.551, support = 0.901, residual support = 5.58:
        T QD    PHE   72 - HB    VAL   42   2.86 +/- 0.42  83.946% * 30.6372% (0.46   0.83   5.58) =  70.593%  kept
          HZ    PHE   72 - HB    VAL   42   3.89 +/- 0.30  15.957% * 67.1395% (0.78   1.07   5.58) =  29.406%  kept
          QE    PHE   45 - HB    VAL   42   9.31 +/- 0.25   0.090% *  0.4782% (0.30   0.02   0.02) =   0.001%
          HZ    PHE   72 - HB2   LYS+ 112  17.22 +/- 0.43   0.002% *  0.8872% (0.55   0.02   0.02) =   0.000%
        T QD    PHE   72 - HB2   LYS+ 112  16.60 +/- 0.21   0.003% *  0.5205% (0.32   0.02   0.02) =   0.000%
          QE    PHE   45 - HB2   LYS+ 112  17.41 +/- 0.27   0.002% *  0.3375% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 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   2.41 +/- 0.13  99.985% * 95.0954% (0.14   2.86  15.44) =  99.999%  kept
          HN    LEU   40 - HA1   GLY  101  10.49 +/- 0.48   0.015% *  4.9046% (1.00   0.02   0.02) =   0.001%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2274 (8.87, 3.52, 45.70 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 2.86, residual support = 15.4:
      O   HN    GLY  101 - HA2   GLY  101   2.91 +/- 0.15  99.969% * 98.5294% (0.38   2.86  15.44) = 100.000%  kept
          HN    LEU   40 - HA2   GLY  101  11.16 +/- 0.43   0.031% *  1.4706% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 1.7, residual support = 5.12:
      O   HN    SER   13 - HA    ALA   12   2.48 +/- 0.18  99.995% * 99.8122% (0.84   1.70   5.12) = 100.000%  kept
          HN    VAL   18 - HA    ALA   12  15.21 +/- 2.07   0.005% *  0.1878% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2276 (8.38, 4.31, 53.06 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.45, residual support = 12.2:
      O   HN    ALA   12 - HA    ALA   12   2.80 +/- 0.15  99.999% * 98.8826% (0.85   2.45  12.20) = 100.000%  kept
          HN    ASN   35 - HA    ALA   12  20.45 +/- 2.66   0.001% *  0.4994% (0.53   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ALA   12  27.50 +/- 1.65   0.000% *  0.3090% (0.33   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ALA   12  33.80 +/- 1.81   0.000% *  0.3090% (0.33   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 2.31, residual support = 12.2:
      O   HN    ALA   12 - QB    ALA   12   2.63 +/- 0.32  99.996% * 97.7068% (0.46   2.31  12.20) = 100.000%  kept
          HN    ASN   35 - QB    ALA   12  17.09 +/- 2.39   0.003% *  1.6026% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    ALA   12  20.70 +/- 1.77   0.001% *  0.3040% (0.17   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    ALA   12  22.13 +/- 1.97   0.000% *  0.3865% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 3.4, residual support = 12.7:
      O   HN    ALA   12 - HA    MET   11   2.55 +/- 0.15  99.791% * 97.5213% (0.65   3.40  12.70) = 100.000%  kept
          HN    ALA   12 - HA    GLU-  14   8.04 +/- 1.05   0.207% *  0.2252% (0.25   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    GLU-  14  16.73 +/- 1.48   0.002% *  0.0775% (0.09   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    MET   11  22.32 +/- 3.43   0.000% *  0.1975% (0.22   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU-  14  22.46 +/- 1.16   0.000% *  0.2788% (0.31   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    MET   11  29.90 +/- 2.83   0.000% *  0.7104% (0.80   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    GLU-  14  28.77 +/- 0.93   0.000% *  0.2788% (0.31   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    MET   11  36.30 +/- 3.07   0.000% *  0.7104% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2279 (8.38, 1.92, 30.22 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.56, residual support = 12.7:
          HN    ALA   12 - HG3   MET   11   3.78 +/- 0.23  95.580% * 98.7232% (0.97   3.56  12.70) =  99.991%  kept
          HN    ALA   12 - HB3   GLU-  14   8.26 +/- 1.77   4.387% *  0.1967% (0.34   0.02   0.02) =   0.009%
          HN    ASN   35 - HB3   GLU-  14  15.63 +/- 1.47   0.025% *  0.1154% (0.20   0.02   0.02) =   0.000%
          HN    ASN   35 - HG3   MET   11  22.29 +/- 2.99   0.004% *  0.3250% (0.57   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   GLU-  14  22.33 +/- 1.16   0.003% *  0.0838% (0.15   0.02   0.02) =   0.000%
          HN    PHE   97 - HG3   MET   11  29.78 +/- 2.25   0.000% *  0.2360% (0.41   0.02   0.02) =   0.000%
          HN    LEU  115 - HB3   GLU-  14  29.30 +/- 1.06   0.000% *  0.0838% (0.15   0.02   0.02) =   0.000%
          HN    LEU  115 - HG3   MET   11  36.12 +/- 2.74   0.000% *  0.2360% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2280 (8.32, 4.41, 58.75 ppm):
    18 chemical-shift based assignments, quality = 0.923, support = 2.1, residual support = 6.63:
      O   HN    GLU-  14 - HA    SER   13   2.40 +/- 0.17  99.976% * 92.1493% (0.92   2.10   6.63) = 100.000%  kept
          HN    GLN   30 - HA    SER   37  12.62 +/- 0.24   0.005% *  0.4074% (0.43   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   37  12.43 +/- 0.40   0.006% *  0.3694% (0.39   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   13  17.11 +/- 2.58   0.002% *  0.7623% (0.80   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    SER   37  14.63 +/- 1.35   0.002% *  0.4696% (0.49   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   46  14.41 +/- 0.48   0.002% *  0.4184% (0.44   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   46  16.20 +/- 0.81   0.001% *  0.4614% (0.48   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   37  14.48 +/- 0.23   0.002% *  0.1570% (0.16   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   13  19.03 +/- 2.70   0.001% *  0.2938% (0.31   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    THR   46  18.58 +/- 0.26   0.001% *  0.4614% (0.48   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   37  18.50 +/- 2.05   0.001% *  0.4074% (0.43   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   13  21.87 +/- 1.48   0.000% *  0.7623% (0.80   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   46  20.28 +/- 0.20   0.000% *  0.4184% (0.44   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   13  23.74 +/- 1.78   0.000% *  0.6913% (0.73   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    THR   46  19.72 +/- 0.37   0.000% *  0.1778% (0.19   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    THR   46  24.39 +/- 1.50   0.000% *  0.5319% (0.56   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   37  24.69 +/- 0.39   0.000% *  0.3694% (0.39   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   13  30.33 +/- 2.67   0.000% *  0.6913% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 0.584, support = 0.0181, residual support = 0.0181:
          HN    ILE   19 - HA    SER   13  13.16 +/- 2.12  18.129% * 21.8157% (0.99   0.02   0.02) =  35.769%  kept
          HN    LEU   73 - HA    THR   46  11.50 +/- 0.19  30.010% *  7.5418% (0.34   0.02   0.02) =  20.469%  kept
          HN    ILE   19 - HA    THR   46  13.46 +/- 0.30  11.511% * 13.2032% (0.60   0.02   0.02) =  13.745%  kept
          HN    VAL   42 - HA    SER   37  12.63 +/- 0.32  16.990% *  6.6588% (0.30   0.02   0.02) =  10.232%  kept
          HN    ILE   19 - HA    SER   37  15.49 +/- 0.62   5.089% * 11.6574% (0.53   0.02   0.02) =   5.365%  kept
          HN    VAL   42 - HA    THR   46  14.49 +/- 0.12   7.401% *  7.5418% (0.34   0.02   0.02) =   5.048%  kept
          HN    LEU   73 - HA    SER   13  16.87 +/- 1.99   2.998% * 12.4613% (0.57   0.02   0.02) =   3.379%
          HN    LEU   73 - HA    SER   37  15.25 +/- 0.48   5.487% *  6.6588% (0.30   0.02   0.02) =   3.304%
          HN    VAL   42 - HA    SER   13  17.49 +/- 1.71   2.386% * 12.4613% (0.57   0.02   0.02) =   2.689%
    Distance limit 3.78 A violated in 20 structures by 5.68 A, eliminated.
    Peak unassigned.
 
    Peak 2282 (7.91, 3.88, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.828, support = 3.42, residual support = 25.6:
      O   HN    SER   37 - HB3   SER   37   2.71 +/- 0.30  99.970% * 97.3450% (0.83   3.42  25.62) = 100.000%  kept
          HN    SER   37 - QB    SER   13  15.04 +/- 2.08   0.008% *  0.4353% (0.63   0.02   0.02) =   0.000%
          HN    CYS   21 - QB    SER   13  15.68 +/- 2.70   0.018% *  0.1648% (0.24   0.02   0.02) =   0.000%
          HN    CYS   21 - HB3   SER   37  16.39 +/- 0.56   0.002% *  0.2154% (0.31   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   SER   37  23.06 +/- 0.80   0.000% *  0.4794% (0.70   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   SER   37  23.38 +/- 0.55   0.000% *  0.5626% (0.82   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    SER   13  27.38 +/- 2.62   0.000% *  0.4305% (0.63   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    SER   13  24.92 +/- 1.11   0.000% *  0.3669% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 0.657, support = 0.018, residual support = 0.018:
          HA    PHE   59 - HB3   GLU-  14  22.79 +/- 1.09  38.064% * 22.8936% (0.69   0.02   0.02) =  48.093%  kept
          HA    TRP   87 - HB3   GLU-  14  26.77 +/- 1.38  14.746% * 33.2545% (1.00   0.02   0.02) =  27.063%  kept
          HA    LEU  104 - HB3   GLU-  14  25.08 +/- 1.27  21.740% * 12.5086% (0.38   0.02   0.02) =  15.008%  kept
          HA    PHE   59 - HG3   MET   11  29.04 +/- 3.06  10.787% *  8.1279% (0.24   0.02   0.02) =   4.839%
          HA    TRP   87 - HG3   MET   11  34.59 +/- 3.08   3.596% * 11.8063% (0.35   0.02   0.02) =   2.343%
          HA    LEU  104 - HG3   MET   11  31.68 +/- 2.10   5.522% *  4.4409% (0.13   0.02   0.02) =   1.353%
          HA    ASP- 113 - HB3   GLU-  14  33.02 +/- 1.07   4.056% *  5.1424% (0.15   0.02   0.02) =   1.151%
          HA    ASP- 113 - HG3   MET   11  39.49 +/- 2.76   1.490% *  1.8257% (0.05   0.02   0.02) =   0.150%
    Distance limit 4.01 A violated in 20 structures by 16.32 A, eliminated.
    Peak unassigned.
 
    Peak 2285 (8.33, 1.92, 30.50 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 3.89, residual support = 46.7:
      O   HN    GLU-  14 - HB3   GLU-  14   3.12 +/- 0.30  99.697% * 97.8918% (0.92   3.89  46.67) =  99.999%  kept
          HN    GLU-  14 - HG3   MET   11   8.99 +/- 1.35   0.283% *  0.1788% (0.33   0.02   0.02) =   0.001%
          HN    GLN   30 - HB3   GLU-  14  14.22 +/- 1.55   0.014% *  0.1861% (0.34   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  14  20.08 +/- 0.94   0.002% *  0.5407% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  14  21.50 +/- 1.30   0.001% *  0.5455% (1.00   0.02   0.02) =   0.000%
          HN    GLN   30 - HG3   MET   11  21.79 +/- 3.15   0.002% *  0.0661% (0.12   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   MET   11  26.62 +/- 2.25   0.000% *  0.1920% (0.35   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   MET   11  28.28 +/- 2.23   0.000% *  0.1937% (0.36   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  14  27.41 +/- 1.73   0.000% *  0.1517% (0.28   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   MET   11  35.19 +/- 3.49   0.000% *  0.0538% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 46.7:
      O   HN    GLU-  14 - HB2   GLU-  14   3.02 +/- 0.62  99.519% * 96.9408% (0.49   3.87  46.67) =  99.999%  kept
          HN    GLU-  14 - HG2   MET   11   9.02 +/- 1.43   0.457% *  0.1878% (0.18   0.02   0.02) =   0.001%
          HN    ASN   35 - HB2   GLU-  14  15.77 +/- 1.63   0.014% *  0.4237% (0.41   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  14  20.36 +/- 0.79   0.002% *  0.6667% (0.65   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  14  21.70 +/- 1.50   0.002% *  0.7483% (0.73   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   11  22.10 +/- 3.40   0.003% *  0.1587% (0.15   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ARG+  54  19.67 +/- 0.98   0.002% *  0.0980% (0.10   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   MET   11  28.12 +/- 2.58   0.000% *  0.2802% (0.27   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   MET   11  26.57 +/- 2.08   0.000% *  0.2497% (0.24   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ARG+  54  28.28 +/- 0.38   0.000% *  0.1100% (0.11   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ARG+  54  28.84 +/- 1.34   0.000% *  0.0738% (0.07   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ARG+  54  31.11 +/- 0.55   0.000% *  0.0623% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2289 (8.65, 4.41, 56.54 ppm):
    9 chemical-shift based assignments, quality = 0.965, support = 2.59, residual support = 7.65:
      O   HN    GLY   16 - HA    GLU-  15   2.66 +/- 0.12  99.987% * 96.9557% (0.97   2.59   7.65) = 100.000%  kept
          HN    GLY   16 - HA    LEU   40  12.70 +/- 0.74   0.009% *  0.6052% (0.78   0.02   0.02) =   0.000%
          HN    SER  117 - HA    LEU   40  18.90 +/- 0.30   0.001% *  0.5021% (0.65   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    ASN   35  16.09 +/- 0.62   0.002% *  0.1387% (0.18   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LEU   40  22.73 +/- 0.42   0.000% *  0.4308% (0.56   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLU-  15  24.87 +/- 0.94   0.000% *  0.5327% (0.69   0.02   0.02) =   0.000%
          HN    SER  117 - HA    GLU-  15  25.82 +/- 0.62   0.000% *  0.6209% (0.80   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ASN   35  21.65 +/- 0.46   0.000% *  0.0988% (0.13   0.02   0.02) =   0.000%
          HN    SER  117 - HA    ASN   35  25.55 +/- 0.37   0.000% *  0.1151% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2290 (8.81, 4.13, 56.27 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.7, residual support = 90.6:
      O   HN    ASN   28 - HA    ASN   28   2.74 +/- 0.01  99.999% * 99.6248% (0.84   5.70  90.62) = 100.000%  kept
          HN    ASN   69 - HA    ASN   28  19.75 +/- 0.34   0.001% *  0.3752% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2291 (1.36, 4.13, 56.27 ppm):
    16 chemical-shift based assignments, quality = 0.375, support = 2.54, residual support = 17.7:
        T HB2   LEU   31 - HA    ASN   28   2.76 +/- 0.19  99.642% * 84.3295% (0.38   2.54  17.67) =  99.997%  kept
          HB3   LEU   73 - HA    ASN   28   8.91 +/- 0.62   0.132% *  0.6644% (0.38   0.02   0.12) =   0.001%
          HG3   LYS+  33 - HA    ASN   28   9.37 +/- 1.46   0.117% *  0.4414% (0.25   0.02   0.02) =   0.001%
        T QB    ALA   84 - HA    ASN   28  11.24 +/- 0.35   0.026% *  1.7664% (1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    ASN   28  11.37 +/- 0.97   0.025% *  1.7085% (0.97   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    ASN   28  10.54 +/- 0.59   0.041% *  0.9314% (0.53   0.02   0.95) =   0.000%
          HB    VAL   42 - HA    ASN   28  14.05 +/- 0.46   0.007% *  0.5464% (0.31   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ASN   28  16.47 +/- 0.64   0.003% *  1.3529% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ASN   28  16.30 +/- 1.45   0.004% *  0.7278% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASN   28  17.31 +/- 0.91   0.002% *  1.0737% (0.61   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ASN   28  20.45 +/- 0.58   0.001% *  1.7703% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ASN   28  20.10 +/- 0.68   0.001% *  1.1452% (0.65   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ASN   28  25.64 +/- 0.68   0.000% *  1.5877% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ASN   28  23.28 +/- 1.00   0.000% *  0.5464% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASN   28  25.74 +/- 0.64   0.000% *  0.5464% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASN   28  29.60 +/- 0.54   0.000% *  0.8617% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2292 (0.79, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 3.0, residual support = 17.7:
          HG    LEU   31 - HA    ASN   28   2.63 +/- 0.61  99.493% * 97.1720% (0.61   3.00  17.67) =  99.996%  kept
          QD2   LEU   73 - HA    ASN   28   8.08 +/- 0.38   0.505% *  0.8162% (0.76   0.02   0.12) =   0.004%
          QD1   ILE   56 - HA    ASN   28  20.91 +/- 0.41   0.001% *  1.0308% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    ASN   28  23.51 +/- 0.74   0.001% *  0.8162% (0.76   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    ASN   28  25.64 +/- 0.54   0.000% *  0.1648% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 2 structures by 0.01 A, kept.
 
    Peak 2293 (8.65, 3.96, 45.84 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 2.6, residual support = 5.2:
      O   HN    GLY   16 - HA2   GLY   16   2.85 +/- 0.18 100.000% * 98.8274% (0.97   2.60   5.20) = 100.000%  kept
          HN    SER  117 - HA2   GLY   16  24.01 +/- 0.68   0.000% *  0.6312% (0.80   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY   16  27.65 +/- 0.68   0.000% *  0.5414% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 3.49, residual support = 18.5:
      O   HN    GLN   17 - HA2   GLY   16   3.46 +/- 0.03  99.441% * 97.5903% (0.65   3.49  18.50) =  99.998%  kept
          HD21  ASN   69 - HA2   GLY   16   8.82 +/- 1.08   0.526% *  0.3875% (0.45   0.02   0.02) =   0.002%
          HN    ALA   61 - HA2   GLY   16  13.57 +/- 0.45   0.028% *  0.4207% (0.49   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA2   GLY   16  23.61 +/- 0.60   0.001% *  0.6921% (0.80   0.02   0.02) =   0.000%
          HN    TRP   27 - HA2   GLY   16  19.42 +/- 0.46   0.003% *  0.1334% (0.15   0.02   0.02) =   0.000%
          HN    TRP   87 - HA2   GLY   16  26.41 +/- 0.54   0.001% *  0.4207% (0.49   0.02   0.02) =   0.000%
          HN    ALA   91 - HA2   GLY   16  27.33 +/- 0.69   0.000% *  0.3553% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 3.49, residual support = 18.5:
      O   HN    GLN   17 - HA1   GLY   16   3.22 +/- 0.04  99.310% * 97.5903% (0.65   3.49  18.50) =  99.997%  kept
          HD21  ASN   69 - HA1   GLY   16   7.70 +/- 0.83   0.661% *  0.3875% (0.45   0.02   0.02) =   0.003%
          HN    ALA   61 - HA1   GLY   16  12.93 +/- 0.53   0.025% *  0.4207% (0.49   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA1   GLY   16  22.46 +/- 0.75   0.001% *  0.6921% (0.80   0.02   0.02) =   0.000%
          HN    TRP   27 - HA1   GLY   16  18.84 +/- 0.47   0.003% *  0.1334% (0.15   0.02   0.02) =   0.000%
          HN    TRP   87 - HA1   GLY   16  25.41 +/- 0.60   0.000% *  0.4207% (0.49   0.02   0.02) =   0.000%
          HN    ALA   91 - HA1   GLY   16  26.44 +/- 0.72   0.000% *  0.3553% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2296 (8.64, 4.04, 45.84 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 2.6, residual support = 5.2:
      O   HN    GLY   16 - HA1   GLY   16   2.36 +/- 0.18 100.000% * 97.5105% (0.57   2.60   5.20) = 100.000%  kept
          HN    SER   82 - HA1   GLY   16  26.96 +/- 0.72   0.000% *  1.3228% (1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HA1   GLY   16  22.88 +/- 0.70   0.000% *  0.4522% (0.34   0.02   0.02) =   0.000%
          HN    ILE  103 - HA1   GLY   16  22.49 +/- 0.78   0.000% *  0.2624% (0.20   0.02   0.02) =   0.000%
          HN    GLN   90 - HA1   GLY   16  24.89 +/- 1.00   0.000% *  0.4522% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2297 (1.80, 2.21, 33.80 ppm):
    18 chemical-shift based assignments, quality = 0.584, support = 4.31, residual support = 83.5:
      O T HB3   GLN   17 - QG    GLN   17   2.47 +/- 0.07  99.022% * 96.7276% (0.58   4.31  83.55) =  99.998%  kept
          QB    LYS+  65 - QG    GLN   17   7.60 +/- 1.20   0.203% *  0.5664% (0.74   0.02   0.02) =   0.001%
          HB2   LEU   71 - HB    VAL   70   6.41 +/- 0.20   0.334% *  0.1178% (0.15   0.02  31.50) =   0.000%
          HB2   LEU   71 - QG    GLN   17   9.00 +/- 1.09   0.058% *  0.5753% (0.75   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB    VAL   70   7.01 +/- 0.45   0.204% *  0.0494% (0.06   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB    VAL   70   8.82 +/- 0.47   0.050% *  0.1160% (0.15   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG    GLN   17  10.51 +/- 0.78   0.019% *  0.2413% (0.31   0.02   0.02) =   0.000%
          HB    VAL   41 - HB    VAL   70   8.64 +/- 0.43   0.058% *  0.0300% (0.04   0.02   2.72) =   0.000%
        T HB3   GLN   17 - HB    VAL   70  10.80 +/- 0.56   0.015% *  0.0919% (0.12   0.02   0.02) =   0.000%
          HB    VAL   41 - QG    GLN   17  14.32 +/- 1.55   0.004% *  0.1463% (0.19   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB    VAL   70  10.18 +/- 0.81   0.025% *  0.0185% (0.02   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB    VAL   70  13.77 +/- 0.72   0.004% *  0.1078% (0.14   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    GLN   17  18.41 +/- 0.54   0.001% *  0.4031% (0.52   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG    GLN   17  19.97 +/- 0.77   0.000% *  0.5263% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    GLN   17  18.10 +/- 1.11   0.001% *  0.0906% (0.12   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   70  18.07 +/- 0.67   0.001% *  0.0826% (0.11   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB    VAL   70  14.21 +/- 0.80   0.003% *  0.0185% (0.02   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    GLN   17  20.15 +/- 1.15   0.000% *  0.0906% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2298 (7.70, 2.21, 33.80 ppm):
    14 chemical-shift based assignments, quality = 0.494, support = 5.63, residual support = 83.5:
          HN    GLN   17 - QG    GLN   17   2.82 +/- 0.55  96.880% * 98.1186% (0.49   5.63  83.55) =  99.998%  kept
          HD21  ASN   69 - HB    VAL   70   5.53 +/- 0.56   2.693% *  0.0495% (0.07   0.02  28.01) =   0.001%
          HN    GLN   17 - HB    VAL   70   8.32 +/- 0.57   0.263% *  0.0714% (0.10   0.02   0.02) =   0.000%
          HN    ALA   61 - QG    GLN   17  10.78 +/- 0.74   0.070% *  0.2623% (0.37   0.02   0.02) =   0.000%
          HD21  ASN   69 - QG    GLN   17  11.05 +/- 0.62   0.049% *  0.2416% (0.34   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    VAL   70  11.84 +/- 0.46   0.029% *  0.0537% (0.08   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG    GLN   17  19.89 +/- 0.81   0.001% *  0.4315% (0.61   0.02   0.02) =   0.000%
          HN    TRP   27 - QG    GLN   17  14.97 +/- 1.56   0.005% *  0.0831% (0.12   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    VAL   70  16.38 +/- 0.45   0.004% *  0.0884% (0.13   0.02   0.02) =   0.000%
          HN    TRP   87 - QG    GLN   17  21.63 +/- 0.93   0.001% *  0.2623% (0.37   0.02   0.02) =   0.000%
          HN    ALA   91 - QG    GLN   17  22.05 +/- 0.52   0.001% *  0.2215% (0.31   0.02   0.02) =   0.000%
          HN    TRP   87 - HB    VAL   70  20.35 +/- 0.36   0.001% *  0.0537% (0.08   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    VAL   70  17.06 +/- 0.38   0.003% *  0.0170% (0.02   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    VAL   70  22.03 +/- 0.61   0.001% *  0.0454% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2299 (8.27, 2.21, 33.80 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 5.81, residual support = 51.2:
          HN    VAL   18 - QG    GLN   17   3.56 +/- 0.17  99.051% * 99.7451% (0.76   5.81  51.20) =  99.999%  kept
          HN    SER   13 - QG    GLN   17   9.17 +/- 1.62   0.616% *  0.0766% (0.17   0.02   0.02) =   0.000%
          HN    VAL   18 - HB    VAL   70   9.48 +/- 0.55   0.301% *  0.0703% (0.16   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG    GLN   17  16.03 +/- 1.65   0.013% *  0.0766% (0.17   0.02   0.02) =   0.000%
          HN    SER   13 - HB    VAL   70  16.73 +/- 1.25   0.011% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB    VAL   70  17.40 +/- 0.25   0.008% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 5.29, residual support = 83.5:
      O   HN    GLN   17 - HB3   GLN   17   3.08 +/- 0.29  99.929% * 98.3980% (0.65   5.29  83.55) = 100.000%  kept
          HN    ALA   61 - HB3   GLN   17  12.04 +/- 0.58   0.037% *  0.2797% (0.49   0.02   0.02) =   0.000%
          HD21  ASN   69 - HB3   GLN   17  12.38 +/- 0.57   0.029% *  0.2576% (0.45   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   GLN   17  16.79 +/- 0.74   0.004% *  0.0887% (0.15   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   GLN   17  22.28 +/- 0.62   0.001% *  0.4601% (0.80   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   GLN   17  24.24 +/- 0.59   0.000% *  0.2797% (0.49   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   GLN   17  24.71 +/- 0.64   0.000% *  0.2362% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2301 (8.27, 1.79, 31.50 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 5.47, residual support = 51.2:
          HN    VAL   18 - HB3   GLN   17   3.71 +/- 0.05  99.190% * 99.8372% (1.00   5.47  51.20) =  99.999%  kept
          HN    SER   13 - HB3   GLN   17  10.31 +/- 1.74   0.802% *  0.0814% (0.22   0.02   0.02) =   0.001%
          HN    GLU-  29 - HB3   GLN   17  17.97 +/- 0.80   0.008% *  0.0814% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2302 (1.80, 4.42, 54.38 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 4.0, residual support = 83.5:
      O T HB3   GLN   17 - HA    GLN   17   2.74 +/- 0.30  99.092% * 97.1413% (0.76   4.00  83.55) =  99.994%  kept
          QB    LYS+  65 - HA    GLN   17   6.51 +/- 0.47   0.751% *  0.6134% (0.97   0.02   0.02) =   0.005%
          HB2   LEU   71 - HA    GLN   17   9.35 +/- 0.44   0.079% *  0.6230% (0.98   0.02   0.02) =   0.001%
          QB    LYS+  66 - HA    GLN   17   9.47 +/- 0.27   0.070% *  0.2613% (0.41   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    GLN   17  14.72 +/- 0.99   0.005% *  0.1585% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    GLN   17  18.72 +/- 0.65   0.001% *  0.4366% (0.69   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    GLN   17  20.93 +/- 0.58   0.001% *  0.5700% (0.90   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    GLN   17  18.57 +/- 0.86   0.001% *  0.0981% (0.15   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    GLN   17  20.90 +/- 0.82   0.001% *  0.0981% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 4.0, residual support = 83.5:
      O T HB3   GLN   17 - HB2   GLN   17   1.75 +/- 0.00  99.679% * 86.6210% (0.18   4.00  83.55) =  99.997%  kept
          QB    LYS+  65 - HB3   PRO   68   5.93 +/- 0.15   0.067% *  1.3722% (0.59   0.02   0.02) =   0.001%
          HB2   LEU   71 - QB    GLU-  15   6.85 +/- 1.49   0.113% *  0.6235% (0.27   0.02   0.02) =   0.001%
        T HB3   GLN   17 - QB    GLU-  15   6.16 +/- 0.61   0.084% *  0.4861% (0.21   0.02   0.80) =   0.000%
        T HB3   GLN   17 - HB3   PRO   68   7.97 +/- 0.63   0.013% *  1.0867% (0.46   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   PRO   68   7.16 +/- 0.05   0.021% *  0.5846% (0.25   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   GLN   17   8.25 +/- 0.54   0.010% *  0.5469% (0.23   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB3   PRO   68  10.88 +/- 0.54   0.002% *  1.3937% (0.59   0.02   0.02) =   0.000%
          QB    LYS+  65 - QB    GLU-  15  10.05 +/- 0.55   0.003% *  0.6139% (0.26   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   GLN   17  10.21 +/- 0.45   0.003% *  0.5555% (0.24   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    GLU-  15  11.23 +/- 0.64   0.002% *  0.2615% (0.11   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   GLN   17  11.58 +/- 0.29   0.001% *  0.2330% (0.10   0.02   0.02) =   0.000%
          HB    VAL   41 - QB    GLU-  15  12.76 +/- 1.77   0.001% *  0.1586% (0.07   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   PRO   68  15.82 +/- 0.74   0.000% *  0.3546% (0.15   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QB    GLU-  15  17.80 +/- 1.31   0.000% *  0.5705% (0.24   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   PRO   68  20.32 +/- 0.58   0.000% *  1.2752% (0.54   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   GLN   17  15.76 +/- 1.06   0.000% *  0.1413% (0.06   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   PRO   68  21.92 +/- 0.42   0.000% *  0.9767% (0.42   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    GLU-  15  15.45 +/- 1.51   0.000% *  0.0981% (0.04   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   68  17.28 +/- 0.64   0.000% *  0.2194% (0.09   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   GLN   17  19.24 +/- 0.65   0.000% *  0.3893% (0.17   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   GLN   17  22.23 +/- 0.56   0.000% *  0.5083% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   93 - QB    GLU-  15  21.87 +/- 0.69   0.000% *  0.4369% (0.19   0.02   0.02) =   0.000%
          HG12  ILE  103 - QB    GLU-  15  19.19 +/- 1.44   0.000% *  0.0981% (0.04   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   PRO   68  21.83 +/- 0.75   0.000% *  0.2194% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   GLN   17  20.25 +/- 0.83   0.000% *  0.0874% (0.04   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   GLN   17  22.02 +/- 0.81   0.000% *  0.0874% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.69 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 = 33.9:
      O   HA    PRO   68 - HB3   PRO   68   2.30 +/- 0.00  99.257% * 99.4311% (0.19   2.96  33.91) =  99.998%  kept
          HA    PRO   68 - QB    GLU-  15   5.62 +/- 0.81   0.682% *  0.3008% (0.08   0.02   0.02) =   0.002%
          HA    PRO   68 - HB2   GLN   17   7.97 +/- 0.38   0.061% *  0.2680% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2305 (8.27, 2.01, 31.84 ppm):
    9 chemical-shift based assignments, quality = 0.241, support = 5.47, residual support = 51.2:
          HN    VAL   18 - HB2   GLN   17   2.35 +/- 0.08  99.660% * 97.9601% (0.24   5.47  51.20) =  99.999%  kept
          HN    VAL   18 - HB3   PRO   68   8.84 +/- 0.39   0.036% *  0.8982% (0.61   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    GLU-  15   7.96 +/- 0.38   0.072% *  0.4018% (0.27   0.02   0.02) =   0.000%
          HN    SER   13 - QB    GLU-  15   7.05 +/- 0.95   0.204% *  0.0897% (0.06   0.02   0.02) =   0.000%
          HN    SER   13 - HB2   GLN   17  11.60 +/- 1.82   0.021% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    SER   13 - HB3   PRO   68  13.04 +/- 1.46   0.005% *  0.2004% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  15  15.07 +/- 0.77   0.002% *  0.0897% (0.06   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   GLN   17  17.69 +/- 0.29   0.001% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   PRO   68  21.98 +/- 0.36   0.000% *  0.2004% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2306 (8.28, 4.42, 54.38 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 5.47, residual support = 51.2:
      O   HN    VAL   18 - HA    GLN   17   2.55 +/- 0.04  99.999% * 99.7203% (0.84   5.47  51.20) = 100.000%  kept
          HN    GLU-  29 - HA    GLN   17  18.32 +/- 0.34   0.001% *  0.2124% (0.49   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   17  24.39 +/- 0.41   0.000% *  0.0673% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 0.683, support = 0.0199, residual support = 1.22:
        T QB    ALA   64 - HA    GLN   17   3.95 +/- 0.12  99.185% * 34.7258% (0.69   0.02   1.22) =  99.421%  kept
        T QG1   VAL   42 - HA    GLN   17   8.91 +/- 0.40   0.795% * 24.6072% (0.49   0.02   0.02) =   0.565%
        T QB    ALA   47 - HA    GLN   17  17.33 +/- 0.43   0.014% * 30.6625% (0.61   0.02   0.02) =   0.013%
          HG2   LYS+ 112 - HA    GLN   17  20.33 +/- 0.40   0.005% * 10.0045% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.40 A violated in 20 structures by 0.56 A, eliminated.
    Peak unassigned.
 
    Peak 2308 (8.28, 1.96, 32.56 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.99, residual support = 78.0:
      O   HN    VAL   18 - HB    VAL   18   2.51 +/- 0.38  99.997% * 99.6934% (0.84   4.99  77.97) = 100.000%  kept
          HN    GLU-  29 - HB    VAL   18  16.36 +/- 0.55   0.002% *  0.2328% (0.49   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB    VAL   18  20.42 +/- 0.56   0.001% *  0.0738% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2309 (2.84, 4.00, 62.64 ppm):
    3 chemical-shift based assignments, quality = 0.486, support = 0.749, residual support = 3.52:
        T HB2   PHE   72 - HA    VAL   18   2.79 +/- 0.56  97.740% * 93.8177% (0.49   0.75   3.52) =  99.876%  kept
          HA    ALA   64 - HA    VAL   18   5.76 +/- 0.17   2.257% *  5.0380% (0.98   0.02   7.96) =   0.124%
        T HB3   ASN   35 - HA    VAL   18  17.20 +/- 0.48   0.003% *  1.1443% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2310 (8.94, 4.00, 62.64 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.85, residual support = 22.0:
      O   HN    ILE   19 - HA    VAL   18   2.24 +/- 0.03  99.271% * 98.8384% (0.73   4.85  22.00) =  99.996%  kept
          HN    LEU   73 - HA    VAL   18   5.23 +/- 0.29   0.664% *  0.5183% (0.92   0.02   0.02) =   0.004%
          HN    VAL   42 - HA    VAL   18   7.65 +/- 0.29   0.065% *  0.5183% (0.92   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   18  17.55 +/- 0.26   0.000% *  0.1250% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 0.459, support = 0.0169, residual support = 0.0169:
          HG    LEU   73 - QG1   VAL   18   5.71 +/- 0.45  53.295% *  8.7275% (0.61   0.02   0.02) =  72.608%  kept
          QB    ALA   61 - QG1   VAL   18   6.13 +/- 0.26  34.981% *  2.2202% (0.15   0.02   0.02) =  12.124%  kept
          HG    LEU   67 - QG1   VAL   18   9.98 +/- 0.67   2.015% * 14.3572% (1.00   0.02   0.02) =   4.516%
          HG    LEU   40 - QG1   VAL   18  10.50 +/- 1.39   1.748% * 14.2618% (0.99   0.02   0.02) =   3.891%
          HB3   LEU   67 - QG1   VAL   18   8.86 +/- 0.56   4.282% *  3.5880% (0.25   0.02   0.02) =   2.398%
          QG    LYS+  66 - QG1   VAL   18  10.34 +/- 0.42   1.566% *  5.9156% (0.41   0.02   0.02) =   1.446%
          HB3   LEU   40 - QG1   VAL   18  11.16 +/- 0.83   1.077% *  6.4511% (0.45   0.02   0.02) =   1.085%
          HB3   LEU  115 - QG1   VAL   18  12.56 +/- 0.59   0.481% * 14.2618% (0.99   0.02   0.02) =   1.070%
          HG    LEU  115 - QG1   VAL   18  13.51 +/- 0.90   0.343% *  9.8840% (0.69   0.02   0.02) =   0.529%
          QB    ALA  120 - QG1   VAL   18  15.05 +/- 0.37   0.158% *  9.8840% (0.69   0.02   0.02) =   0.244%
          HG2   LYS+ 102 - QG1   VAL   18  18.14 +/- 0.88   0.054% * 10.4487% (0.73   0.02   0.02) =   0.088%
    Distance limit 3.30 A violated in 20 structures by 1.92 A, eliminated.
    Peak unassigned.
 
    Peak 2312 (1.29, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.487, support = 2.96, residual support = 9.31:
        T QB    ALA   34 - QG1   VAL   41   1.87 +/- 0.09  99.919% * 94.2977% (0.49   2.96   9.31) = 100.000%  kept
          QG2   ILE   56 - QG2   VAL   18   7.83 +/- 0.40   0.020% *  0.3091% (0.24   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG1   VAL   41   7.93 +/- 0.38   0.018% *  0.2295% (0.18   0.02   0.02) =   0.000%
        T QB    ALA   34 - QG2   VAL   18   9.57 +/- 0.51   0.006% *  0.4874% (0.37   0.02   0.02) =   0.000%
          QG2   THR   77 - QG2   VAL   18  10.30 +/- 0.37   0.004% *  0.6073% (0.46   0.02   0.02) =   0.000%
          QG2   THR   23 - QG2   VAL   18  12.09 +/- 0.32   0.001% *  0.8364% (0.64   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   VAL   41  13.04 +/- 0.39   0.001% *  1.0944% (0.84   0.02   0.02) =   0.000%
          QG2   THR   77 - QG1   VAL   41  12.74 +/- 0.25   0.001% *  0.7947% (0.61   0.02   0.02) =   0.000%
          QB    ALA   34 - QD2   LEU  104   8.05 +/- 0.55   0.018% *  0.0343% (0.03   0.02   0.02) =   0.000%
          QB    ALA   88 - QG1   VAL   41  12.40 +/- 0.30   0.001% *  0.3267% (0.25   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QG1   VAL   41  13.04 +/- 0.26   0.001% *  0.4044% (0.31   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   18  15.00 +/- 0.67   0.000% *  0.2497% (0.19   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD2   LEU  104   9.87 +/- 0.84   0.006% *  0.0123% (0.01   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG2   VAL   18  17.88 +/- 0.76   0.000% *  0.1754% (0.13   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU  104  12.99 +/- 0.53   0.001% *  0.0175% (0.01   0.02   0.02) =   0.000%
          QG2   THR   77 - QD2   LEU  104  15.44 +/- 0.40   0.000% *  0.0427% (0.03   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD2   LEU  104  14.22 +/- 0.32   0.001% *  0.0217% (0.02   0.02   0.02) =   0.000%
          QG2   THR   23 - QD2   LEU  104  18.73 +/- 0.66   0.000% *  0.0588% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2313 (1.82, 0.76, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.835, support = 3.6, residual support = 70.4:
      O T HB    VAL   41 - QG1   VAL   41   2.12 +/- 0.01  89.879% * 92.9412% (0.84   3.60  70.40) =  99.992%  kept
          QB    LYS+ 102 - QD2   LEU  104   3.45 +/- 0.70   8.462% *  0.0278% (0.04   0.02   0.17) =   0.003%
          HB2   LEU   71 - QG1   VAL   41   5.29 +/- 0.51   0.442% *  0.4249% (0.69   0.02   0.02) =   0.002%
          QB    LYS+  65 - QG2   VAL   18   6.14 +/- 0.38   0.170% *  0.3433% (0.55   0.02   0.02) =   0.001%
          HB3   GLN   17 - QG2   VAL   18   5.15 +/- 0.50   0.530% *  0.0936% (0.15   0.02  51.20) =   0.001%
          HG12  ILE  103 - QG1   VAL   41   7.01 +/- 0.78   0.101% *  0.4249% (0.69   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QG1   VAL   41   7.04 +/- 0.57   0.076% *  0.5167% (0.84   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   18   8.11 +/- 0.64   0.033% *  0.4563% (0.74   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG2   VAL   18   7.93 +/- 0.67   0.039% *  0.3248% (0.52   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  104   6.30 +/- 0.87   0.175% *  0.0228% (0.04   0.02  36.29) =   0.000%
        T HB    VAL   41 - QG2   VAL   18  10.95 +/- 1.12   0.006% *  0.3949% (0.64   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD2   LEU  104   7.54 +/- 0.98   0.068% *  0.0278% (0.04   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG1   VAL   41  11.97 +/- 0.28   0.003% *  0.5970% (0.97   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   18  12.02 +/- 0.70   0.003% *  0.4634% (0.75   0.02   0.02) =   0.000%
          QB    LYS+  65 - QG1   VAL   41  13.51 +/- 0.17   0.001% *  0.4492% (0.73   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG2   VAL   18  15.27 +/- 1.15   0.001% *  0.3248% (0.52   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG1   VAL   41  16.83 +/- 0.35   0.000% *  0.6064% (0.98   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG2   VAL   18  16.37 +/- 0.90   0.000% *  0.3949% (0.64   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  13.47 +/- 0.50   0.001% *  0.1224% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   18  15.03 +/- 0.39   0.001% *  0.1944% (0.31   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   18  15.39 +/- 0.87   0.001% *  0.1944% (0.31   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU  104  12.16 +/- 0.80   0.003% *  0.0321% (0.05   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD2   LEU  104  11.87 +/- 0.57   0.003% *  0.0228% (0.04   0.02   0.02) =   0.000%
          HG    LEU  123 - QG1   VAL   41  17.71 +/- 0.50   0.000% *  0.2543% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG1   VAL   41  20.89 +/- 0.25   0.000% *  0.2543% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU  104  15.37 +/- 0.63   0.001% *  0.0241% (0.04   0.02   0.02) =   0.000%
          HG    LEU  123 - QD2   LEU  104  14.82 +/- 0.72   0.001% *  0.0137% (0.02   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU  104  17.73 +/- 0.32   0.000% *  0.0326% (0.05   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  18.78 +/- 0.65   0.000% *  0.0066% (0.01   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  104  21.87 +/- 0.30   0.000% *  0.0137% (0.02   0.02   0.02) =   0.000%
    Distance limit 2.92 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 = 0.873, support = 0.0193, residual support = 2.93:
          HB2   LYS+  74 - QG2   VAL   18   4.28 +/- 0.35  58.821% * 10.4543% (0.99   0.02   0.99) =  75.191%  kept
          HB3   LEU   40 - QG1   VAL   41   5.14 +/- 0.12  19.822% *  4.8891% (0.46   0.02  18.47) =  11.850%  kept
          HG2   LYS+  65 - QG2   VAL   18   5.98 +/- 0.79   9.682% *  8.0608% (0.76   0.02   0.02) =   9.543%  kept
          QG2   THR   26 - QG2   VAL   18   8.83 +/- 0.44   0.797% *  8.8101% (0.84   0.02   0.02) =   0.859%
          HB3   LEU   40 - QD2   LEU  104   6.52 +/- 0.79   6.187% *  0.9830% (0.09   0.02   0.02) =   0.744%
          QG2   THR   26 - QG1   VAL   41   8.85 +/- 0.44   0.799% *  6.7329% (0.64   0.02   0.02) =   0.658%
          HD2   LYS+ 121 - QD2   LEU  104   7.79 +/- 0.91   2.077% *  1.1133% (0.11   0.02   0.02) =   0.283%
          QD    LYS+  66 - QG2   VAL   18   9.41 +/- 0.74   0.624% *  3.2555% (0.31   0.02   0.02) =   0.248%
          HB3   LEU   40 - QG2   VAL   18  11.05 +/- 1.17   0.272% *  6.3975% (0.61   0.02   0.02) =   0.212%
          HB2   LYS+  74 - QG1   VAL   41  11.59 +/- 0.37   0.150% *  7.9895% (0.76   0.02   0.02) =   0.147%
          HD2   LYS+ 121 - QG1   VAL   41  12.40 +/- 0.90   0.107% *  5.5370% (0.52   0.02   0.02) =   0.072%
          HG    LEU  115 - QG2   VAL   18  12.83 +/- 1.04   0.099% *  3.9586% (0.38   0.02   0.02) =   0.048%
          HD2   LYS+ 121 - QG2   VAL   18  15.06 +/- 1.09   0.036% *  7.2452% (0.69   0.02   0.02) =   0.032%
          QB    ALA  120 - QG2   VAL   18  14.09 +/- 0.61   0.050% *  3.9586% (0.38   0.02   0.02) =   0.024%
          HG2   LYS+  65 - QG1   VAL   41  15.20 +/- 0.57   0.030% *  6.1603% (0.58   0.02   0.02) =   0.022%
          QD    LYS+  66 - QG1   VAL   41  13.86 +/- 0.48   0.053% *  2.4879% (0.24   0.02   0.02) =   0.016%
          QB    ALA  120 - QD2   LEU  104  11.22 +/- 0.51   0.190% *  0.6083% (0.06   0.02   0.02) =   0.014%
          QB    ALA  120 - QG1   VAL   41  14.66 +/- 0.20   0.036% *  3.0253% (0.29   0.02   0.02) =   0.013%
          HG    LEU  115 - QG1   VAL   41  16.42 +/- 1.16   0.021% *  3.0253% (0.29   0.02   0.02) =   0.008%
          QG2   THR   26 - QD2   LEU  104  15.12 +/- 0.72   0.032% *  1.3538% (0.13   0.02   0.02) =   0.005%
          QD    LYS+  66 - QD2   LEU  104  13.91 +/- 0.82   0.056% *  0.5002% (0.05   0.02   0.02) =   0.003%
          HB2   LYS+  74 - QD2   LEU  104  17.15 +/- 0.49   0.014% *  1.6064% (0.15   0.02   0.02) =   0.003%
          HG    LEU  115 - QD2   LEU  104  15.04 +/- 0.78   0.033% *  0.6083% (0.06   0.02   0.02) =   0.002%
          HG2   LYS+  65 - QD2   LEU  104  17.93 +/- 0.80   0.011% *  1.2386% (0.12   0.02   0.02) =   0.002%
    Distance limit 3.19 A violated in 20 structures by 0.78 A, eliminated.
    Peak unassigned.
 
    Peak 2315 (3.75, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.858, support = 0.0198, residual support = 0.0198:
        T HA    ALA   61 - QG2   VAL   18   4.05 +/- 0.31  98.262% * 17.8607% (0.87   0.02   0.02) =  98.856%  kept
          HD2   PRO   68 - QG2   VAL   18   9.63 +/- 0.64   0.589% * 20.1827% (0.98   0.02   0.02) =   0.670%
          HD2   PRO   68 - QG1   VAL   41  11.86 +/- 0.31   0.172% * 15.4242% (0.75   0.02   0.02) =   0.150%
          HA    VAL   24 - QG1   VAL   41  11.08 +/- 0.27   0.260% *  7.6594% (0.37   0.02   0.02) =   0.112%
          HD3   PRO   58 - QG2   VAL   18  10.06 +/- 0.31   0.432% *  4.0748% (0.20   0.02   0.02) =   0.099%
        T HA    ALA   61 - QG1   VAL   41  14.01 +/- 0.25   0.062% * 13.6497% (0.66   0.02   0.02) =   0.048%
          HA    VAL   24 - QG2   VAL   18  13.60 +/- 0.34   0.075% * 10.0224% (0.49   0.02   0.02) =   0.043%
          HD2   PRO   68 - QD2   LEU  104  13.38 +/- 0.92   0.086% *  3.1013% (0.15   0.02   0.02) =   0.015%
          HA    ALA   61 - QD2   LEU  104  16.90 +/- 0.59   0.020% *  2.7445% (0.13   0.02   0.02) =   0.003%
          HD3   PRO   58 - QG1   VAL   41  18.12 +/- 0.28   0.013% *  3.1141% (0.15   0.02   0.02) =   0.002%
          HA    VAL   24 - QD2   LEU  104  17.55 +/- 0.73   0.017% *  1.5401% (0.07   0.02   0.02) =   0.001%
          HD3   PRO   58 - QD2   LEU  104  19.19 +/- 0.46   0.009% *  0.6261% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 20 structures by 0.86 A, eliminated.
    Peak unassigned.
 
    Peak 2316 (4.86, 0.76, 22.78 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 3.85, residual support = 70.4:
      O T HA    VAL   41 - QG1   VAL   41   2.58 +/- 0.24  99.655% * 97.7660% (0.65   3.85  70.40) =  99.999%  kept
          HA    PHE   45 - QG2   VAL   18   8.55 +/- 0.55   0.101% *  0.5980% (0.76   0.02   0.02) =   0.001%
        T HA    VAL   41 - QG2   VAL   18   9.12 +/- 0.93   0.092% *  0.3877% (0.49   0.02   0.02) =   0.000%
          HA    PHE   45 - QG1   VAL   41  12.06 +/- 0.23   0.012% *  0.7825% (1.00   0.02   0.02) =   0.000%
        T HA    VAL   41 - QD2   LEU  104   8.55 +/- 0.55   0.090% *  0.0273% (0.03   0.02   0.02) =   0.000%
          HA    HIS  122 - QG1   VAL   41  12.66 +/- 0.39   0.008% *  0.2181% (0.28   0.02   0.02) =   0.000%
          HA    HIS  122 - QG2   VAL   18  12.77 +/- 0.83   0.009% *  0.1666% (0.21   0.02   0.02) =   0.000%
          HA    HIS  122 - QD2   LEU  104  10.20 +/- 0.74   0.031% *  0.0117% (0.01   0.02   0.02) =   0.000%
          HA    PHE   45 - QD2   LEU  104  15.88 +/- 0.45   0.002% *  0.0420% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 0.984, support = 0.0197, residual support = 0.0197:
          QD    PHE   60 - QG1   VAL   18   4.57 +/- 0.24  96.798% * 36.4324% (1.00   0.02   0.02) =  98.425%  kept
          HN    LYS+  66 - QG1   VAL   18   9.07 +/- 0.21   1.611% * 25.0257% (0.69   0.02   0.02) =   1.126%
          QE    PHE   59 - QG1   VAL   18   9.27 +/- 0.54   1.446% *  8.1111% (0.22   0.02   0.02) =   0.327%
          HN    LYS+  81 - QG1   VAL   18  13.72 +/- 0.42   0.144% * 30.4309% (0.84   0.02   0.02) =   0.122%
    Distance limit 3.40 A violated in 20 structures by 1.17 A, eliminated.
    Peak unassigned.
 
    Peak 2318 (8.26, 0.86, 22.91 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.49, residual support = 78.0:
          HN    VAL   18 - QG1   VAL   18   3.61 +/- 0.04  99.944% * 99.8233% (0.92   5.49  77.97) = 100.000%  kept
          HN    SER   13 - QG1   VAL   18  13.60 +/- 1.48   0.056% *  0.1767% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2319 (8.45, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.309, support = 0.987, residual support = 0.987:
          HN    LYS+  74 - QG1   VAL   18   3.34 +/- 0.13  99.413% * 88.9050% (0.31   0.99   0.99) =  99.972%  kept
          HN    THR   46 - QG1   VAL   18   7.96 +/- 0.30   0.565% *  4.2380% (0.73   0.02   0.02) =   0.027%
          HN    MET   92 - QG1   VAL   18  14.25 +/- 0.38   0.017% *  5.2342% (0.90   0.02   0.02) =   0.001%
          HN    ASP- 113 - QG1   VAL   18  17.61 +/- 0.23   0.005% *  1.6227% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2320 (8.92, 0.86, 22.91 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.85, residual support = 22.0:
          HN    ILE   19 - QG1   VAL   18   2.51 +/- 0.17  91.198% * 99.8049% (0.84   4.85  22.00) =  99.991%  kept
          HN    LEU   73 - QG1   VAL   18   3.85 +/- 0.41   8.589% *  0.0975% (0.20   0.02   0.02) =   0.009%
          HN    VAL   42 - QG1   VAL   18   7.00 +/- 0.49   0.213% *  0.0975% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2321 (7.28, 0.75, 22.78 ppm):
    15 chemical-shift based assignments, quality = 0.755, support = 0.0189, residual support = 0.0189:
          QD    PHE   60 - QG2   VAL   18   4.12 +/- 0.43  93.646% * 13.8337% (0.80   0.02   0.02) =  94.251%  kept
          HN    LYS+  66 - QG2   VAL   18   7.14 +/- 0.59   3.469% * 16.9341% (0.98   0.02   0.02) =   4.274%
          QE    PHE   59 - QG2   VAL   18   8.80 +/- 0.77   1.018% *  9.7810% (0.57   0.02   0.02) =   0.724%
          QD    PHE   60 - QG1   VAL   41  10.89 +/- 0.32   0.322% * 10.5721% (0.61   0.02   0.02) =   0.247%
          HN    PHE   59 - QG2   VAL   18   9.35 +/- 0.36   0.725% *  3.8463% (0.22   0.02   0.02) =   0.203%
          QE    PHE   59 - QG1   VAL   41  11.71 +/- 0.37   0.207% *  7.4749% (0.43   0.02   0.02) =   0.113%
          HN    LYS+  66 - QG1   VAL   41  13.12 +/- 0.20   0.104% * 12.9415% (0.75   0.02   0.02) =   0.098%
          QE    PHE   59 - QD2   LEU  104  11.31 +/- 0.40   0.255% *  1.5030% (0.09   0.02   0.02) =   0.028%
          HN    LYS+  81 - QG2   VAL   18  15.76 +/- 0.49   0.035% *  7.7455% (0.45   0.02   0.02) =   0.020%
          QD    PHE   60 - QD2   LEU  104  13.50 +/- 0.44   0.089% *  2.1257% (0.12   0.02   0.02) =   0.014%
          HN    LYS+  81 - QG1   VAL   41  16.33 +/- 0.41   0.028% *  5.9193% (0.34   0.02   0.02) =   0.012%
          HN    LYS+  66 - QD2   LEU  104  14.58 +/- 0.76   0.057% *  2.6021% (0.15   0.02   0.02) =   0.011%
          HN    PHE   59 - QG1   VAL   41  16.90 +/- 0.25   0.023% *  2.9394% (0.17   0.02   0.02) =   0.005%
          HN    PHE   59 - QD2   LEU  104  17.71 +/- 0.49   0.017% *  0.5910% (0.03   0.02   0.02) =   0.001%
          HN    LYS+  81 - QD2   LEU  104  21.35 +/- 0.71   0.006% *  1.1902% (0.07   0.02   0.02) =   0.001%
    Distance limit 3.49 A violated in 19 structures by 0.63 A, eliminated.
    Peak unassigned.
 
    Peak 2322 (8.28, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.607, support = 5.25, residual support = 78.0:
          HN    VAL   18 - QG2   VAL   18   2.29 +/- 0.47  99.815% * 98.1402% (0.61   5.25  77.97) = 100.000%  kept
          HN    GLN   30 - QG1   VAL   41   7.66 +/- 0.31   0.124% *  0.1174% (0.19   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG1   VAL   41   9.46 +/- 0.26   0.034% *  0.3418% (0.55   0.02   0.02) =   0.000%
          HN    VAL   18 - QG1   VAL   41  12.22 +/- 0.26   0.007% *  0.2855% (0.46   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG2   VAL   18  14.05 +/- 0.25   0.003% *  0.4472% (0.73   0.02   0.02) =   0.000%
          HN    GLN   30 - QG2   VAL   18  12.20 +/- 0.23   0.008% *  0.1536% (0.25   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG1   VAL   41  13.72 +/- 0.36   0.004% *  0.1453% (0.24   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG2   VAL   18  17.07 +/- 0.55   0.001% *  0.1901% (0.31   0.02   0.02) =   0.000%
          HN    GLU-  29 - QD2   LEU  104  16.80 +/- 0.72   0.001% *  0.0687% (0.11   0.02   0.02) =   0.000%
          HN    VAL   18 - QD2   LEU  104  17.27 +/- 0.55   0.001% *  0.0574% (0.09   0.02   0.02) =   0.000%
          HN    GLN   30 - QD2   LEU  104  15.26 +/- 0.73   0.002% *  0.0236% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  86 - QD2   LEU  104  17.07 +/- 0.74   0.001% *  0.0292% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2324 (8.99, 0.76, 22.78 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 4.25, residual support = 70.4:
          HN    VAL   41 - QG1   VAL   41   2.30 +/- 0.20  99.324% * 98.3891% (0.14   4.25  70.40) = 100.000%  kept
          HN    VAL   41 - QD2   LEU  104   6.15 +/- 0.56   0.573% *  0.0249% (0.01   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG1   VAL   41  10.87 +/- 0.37   0.009% *  0.6776% (0.20   0.02   0.02) =   0.000%
          HN    VAL   41 - QG2   VAL   18  11.10 +/- 0.95   0.009% *  0.3541% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QD2   LEU  104   7.63 +/- 0.14   0.083% *  0.0364% (0.01   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG2   VAL   18  14.47 +/- 0.94   0.002% *  0.5179% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 5.38, residual support = 87.2:
          HN    VAL   83 - QG1   VAL   83   2.36 +/- 0.23  99.972% * 98.5455% (0.36   5.38  87.21) = 100.000%  kept
          HE22  GLN   30 - QG1   VAL   83   9.90 +/- 0.86   0.024% *  0.1764% (0.17   0.02   0.02) =   0.000%
          HN    CYS   50 - QG1   VAL   83  15.16 +/- 0.76   0.002% *  0.7733% (0.75   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   83  15.12 +/- 0.68   0.002% *  0.5047% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2326 (1.09, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.456, support = 1.11, residual support = 2.18:
        T QG2   VAL   24 - QG1   VAL   83   2.35 +/- 0.71  68.180% * 47.2783% (0.46   1.09   2.18) =  66.953%  kept
          QG1   VAL   24 - QG1   VAL   83   2.84 +/- 0.72  31.818% * 50.0042% (0.46   1.16   2.18) =  33.047%  kept
        T QG1   VAL  107 - QG1   VAL   83  14.43 +/- 0.62   0.002% *  1.4253% (0.75   0.02   0.02) =   0.000%
        T HG    LEU   63 - QG1   VAL   83  18.09 +/- 1.03   0.000% *  0.6167% (0.33   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG1   VAL   83  22.83 +/- 0.92   0.000% *  0.6755% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2327 (10.23, 0.60, 22.78 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2328 (2.36, 4.18, 60.49 ppm):
    6 chemical-shift based assignments, quality = 0.612, support = 0.0196, residual support = 0.0196:
          HB3   PHE   97 - HA    ILE   19  16.16 +/- 0.48  13.640% * 25.4758% (0.92   0.02   0.02) =  39.021%  kept
          QG    GLU-  79 - HA    ILE   19  12.47 +/- 0.64  63.110% *  4.2582% (0.15   0.02   0.02) =  30.177%  kept
          HB2   PRO   58 - HA    ILE   19  18.47 +/- 0.39   6.016% * 25.4758% (0.92   0.02   0.02) =  17.210%  kept
        T HG3   GLU-  25 - HA    ILE   19  16.13 +/- 0.59  13.692% *  3.7349% (0.14   0.02   0.02) =   5.743%  kept
          HB2   GLU- 100 - HA    ILE   19  21.23 +/- 0.50   2.660% * 18.9570% (0.69   0.02   0.02) =   5.663%  kept
          HB2   GLN  116 - HA    ILE   19  25.43 +/- 0.31   0.881% * 22.0984% (0.80   0.02   0.02) =   2.186%
    Distance limit 4.19 A violated in 20 structures by 7.36 A, eliminated.
    Peak unassigned.
 
    Peak 2330 (8.72, 4.18, 60.49 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.05, residual support = 25.5:
      O   HN    ALA   20 - HA    ILE   19   2.30 +/- 0.02  99.997% * 99.7480% (0.73   5.05  25.51) = 100.000%  kept
          HN    PHE   45 - HA    ILE   19  13.25 +/- 0.20   0.003% *  0.1680% (0.31   0.02   0.02) =   0.000%
          HN    ALA  110 - HA    ILE   19  21.64 +/- 0.37   0.000% *  0.0840% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 6.54, residual support = 170.0:
      O   HN    ILE   19 - HA    ILE   19   2.89 +/- 0.02  99.475% * 99.6232% (0.98   6.54 169.98) =  99.999%  kept
          HN    LEU   73 - HA    ILE   19   7.06 +/- 0.18   0.472% *  0.1884% (0.61   0.02   5.32) =   0.001%
          HN    VAL   42 - HA    ILE   19  10.20 +/- 0.35   0.053% *  0.1884% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2332 (5.57, 2.00, 37.78 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 2.0, residual support = 5.32:
          HA    LEU   73 - HB    ILE   19   2.83 +/- 0.15 100.000% *100.0000% (0.95   2.00   5.32) = 100.000%  kept
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2333 (8.94, 2.00, 37.78 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.76, residual support = 170.0:
      O   HN    ILE   19 - HB    ILE   19   2.15 +/- 0.07  99.269% * 98.8284% (0.65   5.76 169.98) =  99.996%  kept
          HN    LEU   73 - HB    ILE   19   4.96 +/- 0.16   0.679% *  0.5120% (0.97   0.02   5.32) =   0.004%
          HN    VAL   42 - HB    ILE   19   7.65 +/- 0.38   0.051% *  0.5120% (0.97   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB    ILE   19  18.56 +/- 0.35   0.000% *  0.1475% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2334 (1.27, 0.69, 16.64 ppm):
    9 chemical-shift based assignments, quality = 0.278, support = 4.89, residual support = 169.9:
      O   HG13  ILE   19 - QG2   ILE   19   3.01 +/- 0.05  97.913% * 93.0184% (0.28   4.89 169.98) =  99.980%  kept
          QB    ALA   34 - QG2   ILE   19   6.79 +/- 0.22   0.765% *  1.3553% (0.99   0.02   0.02) =   0.011%
          QG2   THR   23 - QG2   ILE   19   7.69 +/- 0.36   0.377% *  1.0450% (0.76   0.02   0.02) =   0.004%
          QG2   THR   39 - QG2   ILE   19   8.38 +/- 0.38   0.219% *  0.8294% (0.61   0.02   0.02) =   0.002%
          HG2   LYS+  74 - QG2   ILE   19   6.96 +/- 0.35   0.679% *  0.1851% (0.14   0.02   8.34) =   0.001%
          QG2   ILE   56 - QG2   ILE   19  11.87 +/- 0.22   0.026% *  1.3403% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG2   ILE   19  15.27 +/- 0.51   0.006% *  1.1861% (0.87   0.02   0.02) =   0.000%
          QB    ALA   91 - QG2   ILE   19  15.42 +/- 0.34   0.005% *  0.8294% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QG2   ILE   19  14.42 +/- 1.06   0.009% *  0.2110% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 0.945, support = 5.44, residual support = 169.9:
      O   HG12  ILE   19 - QG2   ILE   19   2.94 +/- 0.18  73.237% * 97.3372% (0.95   5.44 169.98) =  99.927%  kept
          HG    LEU   73 - QG2   ILE   19   4.14 +/- 1.09  23.493% *  0.1990% (0.53   0.02   5.32) =   0.066%
          HB3   LYS+  74 - QG2   ILE   19   5.03 +/- 0.27   2.984% *  0.1420% (0.38   0.02   8.34) =   0.006%
          HG    LEU   80 - QG2   ILE   19   8.89 +/- 0.87   0.117% *  0.3749% (0.99   0.02   0.02) =   0.001%
          QB    ALA   61 - QG2   ILE   19  10.53 +/- 0.23   0.035% *  0.3708% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   ILE   19   9.77 +/- 0.68   0.059% *  0.2142% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - QG2   ILE   19  11.37 +/- 0.44   0.023% *  0.3392% (0.90   0.02   0.02) =   0.000%
        T QB    LEU   98 - QG2   ILE   19  10.53 +/- 0.59   0.037% *  0.0662% (0.18   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   ILE   19  13.98 +/- 0.33   0.007% *  0.2747% (0.73   0.02   0.02) =   0.000%
          QB    ALA  110 - QG2   ILE   19  14.84 +/- 0.29   0.004% *  0.3708% (0.98   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   ILE   19  17.64 +/- 0.73   0.002% *  0.1555% (0.41   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   ILE   19  17.94 +/- 0.69   0.001% *  0.1555% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.801, support = 4.89, residual support = 169.9:
      O   HB    ILE   19 - QG2   ILE   19   2.13 +/- 0.00  83.049% * 96.9829% (0.80   4.89 169.98) =  99.976%  kept
          HG3   GLN   30 - QG2   ILE   19   2.94 +/- 0.57  16.852% *  0.1102% (0.22   0.02  14.83) =   0.023%
          HB2   GLN   17 - QG2   ILE   19   7.34 +/- 0.11   0.050% *  0.4570% (0.92   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE   19   7.92 +/- 0.43   0.033% *  0.4570% (0.92   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE   19   9.45 +/- 0.55   0.011% *  0.4940% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   ILE   19  12.26 +/- 0.27   0.002% *  0.2803% (0.57   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG2   ILE   19  13.87 +/- 0.26   0.001% *  0.3595% (0.73   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG2   ILE   19  17.43 +/- 0.37   0.000% *  0.4295% (0.87   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE   19  20.63 +/- 0.42   0.000% *  0.4295% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2337 (2.75, 0.69, 16.64 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 2.13, residual support = 14.8:
          HG2   GLN   30 - QG2   ILE   19   3.73 +/- 0.16  99.636% * 96.5712% (0.65   2.13  14.83) =  99.998%  kept
          HB3   ASN   28 - QG2   ILE   19   9.90 +/- 0.19   0.291% *  0.5750% (0.41   0.02   0.02) =   0.002%
          HB3   HIS  122 - QG2   ILE   19  16.60 +/- 0.62   0.013% *  1.2133% (0.87   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QG2   ILE   19  17.18 +/- 0.94   0.011% *  1.3956% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QG2   ILE   19  13.49 +/- 0.38   0.047% *  0.2450% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2338 (4.18, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.75, residual support = 170.0:
      O   HA    ILE   19 - QG2   ILE   19   2.74 +/- 0.11  99.934% * 99.1427% (0.92   5.75 169.98) = 100.000%  kept
          HA    GLU-  25 - QG2   ILE   19   9.53 +/- 0.29   0.058% *  0.3738% (1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   ILE   19  15.09 +/- 0.25   0.004% *  0.2568% (0.69   0.02   0.02) =   0.000%
          HA    SER   82 - QG2   ILE   19  15.10 +/- 0.61   0.004% *  0.2267% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 3.69, residual support = 25.5:
          HN    ALA   20 - QG2   ILE   19   2.40 +/- 0.14  99.983% * 97.9122% (0.31   3.69  25.51) = 100.000%  kept
          HN    PHE   45 - QG2   ILE   19  10.51 +/- 0.39   0.017% *  1.2500% (0.73   0.02   0.02) =   0.000%
          HN    ALA  110 - QG2   ILE   19  18.07 +/- 0.46   0.001% *  0.8379% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2340 (8.94, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.71, residual support = 169.9:
          HN    ILE   19 - QG2   ILE   19   3.46 +/- 0.14  91.542% * 98.8182% (0.65   5.71 169.98) =  99.952%  kept
          HN    LEU   73 - QG2   ILE   19   5.26 +/- 0.39   7.738% *  0.5165% (0.97   0.02   5.32) =   0.044%
          HN    VAL   42 - QG2   ILE   19   7.82 +/- 0.45   0.713% *  0.5165% (0.97   0.02   0.02) =   0.004%
          HN    LYS+ 106 - QG2   ILE   19  16.65 +/- 0.49   0.008% *  0.1488% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 0.374, support = 0.0194, residual support = 0.0194:
          QD1   LEU   40 - HG13  ILE   19  11.34 +/- 0.65  12.246% * 23.4959% (0.41   0.02   0.02) =  32.016%  kept
          QD2   LEU   67 - HG13  ILE   19  12.31 +/- 0.45   7.263% * 39.2581% (0.69   0.02   0.02) =  31.725%  kept
          QD1   LEU   40 - HG    LEU   71   8.78 +/- 0.14  54.375% *  3.3680% (0.06   0.02   0.02) =  20.378%  kept
          QD2   LEU   67 - HG    LEU   71  10.38 +/- 0.32  20.200% *  5.6275% (0.10   0.02   0.02) =  12.649%  kept
          QD1   ILE  103 - HG13  ILE   19  16.40 +/- 0.78   1.319% *  8.8183% (0.15   0.02   0.02) =   1.294%
          QG2   ILE  119 - HG13  ILE   19  18.07 +/- 0.44   0.719% * 15.8904% (0.28   0.02   0.02) =   1.271%
          QD1   ILE  103 - HG    LEU   71  14.52 +/- 0.76   2.798% *  1.2641% (0.02   0.02   0.02) =   0.394%
          QG2   ILE  119 - HG    LEU   71  16.89 +/- 0.40   1.080% *  2.2778% (0.04   0.02   0.02) =   0.274%
    Distance limit 3.34 A violated in 20 structures by 4.66 A, eliminated.
    Peak unassigned.
 
    Peak 2342 (8.94, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.647, support = 5.76, residual support = 169.9:
          HN    ILE   19 - HG13  ILE   19   3.44 +/- 0.19  79.193% * 98.6146% (0.65   5.76 169.98) =  99.978%  kept
          HN    ILE   19 - HG    LEU   71   4.68 +/- 0.61  15.734% *  0.0491% (0.09   0.02   0.02) =   0.010%
          HN    LEU   73 - HG13  ILE   19   7.19 +/- 0.44   1.028% *  0.5108% (0.97   0.02   5.32) =   0.007%
          HN    LEU   73 - HG    LEU   71   6.37 +/- 0.63   2.297% *  0.0732% (0.14   0.02   0.02) =   0.002%
          HN    VAL   42 - HG13  ILE   19   9.36 +/- 0.79   0.223% *  0.5108% (0.97   0.02   0.02) =   0.001%
          HN    VAL   42 - HG    LEU   71   6.76 +/- 0.52   1.520% *  0.0732% (0.14   0.02   0.94) =   0.001%
          HN    LYS+ 106 - HG13  ILE   19  20.54 +/- 0.59   0.002% *  0.1472% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   71  18.33 +/- 0.52   0.004% *  0.0211% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2343 (6.66, 0.69, 16.64 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 2.13, residual support = 14.8:
          HE22  GLN   30 - QG2   ILE   19   3.37 +/- 0.50  99.600% * 97.3475% (0.41   2.13  14.83) =  99.998%  kept
          QE    PHE   45 - QG2   ILE   19   9.07 +/- 0.36   0.366% *  0.4390% (0.20   0.02   0.02) =   0.002%
          HD22  ASN   69 - QG2   ILE   19  13.51 +/- 0.77   0.033% *  2.2135% (1.00   0.02   0.02) =   0.001%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2344 (7.18, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.05, residual support = 14.8:
          HE21  GLN   30 - QG2   ILE   19   3.27 +/- 0.76  99.538% * 97.4719% (1.00   2.05  14.83) =  99.996%  kept
          HD1   TRP   27 - QG2   ILE   19   8.81 +/- 0.25   0.422% *  0.8251% (0.87   0.02   0.02) =   0.004%
          QD    PHE   59 - QG2   ILE   19  13.45 +/- 0.43   0.037% *  0.8251% (0.87   0.02   0.02) =   0.000%
          HH2   TRP   49 - QG2   ILE   19  20.61 +/- 0.28   0.003% *  0.8780% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2345 (6.61, 0.74, 12.33 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 2.24, residual support = 14.8:
          HE22  GLN   30 - QD1   ILE   19   4.05 +/- 0.17  99.919% * 93.9702% (0.25   2.24  14.83) =  99.999%  kept
          HN    VAL   83 - QD1   ILE   19  14.28 +/- 0.59   0.056% *  1.1499% (0.34   0.02   0.02) =   0.001%
          HN    CYS   50 - QD1   ILE   19  17.83 +/- 0.27   0.014% *  2.6993% (0.80   0.02   0.02) =   0.000%
          HN    TRP   49 - QD1   ILE   19  18.74 +/- 0.32   0.011% *  2.1807% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 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  18.05 +/- 0.49 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 4.36 A violated in 20 structures by 13.69 A, eliminated.
    Peak unassigned.
 
    Peak 2347 (4.18, 1.14, 19.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 3.85, residual support = 25.5:
          HA    ILE   19 - QB    ALA   20   3.84 +/- 0.02  99.788% * 98.7243% (0.92   3.85  25.51) =  99.999%  kept
          HA    GLU-  25 - QB    ALA   20  11.62 +/- 0.29   0.133% *  0.5562% (1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QB    ALA   20  13.49 +/- 0.47   0.055% *  0.3821% (0.69   0.02   0.02) =   0.000%
          HA    SER   82 - QB    ALA   20  15.41 +/- 0.49   0.025% *  0.3374% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 0.892, support = 0.0199, residual support = 8.1:
          QE    LYS+  74 - QB    ALA   20   3.39 +/- 0.25  99.124% * 25.4326% (0.90   0.02   8.15) =  99.416%  kept
          HB2   PHE   72 - QB    ALA   20   8.06 +/- 0.26   0.592% * 16.0552% (0.57   0.02   0.02) =   0.375%
          QB    CYS   50 - QB    ALA   20   9.96 +/- 0.42   0.174% * 26.1780% (0.92   0.02   0.02) =   0.179%
          HB3   ASP-  78 - QB    ALA   20  10.89 +/- 0.40   0.101% *  4.9664% (0.18   0.02   0.02) =   0.020%
          HB3   ASN   69 - QB    ALA   20  16.04 +/- 0.31   0.010% * 27.3678% (0.97   0.02   0.02) =   0.010%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2349 (7.35, 1.14, 19.25 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 2.12, residual support = 5.26:
          HD2   HIS   22 - QB    ALA   20   3.57 +/- 0.28  96.953% * 96.4668% (0.92   2.12   5.26) =  99.983%  kept
          HN    THR   23 - QB    ALA   20   6.51 +/- 0.18   2.888% *  0.5191% (0.53   0.02   0.02) =   0.016%
          QE    PHE   95 - QB    ALA   20  11.70 +/- 0.35   0.086% *  0.4802% (0.49   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    ALA   20  13.58 +/- 0.19   0.035% *  0.8848% (0.90   0.02   0.02) =   0.000%
          HD1   TRP   49 - QB    ALA   20  14.95 +/- 0.54   0.020% *  0.9778% (0.99   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   20  17.22 +/- 0.76   0.009% *  0.5191% (0.53   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   20  16.84 +/- 0.39   0.010% *  0.1522% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.84 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 = 3.66, residual support = 14.3:
          HN    CYS   21 - QB    ALA   20   3.46 +/- 0.05  99.933% * 99.0739% (0.95   3.66  14.31) = 100.000%  kept
          HN    LYS+  33 - QB    ALA   20  12.71 +/- 0.23   0.041% *  0.3475% (0.61   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    ALA   20  15.35 +/- 0.44   0.013% *  0.1768% (0.31   0.02   0.02) =   0.000%
          HN    SER   37 - QB    ALA   20  15.96 +/- 0.24   0.010% *  0.1003% (0.18   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    ALA   20  19.68 +/- 0.38   0.003% *  0.3014% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2351 (8.73, 1.14, 19.25 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.74, residual support = 15.2:
      O   HN    ALA   20 - QB    ALA   20   2.20 +/- 0.08  99.993% * 97.9400% (0.31   3.74  15.24) = 100.000%  kept
          HN    PHE   45 - QB    ALA   20  10.91 +/- 0.30   0.007% *  1.2333% (0.73   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   20  17.48 +/- 0.42   0.000% *  0.8267% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.426, support = 0.0169, residual support = 0.0169:
          HB    VAL   41 - HB2   CYS   21  11.19 +/- 0.82  24.841% *  9.0526% (0.65   0.02   0.02) =  38.785%  kept
          QB    LYS+  33 - HB2   CYS   21  10.43 +/- 0.49  36.494% *  4.7734% (0.34   0.02   0.02) =  30.045%  kept
          QB    LYS+  81 - HB2   CYS   21  11.90 +/- 0.63  17.544% *  3.1155% (0.22   0.02   0.02) =   9.427%  kept
          HG12  ILE  103 - HB2   CYS   21  15.54 +/- 0.75   3.324% * 11.2053% (0.80   0.02   0.02) =   6.424%  kept
          QB    LYS+ 106 - HB2   CYS   21  14.53 +/- 0.80   5.000% *  2.7693% (0.20   0.02   0.02) =   2.388%
          HB3   GLN   90 - HB2   CYS   21  15.67 +/- 1.19   3.399% *  3.8908% (0.28   0.02   0.02) =   2.281%
          QB    LYS+  66 - HB2   CYS   21  17.21 +/- 0.42   1.779% *  6.2738% (0.45   0.02   0.02) =   1.925%
          HB3   ASP- 105 - HB2   CYS   21  17.46 +/- 0.58   1.660% *  6.2738% (0.45   0.02   0.02) =   1.796%
          HB    ILE  103 - HB2   CYS   21  17.93 +/- 0.54   1.388% *  7.3624% (0.53   0.02   0.02) =   1.763%
          HB3   PRO   52 - HB2   CYS   21  20.23 +/- 0.37   0.674% * 13.7167% (0.98   0.02   0.02) =   1.594%
          HG2   PRO   93 - HB2   CYS   21  16.76 +/- 0.43   2.091% *  3.1155% (0.22   0.02   0.02) =   1.124%
          HG2   ARG+  54 - HB2   CYS   21  19.41 +/- 1.04   0.905% *  6.8115% (0.49   0.02   0.02) =   1.063%
          HG3   PRO   68 - HB2   CYS   21  19.89 +/- 0.49   0.747% *  7.9226% (0.57   0.02   0.02) =   1.021%
          HG    LEU  123 - HB2   CYS   21  25.91 +/- 0.68   0.154% * 13.7167% (0.98   0.02   0.02) =   0.364%
    Distance limit 4.20 A violated in 20 structures by 4.86 A, eliminated.
    Peak unassigned.
 
    Peak 2353 (0.57, 3.08, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.798, support = 1.32, residual support = 3.28:
          QD1   LEU   73 - HB2   CYS   21   3.68 +/- 0.42  60.092% * 93.5844% (0.80   1.32   3.30) =  99.655%  kept
          QD1   LEU   80 - HB2   CYS   21   4.96 +/- 1.69  28.487% *  0.3939% (0.22   0.02   0.02) =   0.199%
          QD2   LEU   80 - HB2   CYS   21   5.04 +/- 0.87  10.495% *  0.7273% (0.41   0.02   0.02) =   0.135%
          QG2   VAL   41 - HB2   CYS   21   7.62 +/- 0.44   0.704% *  0.6640% (0.38   0.02   0.02) =   0.008%
          QD2   LEU   98 - HB2   CYS   21   9.86 +/- 0.56   0.153% *  0.3939% (0.22   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB2   CYS   21  12.59 +/- 0.77   0.038% *  1.4166% (0.80   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB2   CYS   21  14.08 +/- 0.76   0.019% *  1.6331% (0.92   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB2   CYS   21  17.49 +/- 0.53   0.005% *  0.7931% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   CYS   21  15.93 +/- 0.48   0.008% *  0.3939% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 2 structures by 0.05 A, kept.
 
    Peak 2354 (4.60, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 2.76, residual support = 28.9:
      O T HA    CYS   21 - HB2   CYS   21   2.97 +/- 0.13  99.988% * 97.7582% (0.92   2.76  28.94) = 100.000%  kept
          HA    CYS   50 - HB2   CYS   21  15.33 +/- 0.37   0.006% *  0.4351% (0.57   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   CYS   21  18.47 +/- 0.45   0.002% *  0.7533% (0.98   0.02   0.02) =   0.000%
          HA    TRP   49 - HB2   CYS   21  17.89 +/- 0.42   0.002% *  0.5873% (0.76   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB2   CYS   21  17.24 +/- 0.41   0.003% *  0.4661% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 0.784, support = 3.04, residual support = 5.68:
          HD2   HIS   22 - HB2   CYS   21   4.89 +/- 0.66  39.489% * 72.8780% (0.92   3.50   6.57) =  64.947%  kept
          HN    THR   23 - HB2   CYS   21   4.42 +/- 0.21  60.329% * 25.7449% (0.53   2.17   4.02) =  35.052%  kept
          QE    PHE   95 - HB2   CYS   21  12.78 +/- 0.45   0.104% *  0.2194% (0.49   0.02   0.02) =   0.001%
          HN    LEU   67 - HB2   CYS   21  16.58 +/- 0.50   0.022% *  0.4042% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   CYS   21  15.49 +/- 1.00   0.035% *  0.2371% (0.53   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   CYS   21  17.33 +/- 0.51   0.016% *  0.4467% (0.99   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   CYS   21  20.52 +/- 0.40   0.006% *  0.0695% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2356 (7.93, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.41, residual support = 28.9:
      O   HN    CYS   21 - HB2   CYS   21   2.57 +/- 0.22  99.976% * 99.0085% (0.95   3.41  28.94) = 100.000%  kept
          HN    LYS+  33 - HB2   CYS   21  11.34 +/- 0.48   0.015% *  0.3720% (0.61   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   CYS   21  13.36 +/- 0.47   0.006% *  0.1893% (0.31   0.02   0.02) =   0.000%
          HN    SER   37 - HB2   CYS   21  15.73 +/- 0.55   0.002% *  0.1074% (0.18   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   CYS   21  21.92 +/- 0.42   0.000% *  0.3227% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2358 (1.84, 2.60, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.286, support = 0.0179, residual support = 0.0179:
          QB    LYS+  33 - HB3   CYS   21   9.75 +/- 0.60  50.869% *  4.7734% (0.23   0.02   0.02) =  43.716%  kept
          HB    VAL   41 - HB3   CYS   21  11.54 +/- 0.88  19.541% *  9.0526% (0.44   0.02   0.02) =  31.848%  kept
          QB    LYS+  81 - HB3   CYS   21  12.09 +/- 0.67  15.213% *  3.1155% (0.15   0.02   0.02) =   8.533%  kept
          HG12  ILE  103 - HB3   CYS   21  16.05 +/- 0.78   2.581% * 11.2053% (0.55   0.02   0.02) =   5.206%  kept
          HB3   GLN   90 - HB3   CYS   21  16.52 +/- 1.40   2.422% *  3.8908% (0.19   0.02   0.02) =   1.697%
          QB    LYS+ 106 - HB3   CYS   21  15.42 +/- 0.79   3.259% *  2.7693% (0.14   0.02   0.02) =   1.625%
          HB    ILE  103 - HB3   CYS   21  18.48 +/- 0.60   1.088% *  7.3624% (0.36   0.02   0.02) =   1.442%
          QB    LYS+  66 - HB3   CYS   21  18.23 +/- 0.42   1.155% *  6.2738% (0.31   0.02   0.02) =   1.305%
          HB3   ASP- 105 - HB3   CYS   21  18.49 +/- 0.63   1.096% *  6.2738% (0.31   0.02   0.02) =   1.238%
          HB3   PRO   52 - HB3   CYS   21  21.73 +/- 0.41   0.412% * 13.7167% (0.67   0.02   0.02) =   1.017%
          HG3   PRO   68 - HB3   CYS   21  20.55 +/- 0.67   0.564% *  7.9226% (0.39   0.02   0.02) =   0.805%
          HG2   PRO   93 - HB3   CYS   21  18.29 +/- 0.45   1.162% *  3.1155% (0.15   0.02   0.02) =   0.652%
          HG2   ARG+  54 - HB3   CYS   21  20.89 +/- 0.96   0.532% *  6.8115% (0.33   0.02   0.02) =   0.652%
          HG    LEU  123 - HB3   CYS   21  27.17 +/- 0.67   0.107% * 13.7167% (0.67   0.02   0.02) =   0.264%
    Distance limit 4.27 A violated in 20 structures by 4.57 A, eliminated.
    Peak unassigned.
 
    Peak 2359 (1.49, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.596, support = 2.0, residual support = 2.72:
          QG2   THR   26 - HB3   CYS   21   3.00 +/- 0.65  99.149% * 95.4718% (0.60   2.00   2.72) =  99.990%  kept
          HB2   LYS+  74 - HB3   CYS   21   7.07 +/- 0.48   0.837% *  1.0982% (0.69   0.02   7.90) =   0.010%
          HB3   LEU   40 - HB3   CYS   21  16.14 +/- 0.92   0.006% *  0.6231% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   CYS   21  18.28 +/- 1.19   0.003% *  0.8813% (0.55   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   CYS   21  23.15 +/- 0.91   0.001% *  0.7992% (0.50   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB3   CYS   21  20.26 +/- 0.70   0.002% *  0.3754% (0.23   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   CYS   21  22.15 +/- 1.15   0.001% *  0.3754% (0.23   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   CYS   21  23.11 +/- 0.39   0.001% *  0.3754% (0.23   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2360 (0.57, 2.60, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.547, support = 1.31, residual support = 3.28:
          QD1   LEU   73 - HB3   CYS   21   3.75 +/- 0.29  52.147% * 93.5844% (0.55   1.32   3.30) =  99.448%  kept
          QD2   LEU   80 - HB3   CYS   21   4.73 +/- 1.03  24.151% *  0.7273% (0.28   0.02   0.02) =   0.358%
          QD1   LEU   80 - HB3   CYS   21   4.93 +/- 1.32  22.956% *  0.3939% (0.15   0.02   0.02) =   0.184%
          QG2   VAL   41 - HB3   CYS   21   7.89 +/- 0.45   0.574% *  0.6640% (0.26   0.02   0.02) =   0.008%
          QD2   LEU   98 - HB3   CYS   21  10.18 +/- 0.55   0.126% *  0.3939% (0.15   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB3   CYS   21  13.73 +/- 0.70   0.023% *  1.4166% (0.55   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB3   CYS   21  15.13 +/- 0.77   0.013% *  1.6331% (0.63   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   CYS   21  16.38 +/- 0.58   0.007% *  0.3939% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   CYS   21  18.72 +/- 0.47   0.003% *  0.7931% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2361 (7.93, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.65, support = 3.34, residual support = 28.9:
      O   HN    CYS   21 - HB3   CYS   21   3.57 +/- 0.18  99.796% * 98.9863% (0.65   3.34  28.94) =  99.999%  kept
          HN    LYS+  33 - HB3   CYS   21  10.52 +/- 0.54   0.157% *  0.3804% (0.42   0.02   0.02) =   0.001%
          HN    ILE   89 - HB3   CYS   21  14.14 +/- 0.63   0.029% *  0.1936% (0.21   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   CYS   21  15.25 +/- 0.58   0.017% *  0.1098% (0.12   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   CYS   21  23.27 +/- 0.42   0.001% *  0.3299% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2362 (7.74, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.525, support = 0.749, residual support = 1.5:
          HN    TRP   27 - HB3   CYS   21   3.89 +/- 0.22  99.503% * 88.5563% (0.52   0.75   1.50) =  99.987%  kept
          HD1   TRP   87 - HB3   CYS   21  10.17 +/- 0.49   0.324% *  2.8566% (0.63   0.02   0.02) =   0.011%
          HN    THR   39 - HB3   CYS   21  15.42 +/- 0.52   0.028% *  2.9273% (0.65   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB3   CYS   21  14.84 +/- 0.55   0.035% *  1.7520% (0.39   0.02   0.02) =   0.001%
          HE3   TRP   87 - HB3   CYS   21  13.32 +/- 0.53   0.064% *  0.4188% (0.09   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   CYS   21  16.68 +/- 0.86   0.017% *  1.2722% (0.28   0.02   0.02) =   0.000%
          HN    ALA   61 - HB3   CYS   21  16.74 +/- 0.40   0.017% *  1.0556% (0.23   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   CYS   21  17.92 +/- 1.02   0.012% *  1.1614% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2363 (7.35, 2.60, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.447, support = 2.62, residual support = 4.82:
          HN    THR   23 - HB3   CYS   21   3.59 +/- 0.57  89.118% * 20.7030% (0.36   1.93   4.02) =  68.636%  kept
          HD2   HIS   22 - HB3   CYS   21   5.34 +/- 0.39  10.802% * 78.0487% (0.63   4.14   6.57) =  31.364%  kept
          HD21  ASN   35 - HB3   CYS   21  14.87 +/- 1.08   0.031% *  0.2150% (0.36   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   CYS   21  14.19 +/- 0.34   0.031% *  0.1989% (0.33   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   CYS   21  17.59 +/- 0.55   0.010% *  0.3664% (0.62   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   CYS   21  18.55 +/- 0.52   0.006% *  0.4050% (0.68   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   CYS   21  21.92 +/- 0.36   0.002% *  0.0630% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2364 (4.60, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.51, residual support = 28.9:
      O T HA    CYS   21 - HB3   CYS   21   2.41 +/- 0.12  99.998% * 97.5450% (0.63   2.51  28.94) = 100.000%  kept
          HA    CYS   50 - HB3   CYS   21  16.75 +/- 0.43   0.001% *  0.4765% (0.39   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   CYS   21  18.71 +/- 0.53   0.000% *  0.8249% (0.67   0.02   0.02) =   0.000%
          HA    TRP   49 - HB3   CYS   21  19.09 +/- 0.49   0.000% *  0.6432% (0.52   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB3   CYS   21  18.64 +/- 0.44   0.000% *  0.5105% (0.42   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 0.643, support = 3.28, residual support = 30.4:
      O   HD2   HIS   22 - HB2   HIS   22   3.73 +/- 0.09  72.383% * 46.0415% (0.74   2.51  33.47) =  69.607%  kept
          HN    THR   23 - HB2   HIS   22   4.43 +/- 0.37  27.589% * 52.7448% (0.42   5.05  23.27) =  30.393%  kept
          HD1   TRP   49 - HB2   HIS   22  15.98 +/- 1.12   0.013% *  0.3937% (0.79   0.02   0.02) =   0.000%
          QE    PHE   95 - HB2   HIS   22  16.66 +/- 0.61   0.009% *  0.1934% (0.39   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   HIS   22  22.22 +/- 0.25   0.002% *  0.3563% (0.72   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   HIS   22  21.22 +/- 1.03   0.002% *  0.2090% (0.42   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   HIS   22  22.28 +/- 0.83   0.002% *  0.0613% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 0.831, support = 3.51, residual support = 31.9:
      O   HD2   HIS   22 - HB3   HIS   22   3.61 +/- 0.36  65.542% * 73.9973% (0.95   3.13  33.47) =  85.025%  kept
          HN    THR   23 - HB3   HIS   22   4.07 +/- 0.13  34.441% * 24.8021% (0.18   5.66  23.27) =  14.975%  kept
          HD1   TRP   49 - HB3   HIS   22  17.24 +/- 0.87   0.006% *  0.4180% (0.84   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   HIS   22  20.65 +/- 0.87   0.002% *  0.4619% (0.92   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   HIS   22  17.09 +/- 0.42   0.006% *  0.0772% (0.15   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   HIS   22  21.96 +/- 0.29   0.001% *  0.2436% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 3.34, residual support = 23.3:
          QG2   THR   23 - HB3   HIS   22   3.29 +/- 0.26  99.921% * 96.0030% (0.34   3.34  23.27) =  99.999%  kept
          QG2   THR   77 - HB3   HIS   22  11.17 +/- 0.44   0.073% *  1.6711% (0.99   0.02   0.02) =   0.001%
          QB    ALA   88 - HB3   HIS   22  17.15 +/- 0.44   0.005% *  1.2243% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   HIS   22  25.02 +/- 0.51   0.001% *  0.6328% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   HIS   22  24.33 +/- 0.50   0.001% *  0.4688% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2368 (7.03, 3.44, 70.99 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.2, residual support = 12.7:
          HN    ALA   47 - HB    THR   46   3.65 +/- 0.62  98.744% * 98.4512% (0.38   3.20  12.68) =  99.980%  kept
          QD    PHE   95 - HB    THR   46   8.14 +/- 0.45   1.256% *  1.5488% (0.95   0.02   0.02) =   0.020%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2369 (8.47, 3.44, 70.99 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.25, residual support = 34.5:
      O   HN    THR   46 - HB    THR   46   3.19 +/- 0.28  99.466% * 97.9706% (0.87   3.25  34.52) =  99.997%  kept
          HN    MET   92 - HB    THR   46   8.91 +/- 0.62   0.320% *  0.4775% (0.69   0.02   0.02) =   0.002%
          HN    LYS+  74 - HB    THR   46   8.99 +/- 0.63   0.202% *  0.6814% (0.98   0.02   0.02) =   0.001%
          HN    LYS+ 112 - HB    THR   46  14.91 +/- 0.28   0.011% *  0.3657% (0.53   0.02   0.02) =   0.000%
          HN    MET   11 - HB    THR   46  30.17 +/- 4.35   0.001% *  0.5048% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2370 (1.31, 3.50, 29.58 ppm):
    8 chemical-shift based assignments, quality = 0.31, support = 0.0193, residual support = 0.0193:
          HB3   LEU   80 - HB2   HIS   22   6.88 +/- 1.28  87.654% *  5.4086% (0.20   0.02   0.02) =  69.838%  kept
          QG2   THR   77 - HB2   HIS   22  10.26 +/- 0.79  10.403% * 17.3685% (0.64   0.02   0.02) =  26.616%  kept
          QB    ALA   88 - HB2   HIS   22  16.46 +/- 0.70   0.596% * 21.6906% (0.80   0.02   0.02) =   1.903%
          HB2   LEU   31 - HB2   HIS   22  15.62 +/- 0.49   1.010% *  8.1407% (0.30   0.02   0.02) =   1.211%
          HG2   LYS+  99 - HB2   HIS   22  24.72 +/- 0.50   0.060% * 15.7506% (0.58   0.02   0.02) =   0.138%
          HG2   LYS+  38 - HB2   HIS   22  25.69 +/- 0.37   0.047% * 18.1176% (0.67   0.02   0.02) =   0.127%
        T HB2   LEU   63 - HB2   HIS   22  20.20 +/- 0.60   0.188% *  3.7987% (0.14   0.02   0.02) =   0.105%
          HG2   LYS+ 111 - HB2   HIS   22  25.74 +/- 0.92   0.043% *  9.7246% (0.36   0.02   0.02) =   0.062%
    Distance limit 4.40 A violated in 20 structures by 2.33 A, eliminated.
    Peak unassigned.
 
    Peak 2372 (7.93, 4.63, 51.23 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 2.86, residual support = 14.3:
      O   HN    CYS   21 - HA    ALA   20   2.20 +/- 0.01  99.997% * 98.8188% (0.95   2.86  14.31) = 100.000%  kept
          HN    LYS+  33 - HA    ALA   20  14.04 +/- 0.36   0.001% *  0.4432% (0.61   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ALA   20  16.41 +/- 0.48   0.001% *  0.2256% (0.31   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ALA   20  17.82 +/- 0.38   0.000% *  0.1280% (0.18   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ALA   20  21.67 +/- 0.41   0.000% *  0.3845% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2373 (5.03, 4.63, 51.23 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HA    ASP-  76 - HA    ALA   20   8.63 +/- 0.31 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.55 A violated in 20 structures by 5.07 A, eliminated.
    Peak unassigned.
 
    Peak 2374 (2.40, 4.68, 56.96 ppm):
    5 chemical-shift based assignments, quality = 0.573, support = 0.02, residual support = 0.02:
          QG    GLU-  79 - HA    HIS   22   3.58 +/- 0.69  99.751% * 18.5628% (0.57   0.02   0.02) =  99.795%  kept
          HB3   PHE   45 - HA    HIS   22  10.68 +/- 0.44   0.218% * 13.7211% (0.42   0.02   0.02) =   0.161%
          QG    GLN   32 - HA    HIS   22  15.43 +/- 1.00   0.022% * 27.4474% (0.85   0.02   0.02) =   0.032%
          HB    VAL  107 - HA    HIS   22  19.47 +/- 0.44   0.006% * 26.5475% (0.82   0.02   0.02) =   0.008%
          QE    LYS+ 112 - HA    HIS   22  20.98 +/- 0.43   0.004% * 13.7211% (0.42   0.02   0.02) =   0.003%
    Distance limit 3.67 A violated in 10 structures by 0.22 A, eliminated.
    Peak unassigned.
 
    Peak 2375 (1.67, 4.68, 56.96 ppm):
    12 chemical-shift based assignments, quality = 0.555, support = 0.0196, residual support = 0.0196:
          HB    VAL   83 - HA    HIS   22   8.25 +/- 0.84  32.693% * 10.9951% (0.76   0.02   0.02) =  63.534%  kept
          HD2   LYS+  74 - HA    HIS   22   8.16 +/- 1.46  40.555% *  2.4048% (0.17   0.02   0.02) =  17.237%  kept
        T HB2   LEU   73 - HA    HIS   22   8.64 +/- 0.83  25.304% *  3.8178% (0.26   0.02   0.02) =  17.075%  kept
          HG3   PRO   93 - HA    HIS   22  16.79 +/- 0.56   0.436% * 11.4693% (0.79   0.02   0.02) =   0.884%
          QD    LYS+  65 - HA    HIS   22  18.87 +/- 1.02   0.225% *  9.9709% (0.69   0.02   0.02) =   0.396%
          HB3   MET   92 - HA    HIS   22  17.75 +/- 0.96   0.320% *  5.6451% (0.39   0.02   0.02) =   0.319%
          QD    LYS+ 102 - HA    HIS   22  22.40 +/- 0.99   0.082% * 13.2516% (0.91   0.02   0.02) =   0.191%
          QD    LYS+  38 - HA    HIS   22  22.88 +/- 0.71   0.067% * 12.6755% (0.87   0.02   0.02) =   0.150%
          QD    LYS+ 106 - HA    HIS   22  18.81 +/- 1.59   0.239% *  2.1187% (0.15   0.02   0.02) =   0.090%
          HB2   LYS+ 121 - HA    HIS   22  25.57 +/- 0.63   0.036% *  9.4321% (0.65   0.02   0.02) =   0.059%
          HD2   LYS+ 111 - HA    HIS   22  26.04 +/- 0.58   0.031% *  7.2243% (0.50   0.02   0.02) =   0.040%
          HB2   LEU  123 - HA    HIS   22  30.03 +/- 0.53   0.013% * 10.9951% (0.76   0.02   0.02) =   0.026%
    Distance limit 3.85 A violated in 20 structures by 2.83 A, eliminated.
    Peak unassigned.
 
    Peak 2376 (8.91, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.385, support = 0.0198, residual support = 0.0198:
          HN    ILE   19 - HA    HIS   22  10.91 +/- 0.18  97.820% * 67.5049% (0.39   0.02   0.02) =  98.939%  kept
          HN    LEU   40 - HA    HIS   22  20.58 +/- 0.25   2.180% * 32.4951% (0.19   0.02   0.02) =   1.061%
    Distance limit 4.00 A violated in 20 structures by 6.91 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 = 4.96, residual support = 25.2:
      O   HN    VAL   24 - HA    THR   23   2.31 +/- 0.06 100.000% *100.0000% (0.64   4.96  25.16) = 100.000%  kept
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2379 (9.23, 4.81, 72.92 ppm):
    1 chemical-shift based assignment, quality = 0.487, support = 5.39, residual support = 25.2:
          HN    VAL   24 - HB    THR   23   2.99 +/- 0.20 100.000% *100.0000% (0.49   5.39  25.16) = 100.000%  kept
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2380 (7.35, 1.28, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.726, support = 4.79, residual support = 19.3:
          HN    THR   23 - QG2   THR   23   3.40 +/- 0.24  90.991% * 96.7793% (0.73   4.79  19.30) =  99.978%  kept
          HD2   HIS   22 - QG2   THR   23   5.84 +/- 0.43   3.736% *  0.4252% (0.76   0.02  23.27) =   0.018%
          HD1   TRP   49 - QB    ALA   91   6.73 +/- 1.34   3.939% *  0.0525% (0.09   0.02   0.02) =   0.002%
          HE3   TRP   27 - QG2   THR   23   8.59 +/- 0.47   0.368% *  0.1239% (0.22   0.02   1.64) =   0.001%
          HN    LEU   67 - QG2   THR   39   8.88 +/- 0.52   0.318% *  0.1228% (0.22   0.02   0.02) =   0.000%
          QE    PHE   95 - QB    ALA   91   9.94 +/- 0.69   0.203% *  0.0402% (0.07   0.02   0.02) =   0.000%
          HD21  ASN   35 - QG2   THR   39  10.37 +/- 0.53   0.138% *  0.0422% (0.08   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   23  16.09 +/- 0.55   0.009% *  0.4989% (0.90   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   23  16.20 +/- 0.29   0.008% *  0.3821% (0.69   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG2   THR   39  10.86 +/- 0.82   0.114% *  0.0276% (0.05   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   39  13.24 +/- 0.42   0.028% *  0.0851% (0.15   0.02   0.02) =   0.000%
          HD21  ASN   35 - QG2   THR   23  16.20 +/- 0.75   0.008% *  0.1898% (0.34   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   91  11.79 +/- 0.83   0.072% *  0.0163% (0.03   0.02   0.02) =   0.000%
          HN    THR   23 - QG2   THR   39  15.39 +/- 0.54   0.012% *  0.0899% (0.16   0.02   0.02) =   0.000%
          HN    LEU   67 - QG2   THR   23  20.60 +/- 0.41   0.002% *  0.5514% (0.99   0.02   0.02) =   0.000%
          HD2   HIS   22 - QG2   THR   39  15.63 +/- 0.53   0.011% *  0.0947% (0.17   0.02   0.02) =   0.000%
          HD2   HIS   22 - QB    ALA   91  15.44 +/- 1.34   0.013% *  0.0447% (0.08   0.02   0.02) =   0.000%
          HN    THR   23 - QB    ALA   91  16.01 +/- 0.33   0.009% *  0.0425% (0.08   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   23  21.43 +/- 0.44   0.002% *  0.1547% (0.28   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    ALA   91  15.30 +/- 0.36   0.012% *  0.0130% (0.02   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    ALA   91  20.74 +/- 0.69   0.002% *  0.0580% (0.10   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   39  23.98 +/- 0.39   0.001% *  0.1111% (0.20   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   39  20.29 +/- 0.47   0.002% *  0.0344% (0.06   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   91  22.62 +/- 1.11   0.001% *  0.0200% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2381 (2.46, 3.81, 65.84 ppm):
    5 chemical-shift based assignments, quality = 0.341, support = 1.84, residual support = 10.8:
          HB3   ASP-  86 - HA    VAL   83   3.31 +/- 0.42  99.922% * 91.4944% (0.34   1.84  10.83) =  99.998%  kept
          HG3   MET   96 - HA    VAL   83  11.92 +/- 0.69   0.059% *  2.9229% (1.00   0.02   0.02) =   0.002%
          HG2   GLU-  29 - HA    VAL   83  14.88 +/- 0.62   0.016% *  0.6507% (0.22   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    VAL   83  20.53 +/- 0.65   0.002% *  2.6982% (0.92   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    VAL   83  25.51 +/- 0.63   0.001% *  2.2338% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.44 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 +/- 0.28  99.929% * 96.7689% (0.98   2.25  10.83) =  99.999%  kept
          HB2   ASN   28 - HA    VAL   83   9.70 +/- 0.67   0.058% *  0.7870% (0.90   0.02   0.76) =   0.000%
          HB2   ASP-  78 - HA    VAL   83  13.08 +/- 0.23   0.009% *  0.2440% (0.28   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    VAL   83  15.84 +/- 0.73   0.003% *  0.6372% (0.73   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    VAL   83  16.53 +/- 1.26   0.002% *  0.7027% (0.80   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    VAL   83  24.84 +/- 1.14   0.000% *  0.8602% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2383 (6.61, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 4.74, residual support = 87.2:
      O   HN    VAL   83 - HA    VAL   83   2.85 +/- 0.01  99.997% * 98.9844% (0.57   4.74  87.21) = 100.000%  kept
          HN    CYS   50 - HA    VAL   83  17.96 +/- 0.39   0.002% *  0.7122% (0.97   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   83  17.78 +/- 0.35   0.002% *  0.3034% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2384 (8.31, 3.81, 65.84 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.25, residual support = 10.8:
          HN    ASP-  86 - HA    VAL   83   3.10 +/- 0.08  99.927% * 97.0740% (0.95   2.25  10.83) = 100.000%  kept
          HN    GLN   30 - HA    VAL   83  12.22 +/- 0.58   0.028% *  0.8941% (0.98   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    VAL   83  11.50 +/- 0.59   0.040% *  0.5164% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    VAL   83  16.75 +/- 0.57   0.004% *  0.4090% (0.45   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    VAL   83  22.18 +/- 2.09   0.001% *  0.4799% (0.53   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    VAL   83  26.34 +/- 1.87   0.000% *  0.6266% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2385 (7.74, 3.81, 65.84 ppm):
    8 chemical-shift based assignments, quality = 0.726, support = 4.31, residual support = 17.9:
          HD1   TRP   87 - HA    VAL   83   3.48 +/- 0.14  99.049% * 97.6674% (0.73   4.31  17.88) =  99.997%  kept
          HN    TRP   27 - HA    VAL   83   9.44 +/- 0.65   0.278% *  0.5899% (0.95   0.02   4.45) =   0.002%
          HE3   TRP   87 - HA    VAL   83   8.18 +/- 0.13   0.599% *  0.1734% (0.28   0.02  17.88) =   0.001%
          HN    ALA   91 - HA    VAL   83  12.13 +/- 0.57   0.058% *  0.4034% (0.65   0.02   0.02) =   0.000%
          HN    THR   39 - HA    VAL   83  19.95 +/- 0.49   0.003% *  0.4766% (0.76   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    VAL   83  18.49 +/- 0.56   0.005% *  0.2127% (0.34   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    VAL   83  17.00 +/- 1.04   0.008% *  0.1234% (0.20   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    VAL   83  22.23 +/- 0.49   0.002% *  0.3531% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2386 (0.57, 3.77, 66.14 ppm):
    9 chemical-shift based assignments, quality = 0.401, support = 2.4, residual support = 10.6:
          QD2   LEU   80 - HA    VAL   24   2.47 +/- 0.35  84.325% * 71.9994% (0.41   2.45  10.63) =  94.609%  kept
          QD1   LEU   80 - HA    VAL   24   3.76 +/- 1.00  15.303% * 22.5834% (0.22   1.42  10.63) =   5.385%  kept
          QD1   LEU   73 - HA    VAL   24   6.58 +/- 0.19   0.308% *  1.1435% (0.80   0.02   0.02) =   0.005%
          QG2   VAL   41 - HA    VAL   24   9.22 +/- 0.29   0.040% *  0.5359% (0.38   0.02   0.02) =   0.000%
          QD2   LEU   98 - HA    VAL   24  10.23 +/- 0.45   0.021% *  0.3179% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   24  16.56 +/- 0.57   0.001% *  1.1435% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    VAL   24  18.07 +/- 0.71   0.001% *  1.3182% (0.92   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   24  17.47 +/- 0.64   0.001% *  0.3179% (0.22   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   24  21.19 +/- 0.46   0.000% *  0.6402% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2387 (2.11, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 65.5:
      O T HB    VAL   24 - HA    VAL   24   2.56 +/- 0.29  99.957% * 98.4936% (1.00   3.97  65.53) = 100.000%  kept
          QB    GLN   32 - HA    VAL   24   9.77 +/- 0.35   0.041% *  0.4920% (0.99   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    VAL   24  19.85 +/- 0.55   0.001% *  0.4306% (0.87   0.02   0.02) =   0.000%
        T HB2   PRO   68 - HA    VAL   24  23.85 +/- 0.32   0.000% *  0.4306% (0.87   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    VAL   24  20.73 +/- 0.47   0.000% *  0.0766% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    VAL   24  26.11 +/- 0.44   0.000% *  0.0766% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 24.6:
        T HB3   TRP   27 - HA    VAL   24   3.11 +/- 0.25  99.986% * 98.1491% (1.00   3.00  24.59) = 100.000%  kept
          HB2   PHE   97 - HA    VAL   24  18.03 +/- 0.46   0.003% *  0.6500% (0.99   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    VAL   24  17.44 +/- 1.28   0.004% *  0.4242% (0.65   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    VAL   24  18.22 +/- 0.56   0.003% *  0.3192% (0.49   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    VAL   24  18.44 +/- 0.43   0.003% *  0.2940% (0.45   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    VAL   24  19.67 +/- 0.71   0.002% *  0.1635% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2389 (9.22, 3.77, 66.14 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.34, residual support = 65.5:
      O   HN    VAL   24 - HA    VAL   24   2.81 +/- 0.01 100.000% *100.0000% (0.97   4.34  65.53) = 100.000%  kept
    Distance limit 3.80 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 = 0.783, support = 5.44, residual support = 28.0:
      O   HN    GLU-  25 - HA    VAL   24   3.57 +/- 0.01  48.649% * 65.8196% (0.92   5.63  35.90) =  64.767%  kept
          HN    ASN   28 - HA    VAL   24   3.54 +/- 0.22  51.323% * 33.9406% (0.53   5.09  13.43) =  35.233%  kept
          HN    ASP-  44 - HA    VAL   24  12.45 +/- 0.51   0.028% *  0.2398% (0.95   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 3.09, residual support = 24.6:
          HN    TRP   27 - HA    VAL   24   3.10 +/- 0.07  99.526% * 94.7563% (0.45   3.09  24.59) =  99.993%  kept
          HD1   TRP   87 - HA    VAL   24   7.65 +/- 0.30   0.454% *  1.3548% (0.99   0.02   0.02) =   0.007%
          HN    GLU-  36 - HA    VAL   24  15.30 +/- 0.34   0.007% *  1.1857% (0.87   0.02   0.02) =   0.000%
          HN    THR   39 - HA    VAL   24  17.27 +/- 0.19   0.003% *  1.3398% (0.98   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    VAL   24  17.70 +/- 1.03   0.003% *  0.9389% (0.69   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    VAL   24  16.17 +/- 0.72   0.005% *  0.2394% (0.18   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    VAL   24  21.10 +/- 0.41   0.001% *  0.1850% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 3.33, residual support = 65.5:
      O T QG1   VAL   24 - HB    VAL   24   2.10 +/- 0.01  99.989% * 96.8678% (0.98   3.33  65.53) = 100.000%  kept
          HB3   LEU   31 - HB    VAL   24  11.09 +/- 0.23   0.005% *  0.3358% (0.57   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  11.54 +/- 0.34   0.004% *  0.0803% (0.14   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  16.06 +/- 0.62   0.001% *  0.1846% (0.31   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  17.20 +/- 0.37   0.000% *  0.2548% (0.43   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  19.46 +/- 0.99   0.000% *  0.4307% (0.73   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  14.44 +/- 0.36   0.001% *  0.0475% (0.08   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  19.70 +/- 0.65   0.000% *  0.1986% (0.33   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  22.55 +/- 0.39   0.000% *  0.3439% (0.58   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  22.64 +/- 0.46   0.000% *  0.3509% (0.59   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  29.57 +/- 1.13   0.000% *  0.5931% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  26.94 +/- 1.04   0.000% *  0.3121% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 3.46, residual support = 65.5:
      O   QG2   VAL   24 - HB    VAL   24   2.14 +/- 0.00  99.996% * 97.9930% (1.00   3.46  65.53) = 100.000%  kept
          HG    LEU   63 - HB2   PRO   68  12.36 +/- 0.94   0.003% *  0.3293% (0.58   0.02   0.02) =   0.000%
          HG    LEU   63 - HB    VAL   24  23.41 +/- 1.34   0.000% *  0.5566% (0.98   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   PRO   68  21.58 +/- 0.31   0.000% *  0.3352% (0.59   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  17.20 +/- 0.37   0.000% *  0.0748% (0.13   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  19.46 +/- 0.99   0.000% *  0.1264% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   PRO   68  24.52 +/- 0.27   0.000% *  0.2173% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL   24  28.78 +/- 1.04   0.000% *  0.3674% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.833, support = 1.94, residual support = 6.5:
          QD2   LEU   80 - HB    VAL   24   2.87 +/- 0.83  39.192% * 59.7329% (0.80   2.45  10.63) =  51.085%  kept
          QG1   VAL   83 - HB    VAL   24   2.69 +/- 1.06  60.657% * 36.9555% (0.87   1.40   2.18) =  48.914%  kept
          QD1   LEU   73 - HB    VAL   24   8.60 +/- 0.42   0.092% *  0.2501% (0.41   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB2   PRO   68  11.55 +/- 0.36   0.021% *  0.1479% (0.24   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB    VAL   24  11.12 +/- 0.97   0.016% *  0.1517% (0.25   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   PRO   68  13.97 +/- 1.05   0.006% *  0.3472% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   PRO   68  13.31 +/- 0.15   0.009% *  0.1479% (0.24   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   PRO   68  15.94 +/- 0.75   0.003% *  0.2750% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   24  18.90 +/- 0.89   0.001% *  0.5870% (0.97   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   24  18.10 +/- 0.85   0.001% *  0.2501% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   PRO   68  20.35 +/- 0.88   0.001% *  0.2881% (0.47   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   PRO   68  21.47 +/- 0.70   0.001% *  0.3121% (0.51   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   24  22.47 +/- 0.93   0.000% *  0.4648% (0.76   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   PRO   68  20.41 +/- 0.32   0.001% *  0.0897% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2395 (3.77, 2.11, 32.16 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 65.5:
      O T HA    VAL   24 - HB    VAL   24   2.56 +/- 0.29  91.126% * 98.7587% (0.90   3.97  65.53) =  99.994%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.87 +/- 0.06   8.872% *  0.0575% (0.10   0.02  33.91) =   0.006%
          HA    LYS+  38 - HB2   PRO   68  16.35 +/- 0.55   0.002% *  0.2944% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  20.18 +/- 0.50   0.000% *  0.4977% (0.90   0.02   0.02) =   0.000%
        T HA    VAL   24 - HB2   PRO   68  23.85 +/- 0.32   0.000% *  0.2944% (0.53   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  26.43 +/- 0.61   0.000% *  0.0972% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 3.33, residual support = 65.5:
      O T HB    VAL   24 - QG1   VAL   24   2.10 +/- 0.01  99.987% * 97.6556% (0.92   3.33  65.53) = 100.000%  kept
          QB    GLN   32 - QG1   VAL   24   9.42 +/- 0.30   0.013% *  0.6128% (0.97   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QG1   VAL   24  18.60 +/- 0.75   0.000% *  0.4107% (0.65   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG1   VAL   24  18.52 +/- 1.03   0.000% *  0.1960% (0.31   0.02   0.02) =   0.000%
        T HB2   PRO   68 - QG1   VAL   24  22.55 +/- 0.39   0.000% *  0.6293% (0.99   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG1   VAL   24  18.58 +/- 1.31   0.000% *  0.1583% (0.25   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL   24  24.67 +/- 3.54   0.000% *  0.1414% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG1   VAL   24  23.87 +/- 0.93   0.000% *  0.1960% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 0.418, support = 5.69, residual support = 32.4:
          HN    GLU-  25 - HB    VAL   24   3.77 +/- 0.55  48.215% * 51.8462% (0.53   5.85  35.90) =  69.205%  kept
      O   HN    ASN   69 - HB2   PRO   68   3.80 +/- 0.19  46.150% * 20.8747% (0.20   6.14  28.17) =  26.670%  kept
          HN    ASN   28 - HB    VAL   24   5.32 +/- 0.16   5.606% * 26.5721% (0.92   1.71  13.43) =   4.124%
          HN    ASP-  44 - HB    VAL   24  14.30 +/- 0.99   0.018% *  0.1907% (0.57   0.02   0.02) =   0.000%
          HN    ASP-  44 - HB2   PRO   68  15.86 +/- 0.28   0.008% *  0.1128% (0.33   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  22.41 +/- 0.29   0.001% *  0.1839% (0.55   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  24.54 +/- 0.43   0.001% *  0.1149% (0.34   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  25.49 +/- 0.28   0.000% *  0.1048% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2398 (9.23, 2.11, 32.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 4.68, residual support = 65.5:
      O   HN    VAL   24 - HB    VAL   24   2.51 +/- 0.18 100.000% * 99.7480% (0.38   4.68  65.53) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  25.77 +/- 0.28   0.000% *  0.2520% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 65.5:
          HN    VAL   24 - QG1   VAL   24   2.04 +/- 0.28 100.000% *100.0000% (0.73   4.09  65.53) = 100.000%  kept
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2400 (8.80, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 6.15, residual support = 127.5:
      O   HN    GLU-  25 - HB2   GLU-  25   2.65 +/- 0.47  98.605% * 98.5382% (0.41   6.15 127.52) =  99.989%  kept
          HN    ASN   28 - HB2   GLU-  25   5.80 +/- 0.11   1.392% *  0.7635% (0.98   0.02   4.92) =   0.011%
          HN    ASP-  44 - HB2   GLU-  25  16.67 +/- 0.51   0.002% *  0.3492% (0.45   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   GLU-  25  24.17 +/- 0.51   0.000% *  0.3492% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2401 (8.80, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.92, residual support = 127.5:
      O   HN    GLU-  25 - HB3   GLU-  25   2.75 +/- 0.72  97.700% * 98.4815% (0.41   5.92 127.52) =  99.981%  kept
          HN    ASN   28 - HB3   GLU-  25   5.87 +/- 0.11   2.296% *  0.7930% (0.98   0.02   4.92) =   0.019%
          HN    ASP-  44 - HB3   GLU-  25  17.10 +/- 0.45   0.004% *  0.3627% (0.45   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   GLU-  25  24.53 +/- 0.70   0.000% *  0.3627% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 5.25, residual support = 29.5:
          HN    THR   26 - HB3   GLU-  25   3.20 +/- 0.09  99.997% * 98.7444% (0.34   5.25  29.47) = 100.000%  kept
          HN    LEU   71 - HB3   GLU-  25  18.54 +/- 0.62   0.003% *  0.8420% (0.76   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   GLU-  25  32.05 +/- 0.42   0.000% *  0.4135% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2403 (8.06, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.259, support = 1.58, residual support = 1.58:
          HN    SER   85 - HA    SER   82   3.74 +/- 0.04  97.627% * 86.2380% (0.26   1.59   1.58) =  99.951%  kept
          HN    GLN   32 - HA    GLU-  25   8.48 +/- 0.23   0.728% *  4.1933% (1.00   0.02   0.02) =   0.036%
          HN    LEU   80 - HA    SER   82   7.72 +/- 0.24   1.296% *  0.4193% (0.10   0.02   0.18) =   0.006%
          HN    LEU   80 - HA    GLU-  25  10.47 +/- 0.34   0.207% *  1.2943% (0.31   0.02   0.02) =   0.003%
          HN    ALA   34 - HA    GLU-  25  12.20 +/- 0.34   0.082% *  1.7239% (0.41   0.02   0.02) =   0.002%
          HN    SER   85 - HA    GLU-  25  13.75 +/- 0.63   0.041% *  3.3578% (0.80   0.02   0.02) =   0.002%
          HN    GLN   32 - HA    SER   82  17.36 +/- 0.69   0.010% *  1.3584% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   82  20.32 +/- 0.59   0.004% *  0.5585% (0.13   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    SER   82  20.59 +/- 0.48   0.004% *  0.2096% (0.05   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    GLU-  25  25.51 +/- 0.39   0.001% *  0.6470% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2404 (8.80, 4.18, 61.45 ppm):
    8 chemical-shift based assignments, quality = 0.495, support = 5.56, residual support = 109.4:
      O   HN    GLU-  25 - HA    GLU-  25   2.71 +/- 0.01  88.856% * 41.6773% (0.41   5.92 127.52) =  85.239%  kept
          HN    ASN   28 - HA    GLU-  25   3.85 +/- 0.13  11.102% * 57.7619% (0.98   3.44   4.92) =  14.761%  kept
          HN    ASN   28 - HA    SER   82  12.15 +/- 0.77   0.012% *  0.1087% (0.32   0.02   0.02) =   0.000%
          HN    GLU-  25 - HA    SER   82  10.84 +/- 0.91   0.026% *  0.0456% (0.13   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    GLU-  25  16.38 +/- 0.48   0.002% *  0.1535% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    SER   82  16.53 +/- 0.38   0.002% *  0.0497% (0.15   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    GLU-  25  23.79 +/- 0.34   0.000% *  0.1535% (0.45   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    SER   82  29.02 +/- 0.51   0.000% *  0.0497% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.535, support = 1.94, residual support = 4.87:
          HD21  ASN   28 - HA    GLU-  25   3.80 +/- 0.11  80.813% * 48.9663% (0.61   1.47   4.92) =  82.526%  kept
          HN    ALA   84 - HA    SER   82   4.88 +/- 0.08  18.402% * 45.5168% (0.20   4.21   4.67) =  17.468%  kept
          HE21  GLN   32 - HA    GLU-  25  10.33 +/- 1.59   0.387% *  0.2452% (0.22   0.02   0.02) =   0.002%
          HN    ALA   84 - HA    GLU-  25  11.82 +/- 0.38   0.092% *  0.6679% (0.61   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HA    GLU-  25  11.72 +/- 0.37   0.097% *  0.4527% (0.41   0.02   0.02) =   0.001%
          HD21  ASN   28 - HA    SER   82  11.76 +/- 0.91   0.106% *  0.2164% (0.20   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    SER   82  11.81 +/- 0.21   0.091% *  0.1467% (0.13   0.02   0.02) =   0.000%
          HN    LEU   63 - HA    GLU-  25  25.28 +/- 0.34   0.001% *  1.0915% (0.99   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    GLU-  25  27.40 +/- 0.41   0.001% *  1.0417% (0.95   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    SER   82  21.85 +/- 0.40   0.002% *  0.2164% (0.20   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    SER   82  23.66 +/- 0.42   0.001% *  0.3375% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    GLU-  25  27.30 +/- 0.45   0.001% *  0.6679% (0.61   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    SER   82  20.19 +/- 2.24   0.005% *  0.0794% (0.07   0.02   0.02) =   0.000%
          HN    LEU   63 - HA    SER   82  26.00 +/- 0.40   0.001% *  0.3536% (0.32   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2406 (2.92, 4.18, 61.45 ppm):
    16 chemical-shift based assignments, quality = 0.991, support = 1.4, residual support = 4.92:
          HB2   ASN   28 - HA    GLU-  25   3.13 +/- 0.19  98.035% * 92.5687% (0.99   1.40   4.92) =  99.992%  kept
          HB2   ASP-  86 - HA    SER   82   6.23 +/- 0.31   1.725% *  0.3140% (0.24   0.02   0.02) =   0.006%
          QE    LYS+  33 - HA    GLU-  25  10.93 +/- 1.60   0.077% *  1.3320% (1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HA    GLU-  25  12.36 +/- 0.63   0.028% *  0.9694% (0.73   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    GLU-  25  13.04 +/- 0.58   0.020% *  0.5010% (0.38   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    SER   82  12.84 +/- 0.88   0.023% *  0.4286% (0.32   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    SER   82  11.79 +/- 0.21   0.037% *  0.2623% (0.20   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  25  16.77 +/- 0.59   0.005% *  0.8097% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    GLU-  25  14.31 +/- 0.45   0.011% *  0.2642% (0.20   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    SER   82  11.91 +/- 0.30   0.035% *  0.0856% (0.06   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    SER   82  19.91 +/- 1.47   0.002% *  0.4315% (0.32   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  25  24.45 +/- 1.33   0.000% *  1.2323% (0.92   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    SER   82  20.30 +/- 0.81   0.001% *  0.1623% (0.12   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    SER   82  27.41 +/- 1.19   0.000% *  0.3992% (0.30   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  25  24.12 +/- 0.65   0.000% *  0.1807% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    SER   82  30.13 +/- 0.65   0.000% *  0.0585% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2407 (1.36, 4.18, 61.45 ppm):
    32 chemical-shift based assignments, quality = 0.265, support = 0.0165, residual support = 3.86:
          QB    ALA   84 - HA    SER   82   5.22 +/- 0.09  80.872% *  2.6264% (0.32   0.02   4.67) =  82.681%  kept
          HB3   LEU   80 - HA    SER   82   7.47 +/- 0.40   9.848% *  1.2898% (0.16   0.02   0.18) =   4.945%
          HB2   LEU   31 - HA    GLU-  25   8.51 +/- 0.32   4.450% *  2.7903% (0.34   0.02   0.02) =   4.833%
          HB3   LEU   80 - HA    GLU-  25   9.80 +/- 0.71   2.105% *  3.9817% (0.49   0.02   0.02) =   3.262%
          QB    ALA   84 - HA    GLU-  25  11.75 +/- 0.25   0.632% *  8.1077% (0.99   0.02   0.02) =   1.994%
          HB3   LEU   73 - HA    GLU-  25  11.51 +/- 0.63   0.751% *  3.3630% (0.41   0.02   0.02) =   0.983%
          HG3   LYS+  33 - HA    GLU-  25  12.79 +/- 1.83   0.635% *  2.2744% (0.28   0.02   0.02) =   0.562%
          HG    LEU   98 - HA    GLU-  25  16.91 +/- 0.97   0.076% *  7.7381% (0.95   0.02   0.02) =   0.230%
          HB3   ASP-  44 - HA    GLU-  25  19.57 +/- 0.45   0.030% *  5.9400% (0.73   0.02   0.02) =   0.068%
          HB3   LEU   73 - HA    SER   82  15.35 +/- 0.64   0.132% *  1.0894% (0.13   0.02   0.02) =   0.056%
          HG    LEU   98 - HA    SER   82  17.88 +/- 0.94   0.054% *  2.5067% (0.31   0.02   0.02) =   0.053%
          HB    VAL   42 - HA    GLU-  25  18.44 +/- 0.40   0.042% *  2.7903% (0.34   0.02   0.02) =   0.046%
          HB2   LEU   31 - HA    SER   82  15.43 +/- 0.60   0.129% *  0.9039% (0.11   0.02   0.02) =   0.045%
          HB3   PRO   93 - HA    SER   82  18.64 +/- 0.25   0.039% *  2.6440% (0.32   0.02   0.02) =   0.040%
          HB3   PRO   93 - HA    GLU-  25  22.97 +/- 0.46   0.011% *  8.1620% (1.00   0.02   0.02) =   0.036%
          HB3   ASP-  44 - HA    SER   82  18.71 +/- 0.32   0.039% *  1.9242% (0.24   0.02   0.02) =   0.029%
          HG3   LYS+ 106 - HA    GLU-  25  22.34 +/- 1.01   0.014% *  5.2918% (0.65   0.02   0.02) =   0.029%
          HG3   LYS+ 102 - HA    GLU-  25  22.04 +/- 1.55   0.016% *  3.6674% (0.45   0.02   0.02) =   0.023%
          HG3   LYS+ 106 - HA    SER   82  19.77 +/- 0.80   0.029% *  1.7142% (0.21   0.02   0.02) =   0.019%
          HB2   LEU   63 - HA    GLU-  25  23.75 +/- 0.58   0.009% *  4.9615% (0.61   0.02   0.02) =   0.018%
          HB    VAL   42 - HA    SER   82  21.02 +/- 0.40   0.019% *  0.9039% (0.11   0.02   0.02) =   0.007%
          QB    ALA  124 - HA    GLU-  25  29.69 +/- 0.68   0.002% *  7.0957% (0.87   0.02   0.02) =   0.007%
          HG3   LYS+  65 - HA    GLU-  25  25.91 +/- 1.12   0.006% *  2.7903% (0.34   0.02   0.02) =   0.006%
          HG3   LYS+ 102 - HA    SER   82  23.18 +/- 1.25   0.011% *  1.1880% (0.15   0.02   0.02) =   0.005%
          HB2   LEU   63 - HA    SER   82  24.35 +/- 0.58   0.008% *  1.6072% (0.20   0.02   0.02) =   0.005%
          HG3   LYS+  33 - HA    SER   82  22.20 +/- 1.69   0.016% *  0.7368% (0.09   0.02   0.02) =   0.005%
          HG2   LYS+ 111 - HA    SER   82  22.69 +/- 0.72   0.012% *  0.7368% (0.09   0.02   0.02) =   0.003%
          HG2   LYS+ 111 - HA    GLU-  25  29.19 +/- 0.63   0.003% *  2.2744% (0.28   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HA    GLU-  25  32.91 +/- 0.38   0.001% *  4.3037% (0.53   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HA    SER   82  27.99 +/- 0.40   0.003% *  1.3942% (0.17   0.02   0.02) =   0.002%
          QB    ALA  124 - HA    SER   82  31.49 +/- 0.53   0.002% *  2.2986% (0.28   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HA    SER   82  29.01 +/- 1.32   0.003% *  0.9039% (0.11   0.02   0.02) =   0.001%
    Distance limit 4.06 A violated in 20 structures by 1.16 A, eliminated.
    Peak unassigned.
 
    Peak 2408 (1.04, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.486, support = 0.017, residual support = 0.017:
          QG2   VAL  108 - HA    SER   82  15.68 +/- 0.97  58.366% *  7.4304% (0.30   0.02   0.02) =  44.859%  kept
          QG2   VAL  108 - HA    GLU-  25  20.92 +/- 1.04  10.270% * 22.9376% (0.92   0.02   0.02) =  24.368%  kept
          HB2   LEU  104 - HA    GLU-  25  22.07 +/- 0.54   7.705% * 19.8967% (0.80   0.02   0.02) =  15.858%  kept
          QD1   ILE  119 - HA    GLU-  25  25.43 +/- 0.33   3.261% * 12.0948% (0.49   0.02   0.02) =   4.079%
          HB2   LEU  104 - HA    SER   82  23.12 +/- 0.54   5.900% *  6.4453% (0.26   0.02   0.02) =   3.933%
          HG    LEU   63 - HA    GLU-  25  24.89 +/- 1.35   3.909% *  5.5320% (0.22   0.02   0.02) =   2.237%
          QD1   ILE  119 - HA    SER   82  24.19 +/- 0.30   4.389% *  3.9180% (0.16   0.02   0.02) =   1.779%
          HG3   LYS+ 112 - HA    GLU-  25  32.11 +/- 0.40   0.794% * 15.0711% (0.61   0.02   0.02) =   1.238%
          HG3   LYS+ 112 - HA    SER   82  27.47 +/- 0.36   2.023% *  4.8821% (0.20   0.02   0.02) =   1.021%
          HG    LEU   63 - HA    SER   82  25.36 +/- 0.77   3.383% *  1.7920% (0.07   0.02   0.02) =   0.627%
    Distance limit 4.47 A violated in 20 structures by 10.51 A, eliminated.
    Peak unassigned.
 
    Peak 2409 (2.22, 4.15, 66.74 ppm):
    9 chemical-shift based assignments, quality = 0.265, support = 2.46, residual support = 15.4:
          HB2   GLU-  29 - HA    THR   26   3.15 +/- 0.63  78.624% * 20.1875% (0.22   1.36   1.51) =  50.262%  kept
          HB2   GLU-  25 - HA    THR   26   4.34 +/- 0.44  21.335% * 73.6161% (0.31   3.57  29.47) =  49.737%  kept
          HB3   ASP-  76 - HA    THR   26  14.65 +/- 0.50   0.011% *  1.1995% (0.90   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    THR   26  15.40 +/- 0.63   0.008% *  1.1995% (0.90   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    THR   26  14.47 +/- 1.80   0.016% *  0.5498% (0.41   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    THR   26  19.47 +/- 0.71   0.002% *  1.2652% (0.95   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    THR   26  17.57 +/- 0.54   0.003% *  0.6510% (0.49   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    THR   26  23.49 +/- 0.54   0.001% *  0.9187% (0.69   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    THR   26  25.83 +/- 1.09   0.000% *  0.4128% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2410 (8.14, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.62, residual support = 28.5:
      O   HN    THR   26 - HA    THR   26   2.84 +/- 0.02  99.993% * 98.5735% (0.34   4.62  28.46) = 100.000%  kept
          HN    LEU   71 - HA    THR   26  14.19 +/- 0.47   0.007% *  0.9567% (0.76   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    THR   26  29.82 +/- 0.50   0.000% *  0.4698% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 0.538, support = 1.53, residual support = 4.34:
          HN    GLN   30 - HA    THR   26   3.97 +/- 0.20  25.246% * 82.4982% (0.69   1.83   5.67) =  67.960%  kept
          HN    GLU-  29 - HA    THR   26   3.28 +/- 0.12  74.737% * 13.1379% (0.22   0.90   1.51) =  32.039%  kept
          HN    GLU-  14 - HA    THR   26  16.07 +/- 1.82   0.007% *  1.2889% (0.98   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   26  15.75 +/- 0.55   0.006% *  0.7975% (0.61   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   26  18.13 +/- 0.56   0.003% *  1.0983% (0.84   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   26  22.39 +/- 2.19   0.001% *  1.1792% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 0.375, support = 2.25, residual support = 13.9:
          HN    THR   23 - HB    THR   26   3.32 +/- 0.14  98.525% * 91.7939% (0.38   2.25  13.95) =  99.965%  kept
          HD2   HIS   22 - HB    THR   26   6.75 +/- 0.47   1.455% *  2.1548% (0.99   0.02   0.02) =   0.035%
          HD21  ASN   35 - HB    THR   26  15.06 +/- 0.80   0.012% *  1.4934% (0.69   0.02   0.02) =   0.000%
          QE    PHE   95 - HB    THR   26  17.48 +/- 0.72   0.005% *  0.7416% (0.34   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB    THR   26  21.04 +/- 0.66   0.002% *  2.1548% (0.99   0.02   0.02) =   0.000%
          HN    LEU   67 - HB    THR   26  20.51 +/- 0.63   0.002% *  1.6615% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2413 (7.74, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 3.38, residual support = 20.1:
          HN    TRP   27 - HB    THR   26   2.88 +/- 0.12  99.967% * 97.4916% (0.84   3.38  20.13) = 100.000%  kept
          HD1   TRP   87 - HB    THR   26  12.15 +/- 0.49   0.018% *  0.5990% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB    THR   26  14.97 +/- 0.27   0.005% *  0.3361% (0.49   0.02   0.02) =   0.000%
          HN    THR   39 - HB    THR   26  16.67 +/- 0.51   0.003% *  0.6193% (0.90   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    THR   26  15.85 +/- 0.50   0.004% *  0.1209% (0.18   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   26  19.39 +/- 0.67   0.001% *  0.3361% (0.49   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    THR   26  20.09 +/- 0.75   0.001% *  0.2839% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB    THR   26  19.79 +/- 1.11   0.001% *  0.2131% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 4.05, residual support = 28.5:
      O   HN    THR   26 - HB    THR   26   2.22 +/- 0.08  99.999% * 99.8101% (0.80   4.05  28.46) = 100.000%  kept
          HN    LEU   71 - HB    THR   26  14.63 +/- 0.58   0.001% *  0.1899% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2415 (4.62, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.175, support = 0.749, residual support = 2.72:
          HA    CYS   21 - QG2   THR   26   2.59 +/- 0.41  99.095% * 81.7100% (0.18   0.75   2.72) =  99.885%  kept
          HA    ALA   20 - QG2   THR   26   5.76 +/- 0.49   0.857% * 10.7923% (0.87   0.02   0.02) =   0.114%
          HA    LEU   71 - QG2   THR   26   9.56 +/- 0.50   0.047% *  1.9197% (0.15   0.02   0.02) =   0.001%
          HA    LYS+ 102 - QG2   THR   26  16.87 +/- 0.52   0.002% *  5.5780% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2416 (2.07, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.851, support = 0.0187, residual support = 0.0187:
          HB2   GLU-  14 - QG2   THR   26  10.69 +/- 1.32  70.022% * 18.7520% (0.92   0.02   0.02) =  77.965%  kept
          HG2   MET   11 - QG2   THR   26  17.11 +/- 3.25   9.221% * 19.2160% (0.95   0.02   0.02) =  10.521%  kept
          HB2   PRO   93 - QG2   THR   26  15.89 +/- 0.55   7.073% * 12.3210% (0.61   0.02   0.02) =   5.175%  kept
          HG3   PRO   52 - QG2   THR   26  18.74 +/- 0.49   2.599% * 17.6208% (0.87   0.02   0.02) =   2.719%
          HG2   PRO   58 - QG2   THR   26  20.83 +/- 0.57   1.377% * 17.6208% (0.87   0.02   0.02) =   1.441%
          HB2   PRO   68 - QG2   THR   26  15.83 +/- 0.43   7.199% *  3.1343% (0.15   0.02   0.02) =   1.340%
          HB2   ARG+  54 - QG2   THR   26  21.26 +/- 0.79   1.195% *  6.2698% (0.31   0.02   0.02) =   0.445%
          HB    VAL  108 - QG2   THR   26  21.09 +/- 0.86   1.316% *  5.0653% (0.25   0.02   0.02) =   0.396%
    Distance limit 3.84 A violated in 20 structures by 6.44 A, eliminated.
    Peak unassigned.
 
    Peak 2417 (2.73, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 0.75, residual support = 5.67:
        T HG2   GLN   30 - QG2   THR   26   2.98 +/- 0.34  99.489% * 95.2595% (0.99   0.75   5.67) =  99.987%  kept
          HB3   ASN   28 - QG2   THR   26   7.35 +/- 0.15   0.508% *  2.4734% (0.97   0.02   0.02) =   0.013%
          QE    LYS+ 121 - QG2   THR   26  19.42 +/- 0.96   0.002% *  1.5545% (0.61   0.02   0.02) =   0.000%
          HB3   HIS  122 - QG2   THR   26  19.90 +/- 0.65   0.001% *  0.7126% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2419 (0.58, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.864, support = 2.28, residual support = 8.18:
          QD2   LEU   80 - HB3   TRP   27   3.59 +/- 0.62  53.757% * 49.3812% (0.80   2.44   6.04) =  67.952%  kept
          QD1   LEU   73 - HB3   TRP   27   4.07 +/- 0.28  25.498% * 49.0290% (1.00   1.94  12.74) =  32.001%  kept
          QG1   VAL   83 - HB3   TRP   27   4.46 +/- 0.75  20.715% *  0.0886% (0.18   0.02   4.45) =   0.047%
          QD1   LEU   63 - HB3   TRP   27  14.25 +/- 0.64   0.013% *  0.5059% (1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   TRP   27  15.62 +/- 0.64   0.007% *  0.2864% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   TRP   27  15.67 +/- 0.78   0.007% *  0.2864% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   TRP   27  19.12 +/- 0.48   0.002% *  0.4225% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 24.6:
        T HA    VAL   24 - HB3   TRP   27   3.11 +/- 0.25  99.553% * 98.9044% (0.76   3.00  24.59) =  99.999%  kept
          HA    VAL   83 - HB3   TRP   27   7.98 +/- 0.74   0.437% *  0.1168% (0.14   0.02   4.45) =   0.001%
        T HA    LYS+  38 - HB3   TRP   27  16.42 +/- 0.52   0.005% *  0.8457% (0.98   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB3   TRP   27  16.31 +/- 0.62   0.006% *  0.1331% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2421 (3.77, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.0, residual support = 24.6:
          HA    VAL   24 - HB2   TRP   27   2.00 +/- 0.08  99.999% * 99.1878% (0.97   3.00  24.59) = 100.000%  kept
          HA    LYS+  38 - HB2   TRP   27  16.54 +/- 0.66   0.000% *  0.5487% (0.80   0.02   0.02) =   0.000%
          HA    ALA   61 - HB2   TRP   27  19.22 +/- 0.48   0.000% *  0.0927% (0.14   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB2   TRP   27  22.33 +/- 0.31   0.000% *  0.1709% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 0.889, support = 2.49, residual support = 6.31:
          QD2   LEU   80 - HB2   TRP   27   3.57 +/- 0.40  54.643% * 46.5549% (0.98   2.63   6.04) =  78.652%  kept
          QG1   VAL   83 - HB2   TRP   27   3.87 +/- 0.63  39.511% * 11.4444% (0.38   1.69   4.45) =  13.981%  kept
          QD1   LEU   73 - HB2   TRP   27   5.11 +/- 0.19   5.825% * 40.9043% (0.90   2.52  12.74) =   7.367%  kept
          QD1   LEU   63 - HB2   TRP   27  15.48 +/- 0.62   0.008% *  0.3243% (0.90   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   TRP   27  16.10 +/- 0.58   0.006% *  0.3021% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   TRP   27  16.87 +/- 0.78   0.005% *  0.1116% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   TRP   27  20.33 +/- 0.45   0.001% *  0.3584% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 2.82, residual support = 17.7:
          QD1   LEU   31 - HA    ASN   28   3.40 +/- 0.20 100.000% *100.0000% (0.76   2.82  17.67) = 100.000%  kept
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2424 (4.03, 2.16, 36.74 ppm):
    8 chemical-shift based assignments, quality = 0.223, support = 4.05, residual support = 84.6:
      O T HA    GLU-  29 - HG3   GLU-  29   2.87 +/- 0.32  99.737% * 92.5250% (0.22   4.05  84.55) =  99.998%  kept
        T HA    LYS+  33 - HG3   GLU-  29   9.30 +/- 0.60   0.213% *  0.7007% (0.34   0.02   0.02) =   0.002%
          HB2   SER   37 - HG3   GLU-  29  13.91 +/- 1.23   0.021% *  1.9823% (0.97   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   GLU-  29  17.50 +/- 1.23   0.006% *  1.3288% (0.65   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   GLU-  29  16.06 +/- 1.39   0.012% *  0.4065% (0.20   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLU-  29  20.27 +/- 1.45   0.002% *  1.4110% (0.69   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLU-  29  14.00 +/- 1.23   0.009% *  0.3169% (0.15   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   GLU-  29  31.65 +/- 1.08   0.000% *  1.3288% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2425 (7.19, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.66, residual support = 97.8:
      O   HD1   TRP   27 - HB2   TRP   27   2.64 +/- 0.04  99.861% * 98.5334% (0.98   3.66  97.78) =  99.999%  kept
          HE21  GLN   30 - HB2   TRP   27   9.20 +/- 1.13   0.138% *  0.5075% (0.92   0.02   0.02) =   0.001%
          QD    PHE   59 - HB2   TRP   27  18.89 +/- 0.56   0.001% *  0.5389% (0.98   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   TRP   27  24.75 +/- 0.54   0.000% *  0.4202% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 5.3, residual support = 97.8:
      O   HN    TRP   27 - HB2   TRP   27   2.28 +/- 0.11  99.914% * 98.2071% (0.76   5.30  97.78) = 100.000%  kept
          HD1   TRP   87 - HB2   TRP   27   7.70 +/- 0.39   0.074% *  0.4475% (0.92   0.02   6.25) =   0.000%
          HN    GLU-  36 - HB2   TRP   27  13.63 +/- 0.44   0.002% *  0.2745% (0.57   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   TRP   27  15.39 +/- 0.39   0.001% *  0.4586% (0.95   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   TRP   27  11.43 +/- 0.39   0.007% *  0.0656% (0.14   0.02   6.25) =   0.000%
          HN    LYS+ 102 - HB2   TRP   27  16.21 +/- 1.07   0.001% *  0.1820% (0.38   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   TRP   27  16.50 +/- 0.64   0.001% *  0.1993% (0.41   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   27  20.06 +/- 0.50   0.000% *  0.1654% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2427 (8.81, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.3, residual support = 44.3:
          HN    ASN   28 - HB2   TRP   27   2.53 +/- 0.16  97.580% * 99.5398% (0.92   5.30  44.31) =  99.998%  kept
          HN    GLU-  25 - HB2   TRP   27   4.77 +/- 0.10   2.406% *  0.0628% (0.15   0.02   0.02) =   0.002%
          HN    ASP-  44 - HB2   TRP   27  11.37 +/- 0.57   0.014% *  0.0713% (0.18   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   TRP   27  20.37 +/- 0.27   0.000% *  0.3261% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2428 (7.33, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.14, residual support = 97.7:
      O   HE3   TRP   27 - HB3   TRP   27   2.78 +/- 0.17  93.688% * 97.4987% (0.76   4.14  97.78) =  99.959%  kept
          HN    THR   23 - HB3   TRP   27   4.47 +/- 0.34   6.074% *  0.6043% (0.98   0.02   1.64) =   0.040%
          HD2   HIS   22 - HB3   TRP   27   7.71 +/- 0.80   0.231% *  0.1373% (0.22   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   TRP   27  14.76 +/- 0.37   0.004% *  0.6110% (0.99   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   27  19.01 +/- 0.40   0.001% *  0.4235% (0.69   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   TRP   27  18.96 +/- 0.46   0.001% *  0.2103% (0.34   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   TRP   27  22.72 +/- 0.46   0.000% *  0.5149% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2429 (7.19, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.09, residual support = 97.8:
      O   HD1   TRP   27 - HB3   TRP   27   3.70 +/- 0.09  96.348% * 98.6864% (0.98   4.09  97.78) =  99.983%  kept
          HE21  GLN   30 - HB3   TRP   27   8.20 +/- 1.32   3.642% *  0.4546% (0.92   0.02   0.02) =   0.017%
          QD    PHE   59 - HB3   TRP   27  17.51 +/- 0.60   0.009% *  0.4827% (0.98   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB3   TRP   27  23.52 +/- 0.45   0.001% *  0.3763% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 5.61, residual support = 97.8:
      O   HN    TRP   27 - HB3   TRP   27   2.68 +/- 0.17  99.773% * 98.3053% (0.76   5.61  97.78) =  99.999%  kept
          HD1   TRP   87 - HB3   TRP   27   7.64 +/- 0.40   0.192% *  0.4230% (0.92   0.02   6.25) =   0.001%
          HN    THR   39 - HB3   TRP   27  15.06 +/- 0.29   0.003% *  0.4335% (0.95   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   TRP   27  13.90 +/- 0.23   0.005% *  0.2594% (0.57   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   TRP   27  11.11 +/- 0.34   0.021% *  0.0620% (0.14   0.02   6.25) =   0.000%
          HN    ALA   91 - HB3   TRP   27  15.73 +/- 0.58   0.003% *  0.1884% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   TRP   27  16.14 +/- 1.08   0.002% *  0.1720% (0.38   0.02   0.02) =   0.000%
          HN    ALA   61 - HB3   TRP   27  18.37 +/- 0.52   0.001% *  0.1563% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 44.3:
          HN    ASN   28 - HB3   TRP   27   3.90 +/- 0.05  99.993% * 99.4711% (0.65   5.76  44.31) = 100.000%  kept
          HN    ASN   69 - HB3   TRP   27  19.16 +/- 0.36   0.007% *  0.5289% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2432 (7.88, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.223, support = 3.63, residual support = 17.7:
          HN    LEU   31 - HA    ASN   28   3.24 +/- 0.09  99.913% * 95.1987% (0.22   3.63  17.67) =  99.999%  kept
          HN    LYS+  38 - HA    ASN   28  12.48 +/- 0.32   0.031% *  2.3071% (0.98   0.02   0.02) =   0.001%
          HN    SER   37 - HA    ASN   28  11.32 +/- 0.22   0.055% *  0.4122% (0.18   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ASN   28  25.98 +/- 0.60   0.000% *  1.4276% (0.61   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ASN   28  23.32 +/- 0.54   0.001% *  0.6544% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2433 (8.34, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 4.17, residual support = 6.57:
          HN    GLN   30 - HA    ASN   28   4.03 +/- 0.05  98.240% * 93.0164% (0.18   4.17   6.57) =  99.987%  kept
          HN    ASN   35 - HA    ASN   28   7.99 +/- 0.19   1.661% *  0.5676% (0.22   0.02   0.02) =   0.010%
          HN    LYS+  99 - HA    ASN   28  13.21 +/- 0.58   0.083% *  2.3534% (0.92   0.02   0.02) =   0.002%
          HN    GLU-  14 - HA    ASN   28  19.37 +/- 1.69   0.009% *  1.8512% (0.73   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    ASN   28  20.32 +/- 2.11   0.007% *  2.2114% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2434 (8.82, 2.93, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 6.21, residual support = 90.6:
      O   HN    ASN   28 - HB2   ASN   28   2.22 +/- 0.12  99.988% * 99.2581% (0.65   6.21  90.62) = 100.000%  kept
          HN    ASN   28 - HB2   ASN   35  10.36 +/- 0.65   0.011% *  0.0995% (0.20   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   35  17.03 +/- 0.69   0.001% *  0.1524% (0.31   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   28  22.03 +/- 0.27   0.000% *  0.4900% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 3.26, residual support = 90.6:
      O   HD22  ASN   28 - HB3   ASN   28   3.74 +/- 0.05  99.990% * 99.8440% (0.98   3.26  90.62) = 100.000%  kept
          QE    PHE   72 - HB3   ASN   28  17.25 +/- 0.28   0.010% *  0.1560% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 0.867, support = 3.26, residual support = 90.6:
      O   HD21  ASN   28 - HB3   ASN   28   2.76 +/- 0.10  99.922% * 98.5406% (0.87   3.26  90.62) =  99.999%  kept
          HZ2   TRP   87 - HB3   ASN   28   9.28 +/- 0.52   0.076% *  0.6839% (0.98   0.02   0.02) =   0.001%
          QE    PHE   60 - HB3   ASN   28  17.46 +/- 0.67   0.002% *  0.4793% (0.69   0.02   0.02) =   0.000%
          HN    LEU   63 - HB3   ASN   28  24.39 +/- 0.40   0.000% *  0.1740% (0.25   0.02   0.02) =   0.000%
          HN    ILE   56 - HB3   ASN   28  27.66 +/- 0.51   0.000% *  0.1222% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2437 (8.31, 2.73, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.484, support = 5.37, residual support = 29.3:
          HN    GLU-  29 - HB3   ASN   28   3.27 +/- 0.21  93.439% * 45.4610% (0.45   5.55  31.16) =  92.408%  kept
          HN    GLN   30 - HB3   ASN   28   5.11 +/- 0.11   6.525% * 53.4856% (0.92   3.17   6.57) =   7.592%  kept
          HN    ASP-  86 - HB3   ASN   28  13.40 +/- 0.68   0.023% *  0.3172% (0.87   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASN   28  15.36 +/- 0.66   0.010% *  0.2070% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASN   28  20.33 +/- 1.78   0.002% *  0.2928% (0.80   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASN   28  22.93 +/- 2.09   0.001% *  0.2365% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 6.07, residual support = 90.6:
      O   HN    ASN   28 - HB3   ASN   28   3.48 +/- 0.03  98.194% * 99.5984% (0.92   6.07  90.62) =  99.999%  kept
          HN    GLU-  25 - HB3   ASN   28   6.79 +/- 0.21   1.794% *  0.0548% (0.15   0.02   4.92) =   0.001%
          HN    ASP-  44 - HB3   ASN   28  15.93 +/- 0.58   0.011% *  0.0622% (0.18   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   ASN   28  21.84 +/- 0.31   0.002% *  0.2845% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 0.362, support = 0.0193, residual support = 6.33:
          HN    GLN   30 - HB2   ASN   28   4.89 +/- 0.09  93.784% *  7.8959% (0.38   0.02   6.57) =  96.440%  kept
          HN    LYS+  99 - HB2   ASN   35   9.35 +/- 0.53   2.092% *  6.5298% (0.31   0.02   0.02) =   1.779%
          HN    GLN   30 - HB2   ASN   35   8.53 +/- 0.60   3.578% *  2.4562% (0.12   0.02   0.02) =   1.145%
          HN    ASP-  86 - HB2   ASN   28  12.71 +/- 0.69   0.329% *  6.4934% (0.31   0.02   0.02) =   0.278%
          HN    LYS+  99 - HB2   ASN   28  16.19 +/- 0.60   0.075% * 20.9915% (1.00   0.02   0.02) =   0.205%
          HN    GLU-  14 - HB2   ASN   28  20.18 +/- 1.78   0.023% * 19.9013% (0.95   0.02   0.02) =   0.058%
          HE1   HIS  122 - HB2   ASN   35  18.87 +/- 2.33   0.034% *  6.5298% (0.31   0.02   0.02) =   0.029%
          HN    GLU-  14 - HB2   ASN   35  18.77 +/- 1.74   0.035% *  6.1907% (0.29   0.02   0.02) =   0.028%
          HE1   HIS  122 - HB2   ASN   28  22.98 +/- 2.09   0.010% * 20.9915% (1.00   0.02   0.02) =   0.027%
          HN    ASP-  86 - HB2   ASN   35  17.93 +/- 0.74   0.040% *  2.0199% (0.10   0.02   0.02) =   0.010%
    Distance limit 3.56 A violated in 20 structures by 1.33 A, eliminated.
    Peak unassigned.
 
    Peak 2440 (7.62, 2.93, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 3.4, residual support = 90.6:
      O   HD21  ASN   28 - HB2   ASN   28   2.33 +/- 0.08  99.949% * 97.6807% (0.61   3.40  90.62) = 100.000%  kept
          HZ2   TRP   87 - HB2   ASN   28   9.38 +/- 0.47   0.025% *  0.7584% (0.80   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASN   35  10.25 +/- 0.69   0.016% *  0.2359% (0.25   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   ASN   35  11.16 +/- 0.55   0.009% *  0.1787% (0.19   0.02   0.02) =   0.000%
          QE    PHE   60 - HB2   ASN   28  16.82 +/- 0.62   0.001% *  0.8743% (0.92   0.02   0.02) =   0.000%
          QE    PHE   60 - HB2   ASN   35  17.41 +/- 1.05   0.001% *  0.2720% (0.29   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2441 (8.33, 4.00, 59.66 ppm):
    15 chemical-shift based assignments, quality = 0.486, support = 5.85, residual support = 23.8:
      O   HN    GLN   30 - HA    GLU-  29   3.55 +/- 0.02  96.473% * 96.4264% (0.49   5.85  23.85) =  99.997%  kept
          HN    GLN   30 - HA    GLN   32   6.71 +/- 0.10   2.137% *  0.0739% (0.11   0.02   1.50) =   0.002%
          HN    GLN   30 - HA    LYS+  33   7.41 +/- 0.19   1.186% *  0.0905% (0.13   0.02   0.02) =   0.001%
          HN    LYS+  99 - HA    GLN   32  11.69 +/- 0.51   0.079% *  0.1465% (0.22   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  15.88 +/- 0.59   0.012% *  0.6539% (0.96   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  16.96 +/- 1.81   0.010% *  0.6715% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  13.25 +/- 0.44   0.037% *  0.1793% (0.26   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  14.17 +/- 1.68   0.032% *  0.1842% (0.27   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  16.67 +/- 0.57   0.009% *  0.2785% (0.41   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  22.51 +/- 1.98   0.002% *  0.6715% (0.99   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  18.27 +/- 1.67   0.006% *  0.1504% (0.22   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  19.89 +/- 2.17   0.004% *  0.1842% (0.27   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  20.50 +/- 2.19   0.003% *  0.1504% (0.22   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  17.46 +/- 0.51   0.007% *  0.0624% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  20.88 +/- 0.44   0.002% *  0.0764% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2442 (8.31, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.669, support = 5.5, residual support = 52.4:
          HN    GLN   30 - HB2   GLU-  29   3.57 +/- 0.39  33.243% * 68.8396% (0.90   5.60  23.85) =  53.048%  kept
      O   HN    GLU-  29 - HB2   GLU-  29   3.17 +/- 0.51  66.742% * 30.3482% (0.41   5.39  84.55) =  46.952%  kept
          HN    GLU-  14 - HB2   GLU-  29  15.38 +/- 1.79   0.008% *  0.2289% (0.84   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLU-  29  17.46 +/- 0.74   0.003% *  0.2289% (0.84   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  29  17.35 +/- 0.60   0.003% *  0.1662% (0.61   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  29  22.62 +/- 2.13   0.001% *  0.1882% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.56, support = 5.34, residual support = 66.0:
      O   HN    GLU-  29 - HB3   GLU-  29   2.52 +/- 0.57  80.808% * 34.4271% (0.41   5.59  84.55) =  69.389%  kept
          HN    GLN   30 - HB3   GLU-  29   3.28 +/- 0.29  19.090% * 64.2886% (0.90   4.79  23.85) =  30.611%  kept
          HN    GLN   30 - QB    GLU-  36   9.49 +/- 0.43   0.050% *  0.0832% (0.28   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   GLU-  29  15.78 +/- 2.01   0.005% *  0.2502% (0.84   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  36  10.44 +/- 0.47   0.028% *  0.0382% (0.13   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    GLU-  36  12.08 +/- 0.37   0.011% *  0.0563% (0.19   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    GLU-  36  15.09 +/- 1.54   0.005% *  0.0775% (0.26   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  29  16.69 +/- 0.97   0.001% *  0.2502% (0.84   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  29  17.31 +/- 0.58   0.001% *  0.1817% (0.61   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  29  22.50 +/- 2.07   0.000% *  0.2058% (0.69   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    GLU-  36  19.31 +/- 1.90   0.001% *  0.0637% (0.21   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    GLU-  36  20.42 +/- 0.57   0.000% *  0.0775% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2444 (2.44, 2.15, 30.32 ppm):
    16 chemical-shift based assignments, quality = 0.9, support = 4.43, residual support = 84.4:
      O T HG2   GLU-  29 - HB3   GLU-  29   2.92 +/- 0.23  27.703% * 94.1464% (0.99   4.45  84.55) =  90.413%  kept
      O T HG2   GLU-  36 - QB    GLU-  36   2.46 +/- 0.07  72.262% *  3.8270% (0.04   4.28  82.91) =   9.587%  kept
        T HG2   GLU-  29 - QB    GLU-  36   9.52 +/- 0.55   0.024% *  0.1311% (0.31   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB3   GLU-  29  16.10 +/- 1.02   0.001% *  0.4231% (0.99   0.02   0.02) =   0.000%
        T HG2   GLU-  36 - HB3   GLU-  29  11.58 +/- 1.15   0.007% *  0.0578% (0.14   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB3   GLU-  29  18.23 +/- 0.74   0.000% *  0.2417% (0.57   0.02   0.02) =   0.000%
          HG3   MET   96 - HB3   GLU-  29  17.27 +/- 0.98   0.001% *  0.1187% (0.28   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    GLU-  36  19.21 +/- 0.73   0.000% *  0.1311% (0.31   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    GLU-  36  16.53 +/- 0.66   0.001% *  0.0368% (0.09   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   GLU-  29  25.75 +/- 0.46   0.000% *  0.2933% (0.69   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB3   GLU-  29  26.60 +/- 0.50   0.000% *  0.2417% (0.57   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLU-  36  21.91 +/- 0.49   0.000% *  0.0749% (0.18   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  29  23.32 +/- 0.58   0.000% *  0.0845% (0.20   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    GLU-  36  24.34 +/- 0.69   0.000% *  0.0909% (0.21   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLU-  36  26.06 +/- 0.54   0.000% *  0.0749% (0.18   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLU-  36  22.34 +/- 0.35   0.000% *  0.0262% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.02, residual support = 0.02:
          QD    LYS+  33 - HA    GLN   30   4.18 +/- 0.85  99.880% * 23.5232% (0.95   0.02   0.02) =  99.946%  kept
          HD2   LYS+  74 - HA    GLN   30  14.29 +/- 0.44   0.100% *  9.3329% (0.38   0.02   0.02) =   0.040%
          QB    ALA   57 - HA    GLN   30  19.44 +/- 0.43   0.016% * 17.0813% (0.69   0.02   0.02) =   0.011%
          HB3   LEU  123 - HA    GLN   30  27.91 +/- 0.60   0.002% * 23.5232% (0.95   0.02   0.02) =   0.002%
          HD3   LYS+ 111 - HA    GLN   30  29.49 +/- 0.37   0.001% * 18.0571% (0.73   0.02   0.02) =   0.001%
          HG3   ARG+  54 - HA    GLN   30  28.15 +/- 0.51   0.002% *  8.4823% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.16 A violated in 10 structures by 0.33 A, eliminated.
    Peak unassigned.
 
    Peak 2446 (0.83, 3.84, 58.37 ppm):
    5 chemical-shift based assignments, quality = 0.154, support = 0.02, residual support = 0.02:
          QD1   LEU   71 - HA    GLN   30   4.59 +/- 0.48  99.943% *  8.2693% (0.15   0.02   0.02) =  99.855%  kept
          HB3   LEU  104 - HA    GLN   30  18.04 +/- 0.45   0.032% * 22.0331% (0.41   0.02   0.02) =   0.084%
          QD2   LEU  123 - HA    GLN   30  23.63 +/- 0.54   0.006% * 48.0646% (0.90   0.02   0.02) =   0.036%
          HG3   LYS+ 121 - HA    GLN   30  22.74 +/- 0.69   0.008% * 13.3638% (0.25   0.02   0.02) =   0.013%
          QD1   LEU  123 - HA    GLN   30  21.28 +/- 0.56   0.012% *  8.2693% (0.15   0.02   0.02) =   0.012%
    Distance limit 4.39 A violated in 12 structures by 0.31 A, eliminated.
    Peak unassigned.
 
    Peak 2447 (8.31, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 6.47, residual support = 154.2:
      O   HN    GLN   30 - HA    GLN   30   2.84 +/- 0.00  97.450% * 99.0095% (0.98   6.47 154.16) =  99.995%  kept
          HN    GLU-  29 - HA    GLN   30   5.22 +/- 0.07   2.525% *  0.1767% (0.57   0.02  23.85) =   0.005%
          HN    GLU-  14 - HA    GLN   30  13.22 +/- 1.70   0.014% *  0.2144% (0.69   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   30  13.87 +/- 0.54   0.007% *  0.1399% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   30  17.37 +/- 0.48   0.002% *  0.2952% (0.95   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   30  18.56 +/- 1.97   0.001% *  0.1642% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2448 (8.31, 2.04, 28.09 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 6.64, residual support = 154.2:
      O   HN    GLN   30 - HB2   GLN   30   2.94 +/- 0.67  97.627% * 99.0343% (0.98   6.64 154.16) =  99.996%  kept
          HN    GLU-  29 - HB2   GLN   30   5.55 +/- 0.75   2.302% *  0.1723% (0.57   0.02  23.85) =   0.004%
          HN    GLU-  14 - HB2   GLN   30  14.06 +/- 1.86   0.031% *  0.2090% (0.69   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLN   30  12.92 +/- 0.72   0.027% *  0.1364% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLN   30  15.41 +/- 0.77   0.007% *  0.2878% (0.95   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLN   30  16.86 +/- 1.92   0.006% *  0.1601% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2449 (8.32, 1.89, 28.09 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.89, residual support = 154.2:
      O   HN    GLN   30 - HB3   GLN   30   2.70 +/- 0.58  98.101% * 98.4336% (0.65   6.89 154.16) =  99.998%  kept
          HN    GLU-  29 - HB3   GLN   30   5.27 +/- 0.68   1.858% *  0.0874% (0.20   0.02  23.85) =   0.002%
          HN    LYS+  99 - HB3   GLN   30  12.90 +/- 0.82   0.021% *  0.3832% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   GLN   30  14.35 +/- 1.65   0.011% *  0.4379% (0.99   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLN   30  17.04 +/- 2.17   0.005% *  0.4078% (0.92   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLN   30  15.07 +/- 0.72   0.005% *  0.2501% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 0.647, support = 7.14, residual support = 154.2:
          HN    GLN   30 - HG2   GLN   30   3.13 +/- 0.15  95.865% * 98.4871% (0.65   7.14 154.16) =  99.996%  kept
          HN    GLU-  29 - HG2   GLN   30   5.31 +/- 0.22   4.086% *  0.0844% (0.20   0.02  23.85) =   0.004%
          HN    GLU-  14 - HG2   GLN   30  12.66 +/- 1.71   0.035% *  0.4229% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   GLN   30  15.32 +/- 0.63   0.008% *  0.3701% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   GLN   30  18.73 +/- 1.93   0.003% *  0.3939% (0.92   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG2   GLN   30  17.08 +/- 0.60   0.004% *  0.2416% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2451 (7.19, 2.73, 33.78 ppm):
    4 chemical-shift based assignments, quality = 0.856, support = 0.0197, residual support = 152.1:
      O   HE21  GLN   30 - HG2   GLN   30   4.15 +/- 0.01  98.866% * 24.4353% (0.87   0.02 154.16) =  98.698%  kept
          HD1   TRP   27 - HG2   GLN   30   8.82 +/- 0.41   1.122% * 28.1073% (1.00   0.02   0.02) =   1.289%
          QD    PHE   59 - HG2   GLN   30  19.02 +/- 0.35   0.011% * 28.1073% (1.00   0.02   0.02) =   0.012%
          HH2   TRP   49 - HG2   GLN   30  28.21 +/- 0.34   0.001% * 19.3501% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 20 structures by 0.18 A, eliminated.
    Peak unassigned.
 
    Peak 2452 (7.19, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 3.37, residual support = 154.1:
      O   HE21  GLN   30 - HG3   GLN   30   3.72 +/- 0.04  95.307% * 97.5460% (0.87   3.37 154.16) =  99.990%  kept
          HD1   TRP   27 - HG3   GLN   30   8.17 +/- 0.63   1.037% *  0.6667% (1.00   0.02   0.02) =   0.007%
          QD    PHE   59 - HB2   PRO   93   6.88 +/- 0.31   2.485% *  0.0520% (0.08   0.02   0.02) =   0.001%
          QD    PHE   59 - HB2   LYS+ 111   8.65 +/- 0.48   0.642% *  0.1340% (0.20   0.02   0.02) =   0.001%
          HH2   TRP   49 - HB2   PRO   93   9.09 +/- 0.27   0.456% *  0.0358% (0.05   0.02   0.02) =   0.000%
          QD    PHE   59 - HG3   GLN   30  17.88 +/- 0.68   0.008% *  0.6667% (1.00   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   LYS+ 111  13.39 +/- 0.51   0.045% *  0.0923% (0.14   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   PRO   93  17.73 +/- 0.50   0.008% *  0.0520% (0.08   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   PRO   93  17.89 +/- 0.83   0.008% *  0.0452% (0.07   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG3   GLN   30  26.72 +/- 0.68   0.001% *  0.4590% (0.69   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 111  23.96 +/- 0.63   0.001% *  0.1340% (0.20   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   LYS+ 111  24.51 +/- 0.49   0.001% *  0.1165% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2453 (8.32, 2.03, 33.78 ppm):
    18 chemical-shift based assignments, quality = 0.647, support = 6.07, residual support = 154.1:
          HN    GLN   30 - HG3   GLN   30   3.52 +/- 0.45  94.633% * 97.6551% (0.65   6.07 154.16) =  99.994%  kept
          HN    GLU-  29 - HG3   GLN   30   5.71 +/- 0.65   5.193% *  0.0984% (0.20   0.02  23.85) =   0.006%
          HN    GLU-  14 - HG3   GLN   30  13.16 +/- 1.56   0.055% *  0.4929% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   GLN   30  14.96 +/- 0.68   0.021% *  0.4314% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   GLN   30  17.87 +/- 2.30   0.009% *  0.4591% (0.92   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   GLN   30  16.09 +/- 0.73   0.013% *  0.2816% (0.57   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   LYS+ 111  14.62 +/- 0.66   0.023% *  0.0923% (0.19   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   PRO   93  14.59 +/- 0.70   0.024% *  0.0358% (0.07   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   PRO   93  15.91 +/- 0.24   0.013% *  0.0219% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   LYS+ 111  20.13 +/- 0.35   0.003% *  0.0867% (0.17   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   LYS+ 111  20.69 +/- 0.39   0.003% *  0.0566% (0.11   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   PRO   93  19.86 +/- 0.19   0.003% *  0.0336% (0.07   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   PRO   93  20.32 +/- 0.41   0.003% *  0.0251% (0.05   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   LYS+ 111  27.00 +/- 0.29   0.001% *  0.0647% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   PRO   93  25.41 +/- 1.30   0.001% *  0.0384% (0.08   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+ 111  32.17 +/- 1.32   0.000% *  0.0991% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   PRO   93  21.68 +/- 0.48   0.002% *  0.0077% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   LYS+ 111  28.56 +/- 0.40   0.000% *  0.0198% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2454 (0.81, 1.89, 28.09 ppm):
    5 chemical-shift based assignments, quality = 0.178, support = 4.54, residual support = 39.3:
          HG    LEU   31 - HB3   GLN   30   4.37 +/- 0.50  38.023% * 79.7172% (0.15   5.82  51.17) =  74.659%  kept
          QD2   LEU   73 - HB3   GLN   30   3.92 +/- 0.42  61.969% * 16.6015% (0.25   0.75   4.49) =  25.340%  kept
          HG3   LYS+ 121 - HB3   GLN   30  21.33 +/- 0.83   0.002% *  1.7403% (0.98   0.02   0.02) =   0.000%
        T QD1   ILE   56 - HB3   GLN   30  18.96 +/- 0.23   0.004% *  0.8642% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  123 - HB3   GLN   30  22.56 +/- 0.68   0.002% *  1.0769% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2455 (0.59, 1.89, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.81, residual support = 4.49:
          QD1   LEU   73 - HB3   GLN   30   2.27 +/- 0.16  99.877% * 96.5083% (0.87   2.81   4.49) =  99.999%  kept
          QD2   LEU   80 - HB3   GLN   30   8.10 +/- 0.77   0.067% *  0.7842% (0.99   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB3   GLN   30   8.62 +/- 0.89   0.049% *  0.3253% (0.41   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   GLN   30  13.32 +/- 0.87   0.003% *  0.6863% (0.87   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB3   GLN   30  13.58 +/- 0.63   0.002% *  0.6863% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   GLN   30  14.42 +/- 0.85   0.002% *  0.2200% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   GLN   30  19.12 +/- 0.59   0.000% *  0.7895% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2456 (0.82, 2.04, 28.09 ppm):
    3 chemical-shift based assignments, quality = 0.691, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HB2   GLN   30  22.40 +/- 0.78  19.623% * 54.6388% (0.97   0.02   0.02) =  42.326%  kept
          HG3   LYS+ 121 - HB2   GLN   30  21.23 +/- 0.98  27.208% * 36.6255% (0.65   0.02   0.02) =  39.338%  kept
          QD1   ILE   56 - HB2   GLN   30  18.95 +/- 0.38  53.169% *  8.7356% (0.15   0.02   0.02) =  18.335%  kept
    Distance limit 3.84 A violated in 20 structures by 13.21 A, eliminated.
    Peak unassigned.
 
    Peak 2457 (0.59, 2.04, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 1.39, residual support = 4.49:
          QD1   LEU   73 - HB2   GLN   30   2.28 +/- 0.29  99.849% * 93.1818% (0.87   1.39   4.49) =  99.998%  kept
          QD2   LEU   80 - HB2   GLN   30   8.38 +/- 0.99   0.095% *  1.5314% (0.99   0.02   0.02) =   0.002%
          QG1   VAL   83 - HB2   GLN   30   8.93 +/- 0.77   0.048% *  0.6352% (0.41   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   GLN   30  13.28 +/- 0.75   0.003% *  1.3402% (0.87   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB2   GLN   30  13.50 +/- 0.93   0.003% *  1.3402% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   GLN   30  14.29 +/- 1.26   0.002% *  0.4296% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   GLN   30  19.06 +/- 0.71   0.000% *  1.5416% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2458 (3.85, 2.03, 33.78 ppm):
    27 chemical-shift based assignments, quality = 0.647, support = 4.6, residual support = 154.1:
      O T HA    GLN   30 - HG3   GLN   30   3.44 +/- 0.35  87.425% * 95.7703% (0.65   4.60 154.16) =  99.995%  kept
          HB2   CYS   53 - HB2   PRO   93   5.08 +/- 0.35  10.009% *  0.0125% (0.02   0.02   0.02) =   0.001%
          QB    SER   13 - HG3   GLN   30  13.45 +/- 2.63   0.159% *  0.5157% (0.80   0.02   0.02) =   0.001%
          HB    THR   39 - HG3   GLN   30  10.30 +/- 0.81   0.148% *  0.4922% (0.76   0.02   0.02) =   0.001%
        T HD3   PRO   52 - HB2   PRO   93   7.15 +/- 0.21   1.208% *  0.0364% (0.06   0.02   4.02) =   0.001%
          HB3   SER   37 - HG3   GLN   30  10.75 +/- 0.70   0.107% *  0.3906% (0.61   0.02   0.02) =   0.001%
          HB    THR  118 - HB2   LYS+ 111   8.13 +/- 0.51   0.569% *  0.0323% (0.05   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   GLN   30  14.81 +/- 1.18   0.017% *  0.6383% (0.99   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   PRO   93   9.42 +/- 0.28   0.227% *  0.0304% (0.05   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   LYS+ 111  13.48 +/- 0.45   0.026% *  0.0785% (0.12   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   LYS+ 111  13.98 +/- 0.39   0.022% *  0.0940% (0.15   0.02   0.02) =   0.000%
          HA    ILE   89 - HG3   GLN   30  18.28 +/- 0.64   0.004% *  0.3906% (0.61   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   PRO   93  12.30 +/- 0.27   0.046% *  0.0125% (0.02   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   LYS+ 111  14.61 +/- 0.27   0.016% *  0.0323% (0.05   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLN   30  19.88 +/- 0.76   0.003% *  0.1606% (0.25   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   GLN   30  24.16 +/- 0.69   0.001% *  0.4677% (0.73   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   GLN   30  21.77 +/- 0.72   0.002% *  0.1606% (0.25   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   PRO   93  18.69 +/- 0.39   0.004% *  0.0497% (0.08   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   LYS+ 111  25.61 +/- 0.41   0.001% *  0.1283% (0.20   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   LYS+ 111  25.20 +/- 0.40   0.001% *  0.0989% (0.15   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   PRO   93  21.05 +/- 0.44   0.002% *  0.0325% (0.05   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   PRO   93  21.66 +/- 0.41   0.002% *  0.0384% (0.06   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   PRO   93  24.19 +/- 1.95   0.001% *  0.0402% (0.06   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   LYS+ 111  27.45 +/- 0.33   0.000% *  0.0837% (0.13   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   LYS+ 111  28.12 +/- 0.63   0.000% *  0.0785% (0.12   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   PRO   93  24.31 +/- 0.63   0.001% *  0.0304% (0.05   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   LYS+ 111  30.15 +/- 1.58   0.000% *  0.1037% (0.16   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2459 (6.74, 0.00, 23.44 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.27, residual support = 14.5:
          HZ2   TRP   27 - QD1   LEU   31   2.41 +/- 0.18  99.993% * 99.7203% (0.87   1.27  14.48) = 100.000%  kept
          HZ    PHE   72 - QD1   LEU   31  12.43 +/- 0.65   0.007% *  0.2797% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.33 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 = 0.764, support = 0.75, residual support = 2.24:
          HZ2   TRP   87 - QD1   LEU   31   3.05 +/- 0.12  98.612% * 90.2723% (0.76   0.75   2.24) =  99.960%  kept
          HD21  ASN   28 - QD1   LEU   31   6.46 +/- 0.28   1.175% *  2.9077% (0.92   0.02  17.67) =   0.038%
          HN    ALA   84 - QD1   LEU   31   9.00 +/- 0.38   0.154% *  0.8758% (0.28   0.02   0.02) =   0.002%
          QE    PHE   60 - QD1   LEU   31  11.34 +/- 0.84   0.048% *  0.6234% (0.20   0.02   0.02) =   0.000%
          HN    LEU   63 - QD1   LEU   31  15.99 +/- 0.68   0.005% *  2.4073% (0.76   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU   31  18.98 +/- 0.57   0.002% *  2.0377% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   31  17.20 +/- 0.48   0.003% *  0.8758% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2461 (7.82, 0.00, 23.44 ppm):
    3 chemical-shift based assignments, quality = 0.789, support = 0.0199, residual support = 0.0199:
          HN    ALA   88 - QD1   LEU   31  10.33 +/- 0.25  47.956% * 52.6698% (0.97   0.02   0.02) =  72.115%  kept
          HN    ASP- 105 - QD1   LEU   31  10.22 +/- 0.45  51.270% * 18.6164% (0.34   0.02   0.02) =  27.250%  kept
          HN    PHE   55 - QD1   LEU   31  20.54 +/- 0.57   0.774% * 28.7138% (0.53   0.02   0.02) =   0.635%
    Distance limit 4.67 A violated in 20 structures by 4.46 A, eliminated.
    Peak unassigned.
 
    Peak 2462 (7.86, 0.79, 27.16 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 7.53, residual support = 231.9:
          HN    LEU   31 - HG    LEU   31   2.44 +/- 0.14  99.988% * 99.1224% (0.67   7.53 231.90) = 100.000%  kept
          HN    LYS+  38 - HG    LEU   31  11.27 +/- 0.36   0.012% *  0.2039% (0.52   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG    LEU   31  21.02 +/- 0.90   0.000% *  0.2827% (0.72   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG    LEU   31  24.27 +/- 0.65   0.000% *  0.3124% (0.79   0.02   0.02) =   0.000%
          HN    PHE   55 - HG    LEU   31  25.05 +/- 0.65   0.000% *  0.0786% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 7.05, residual support = 231.9:
      O   HN    LEU   31 - HB3   LEU   31   3.54 +/- 0.01  99.607% * 98.2257% (0.34   7.05 231.90) =  99.997%  kept
          HN    LYS+  38 - HB3   LEU   31   8.94 +/- 0.30   0.391% *  0.8147% (1.00   0.02   0.02) =   0.003%
          HN    ASP-  62 - HB3   LEU   31  21.89 +/- 0.71   0.002% *  0.3357% (0.41   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB3   LEU   31  26.09 +/- 0.60   0.001% *  0.6240% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2464 (8.07, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.9, residual support = 44.6:
          HN    GLN   32 - HB3   LEU   31   3.77 +/- 0.09  88.053% * 98.9374% (0.76   5.91  44.62) =  99.950%  kept
          HN    ALA   34 - HB3   LEU   31   5.28 +/- 0.12  11.905% *  0.3662% (0.84   0.02   4.96) =   0.050%
          HN    LEU   80 - HB3   LEU   31  15.41 +/- 0.65   0.020% *  0.3184% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   LEU   31  15.17 +/- 0.43   0.021% *  0.1646% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   LEU   31  24.37 +/- 0.56   0.001% *  0.2134% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2465 (4.14, 1.33, 40.94 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 2.54, residual support = 17.7:
        T HA    ASN   28 - HB2   LEU   31   2.76 +/- 0.19  99.367% * 94.9139% (0.73   2.54  17.67) =  99.994%  kept
          HA1   GLY  101 - HB2   LEU   31   8.44 +/- 1.83   0.294% *  1.0207% (0.99   0.02   0.02) =   0.003%
        T HA    ALA   34 - HB2   LEU   31   7.93 +/- 0.11   0.193% *  0.9236% (0.90   0.02   4.96) =   0.002%
          HA    THR   26 - HB2   LEU   31   8.24 +/- 0.15   0.145% *  0.7870% (0.76   0.02   0.02) =   0.001%
          HA    LEU  115 - HB2   LEU   31  22.59 +/- 0.53   0.000% *  0.7870% (0.76   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   LEU   31  25.40 +/- 0.50   0.000% *  1.0207% (0.99   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   LEU   31  23.45 +/- 0.51   0.000% *  0.1589% (0.15   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   LEU   31  26.86 +/- 0.61   0.000% *  0.2293% (0.22   0.02   0.02) =   0.000%
        T HA    ALA  124 - HB2   LEU   31  27.61 +/- 0.98   0.000% *  0.1589% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 7.05, residual support = 231.9:
      O   HN    LEU   31 - HB2   LEU   31   2.55 +/- 0.04  99.970% * 98.2257% (0.34   7.05 231.90) = 100.000%  kept
          HN    LYS+  38 - HB2   LEU   31   9.88 +/- 0.27   0.030% *  0.8147% (1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   LEU   31  22.66 +/- 0.60   0.000% *  0.3357% (0.41   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   LEU   31  26.44 +/- 0.55   0.000% *  0.6240% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 0.764, support = 5.91, residual support = 44.6:
          HN    GLN   32 - HB2   LEU   31   2.64 +/- 0.11  98.828% * 98.9375% (0.76   5.91  44.62) =  99.996%  kept
          HN    ALA   34 - HB2   LEU   31   5.58 +/- 0.09   1.165% *  0.3662% (0.84   0.02   4.96) =   0.004%
          HN    LEU   80 - HB2   LEU   31  14.56 +/- 0.61   0.004% *  0.3184% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   LEU   31  14.89 +/- 0.47   0.003% *  0.1645% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   LEU   31  24.70 +/- 0.51   0.000% *  0.2134% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 7.05, residual support = 231.9:
      O   HN    LEU   31 - HA    LEU   31   2.77 +/- 0.03  99.819% * 98.2257% (0.34   7.05 231.90) =  99.998%  kept
          HN    LYS+  38 - HA    LEU   31   7.96 +/- 0.29   0.180% *  0.8147% (1.00   0.02   0.02) =   0.001%
          HN    ASP-  62 - HA    LEU   31  20.40 +/- 0.55   0.001% *  0.3357% (0.41   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU   31  25.34 +/- 0.47   0.000% *  0.6240% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 0.791, support = 4.32, residual support = 29.6:
      O   HN    GLN   32 - HA    LEU   31   3.61 +/- 0.01  34.334% * 75.4045% (0.76   5.91  44.62) =  62.101%  kept
          HN    ALA   34 - HA    LEU   31   3.24 +/- 0.09  65.656% * 24.0647% (0.84   1.72   4.96) =  37.899%  kept
          HN    LEU   80 - HA    LEU   31  15.63 +/- 0.56   0.005% *  0.2427% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LEU   31  16.31 +/- 0.40   0.004% *  0.1254% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    LEU   31  23.82 +/- 0.42   0.000% *  0.1627% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 0.464, support = 0.0191, residual support = 1.32:
          QD1   LEU   73 - HA    LEU   31   4.35 +/- 0.55  97.220% * 10.4319% (0.49   0.02   1.38) =  95.425%  kept
          QG1   VAL   83 - HA    LEU   31   9.44 +/- 0.48   1.220% * 17.1611% (0.80   0.02   0.02) =   1.969%
          QD2   LEU   80 - HA    LEU   31  10.12 +/- 0.67   0.772% * 18.5904% (0.87   0.02   0.02) =   1.350%
          QD1   LEU  104 - HA    LEU   31  10.81 +/- 0.55   0.531% * 21.2420% (0.99   0.02   0.02) =   1.062%
          QD1   LEU   63 - HA    LEU   31  13.69 +/- 0.63   0.122% * 10.4319% (0.49   0.02   0.02) =   0.120%
          QG2   ILE   89 - HA    LEU   31  13.69 +/- 0.34   0.120% *  4.2413% (0.20   0.02   0.02) =   0.048%
          QD2   LEU  115 - HA    LEU   31  19.14 +/- 0.58   0.016% * 17.9012% (0.84   0.02   0.02) =   0.027%
    Distance limit 4.22 A violated in 11 structures by 0.32 A, eliminated.
    Peak unassigned.
 
    Peak 2472 (7.73, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.526, support = 3.21, residual support = 17.9:
          HD1   TRP   87 - QG2   VAL   83   1.96 +/- 0.45  99.474% * 95.6761% (0.53   3.21  17.88) =  99.995%  kept
          HN    TRP   27 - QG2   VAL   83   6.12 +/- 0.34   0.333% *  1.1343% (1.00   0.02   4.45) =   0.004%
          HE3   TRP   87 - QG2   VAL   83   5.92 +/- 0.47   0.171% *  0.5086% (0.45   0.02  17.88) =   0.001%
          HN    ALA   91 - QG2   VAL   83   9.83 +/- 0.69   0.018% *  0.9475% (0.84   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   VAL   83  14.64 +/- 0.53   0.001% *  0.6422% (0.57   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   VAL   83  16.30 +/- 0.45   0.001% *  0.8669% (0.76   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   VAL   83  13.80 +/- 0.52   0.002% *  0.2245% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 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  14.58 +/- 0.57 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.47 A violated in 20 structures by 11.12 A, eliminated.
    Peak unassigned.
 
    Peak 2474 (7.17, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.513, support = 0.0193, residual support = 0.0193:
          HE21  GLN   30 - QG2   VAL   42   8.55 +/- 0.91  35.964% * 30.1124% (0.67   0.02   0.02) =  48.967%  kept
          QD    PHE   59 - QG2   VAL   42   7.75 +/- 0.36  59.934% * 17.5479% (0.39   0.02   0.02) =  47.555%  kept
          HD1   TRP   27 - QG2   VAL   42  12.26 +/- 0.59   3.816% * 17.5479% (0.39   0.02   0.02) =   3.028%
          HH2   TRP   49 - QG2   VAL   42  18.90 +/- 0.45   0.286% * 34.7918% (0.77   0.02   0.02) =   0.450%
    Distance limit 3.70 A violated in 20 structures by 3.45 A, eliminated.
    Peak unassigned.
 
    Peak 2475 (0.98, 0.15, 20.83 ppm):
    8 chemical-shift based assignments, quality = 0.765, support = 0.323, residual support = 1.97:
          QD2   LEU   40 - QG2   VAL   42   2.58 +/- 0.76  61.043% * 78.6714% (0.79   0.34   2.04) =  96.398%  kept
          QD1   LEU   67 - QG2   VAL   42   2.77 +/- 0.41  36.943% *  4.7225% (0.80   0.02   0.02) =   3.502%
          QD2   LEU   71 - QG2   VAL   42   6.73 +/- 0.62   1.489% *  2.3038% (0.39   0.02   0.94) =   0.069%
          QG2   ILE  103 - QG2   VAL   42   6.88 +/- 0.73   0.150% *  4.6911% (0.79   0.02   0.02) =   0.014%
          HG3   LYS+  74 - QG2   VAL   42  11.08 +/- 1.17   0.062% *  4.4772% (0.76   0.02   0.02) =   0.006%
        T HB    VAL   75 - QG2   VAL   42   9.84 +/- 0.85   0.119% *  2.3038% (0.39   0.02   0.02) =   0.006%
          QD1   ILE  103 - QG2   VAL   42   7.63 +/- 0.40   0.146% *  1.7764% (0.30   0.02   0.02) =   0.005%
          QG2   ILE  119 - QG2   VAL   42   8.91 +/- 0.26   0.049% *  1.0537% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.38 A violated in 2 structures by 0.13 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2476 (6.75, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.0, residual support = 14.5:
        T HZ2   TRP   27 - QD2   LEU   31   3.22 +/- 0.19  82.909% * 99.9661% (0.99   4.00  14.48) =  99.993%  kept
        T HZ2   TRP   27 - QG2   VAL   43   4.47 +/- 0.58  17.091% *  0.0339% (0.07   0.02   9.03) =   0.007%
    Distance limit 3.65 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 = 0.897, support = 3.21, residual support = 51.2:
          HE22  GLN   30 - QD2   LEU   31   3.94 +/- 0.05  94.199% * 99.1235% (0.90   3.21  51.17) =  99.997%  kept
          HE22  GLN   30 - QG2   VAL   43   6.39 +/- 0.44   5.578% *  0.0419% (0.06   0.02   0.02) =   0.003%
          HD22  ASN   69 - QD2   LEU   31  13.54 +/- 1.40   0.075% *  0.4461% (0.65   0.02   0.02) =   0.000%
          HN    TRP   49 - QD2   LEU   31  18.25 +/- 0.42   0.010% *  0.3356% (0.49   0.02   0.02) =   0.000%
          HN    TRP   49 - QG2   VAL   43  12.75 +/- 0.38   0.083% *  0.0227% (0.03   0.02   0.02) =   0.000%
          HD22  ASN   69 - QG2   VAL   43  13.79 +/- 0.83   0.055% *  0.0302% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2478 (4.68, 0.06, 21.48 ppm):
    6 chemical-shift based assignments, quality = 0.499, support = 3.0, residual support = 61.1:
      O T HA    VAL   43 - QG2   VAL   43   2.30 +/- 0.12  99.706% * 97.5800% (0.50   3.00  61.11) =  99.999%  kept
          HA    HIS   22 - QG2   VAL   43   7.84 +/- 0.43   0.071% *  0.8879% (0.68   0.02   0.02) =   0.001%
        T HA    VAL   43 - QD2   LEU   31   6.59 +/- 0.44   0.199% *  0.1867% (0.14   0.02   0.02) =   0.000%
          HA    HIS   22 - QD2   LEU   31   9.84 +/- 0.47   0.017% *  0.2548% (0.20   0.02   0.02) =   0.000%
          HA    ASN   69 - QG2   VAL   43  13.49 +/- 0.51   0.003% *  0.8475% (0.65   0.02   0.02) =   0.000%
          HA    ASN   69 - QD2   LEU   31  12.56 +/- 0.59   0.004% *  0.2432% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 0.441, support = 1.49, residual support = 9.92:
          HZ3   TRP   27 - QG2   VAL   43   2.69 +/- 0.86  65.349% * 73.1201% (0.50   1.42   9.03) =  83.687%  kept
        T HZ3   TRP   27 - QD2   LEU   31   3.25 +/- 0.36  34.651% * 26.8799% (0.14   1.82  14.48) =  16.313%  kept
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2480 (8.05, 2.39, 33.78 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 4.42, residual support = 43.4:
          HN    GLN   32 - QG    GLN   32   3.30 +/- 0.69  92.737% * 99.2625% (0.92   4.42  43.42) =  99.991%  kept
          HN    ALA   34 - QG    GLN   32   5.67 +/- 0.41   7.249% *  0.1082% (0.22   0.02   0.02) =   0.009%
          HN    SER   85 - QG    GLN   32  17.61 +/- 1.48   0.005% *  0.4691% (0.97   0.02   0.02) =   0.000%
          HN    LEU   80 - QG    GLN   32  16.55 +/- 1.34   0.007% *  0.0750% (0.15   0.02   0.02) =   0.000%
          HN    THR   94 - QG    GLN   32  20.50 +/- 1.04   0.002% *  0.0851% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2481 (8.05, 2.11, 27.95 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 4.34, residual support = 43.4:
      O   HN    GLN   32 - QB    GLN   32   2.19 +/- 0.12  99.331% * 99.2488% (0.92   4.34  43.42) =  99.999%  kept
          HN    ALA   34 - QB    GLN   32   5.10 +/- 0.15   0.668% *  0.1102% (0.22   0.02   0.02) =   0.001%
          HN    SER   85 - QB    GLN   32  16.92 +/- 0.60   0.000% *  0.4779% (0.97   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    GLN   32  15.62 +/- 0.50   0.001% *  0.0764% (0.15   0.02   0.02) =   0.000%
          HN    THR   94 - QB    GLN   32  19.76 +/- 0.35   0.000% *  0.0867% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 0.216, support = 5.87, residual support = 63.0:
      O   HN    GLU-  29 - HA    GLU-  29   2.74 +/- 0.03  81.658% * 26.6071% (0.14   5.89  84.55) =  64.535%  kept
      O   HN    GLN   30 - HA    GLU-  29   3.55 +/- 0.02  17.413% * 68.5508% (0.36   5.85  23.85) =  35.457%  kept
          HN    GLN   30 - HA    GLN   32   6.71 +/- 0.10   0.386% *  0.3603% (0.55   0.02   1.50) =   0.004%
          HN    GLN   30 - HA    LYS+  33   7.41 +/- 0.19   0.213% *  0.3707% (0.57   0.02   0.02) =   0.002%
          HN    GLU-  29 - HA    GLN   32   7.36 +/- 0.13   0.221% *  0.1389% (0.21   0.02   0.02) =   0.001%
          HN    GLU-  29 - HA    LYS+  33   8.91 +/- 0.28   0.071% *  0.1429% (0.22   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   32  11.69 +/- 0.51   0.015% *  0.3267% (0.50   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  14.17 +/- 1.68   0.006% *  0.4274% (0.65   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  13.25 +/- 0.44   0.007% *  0.3362% (0.51   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  16.96 +/- 1.81   0.002% *  0.2703% (0.41   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  15.88 +/- 0.59   0.002% *  0.2126% (0.32   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  18.27 +/- 1.67   0.001% *  0.4153% (0.63   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  17.46 +/- 0.51   0.001% *  0.3267% (0.50   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  16.67 +/- 0.57   0.002% *  0.2126% (0.32   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  19.89 +/- 2.17   0.001% *  0.3707% (0.57   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  20.50 +/- 2.19   0.001% *  0.3603% (0.55   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  20.88 +/- 0.44   0.000% *  0.3362% (0.51   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  22.51 +/- 1.98   0.000% *  0.2345% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2485 (8.04, 4.00, 59.42 ppm):
    12 chemical-shift based assignments, quality = 0.389, support = 4.17, residual support = 43.4:
      O   HN    GLN   32 - HA    GLN   32   2.73 +/- 0.01  83.878% * 95.8229% (0.39   4.17  43.42) =  99.937%  kept
          HN    GLN   32 - HA    GLU-  29   3.68 +/- 0.15  14.502% *  0.2993% (0.25   0.02   0.02) =   0.054%
          HN    GLN   32 - HA    LYS+  33   5.28 +/- 0.03   1.615% *  0.4732% (0.40   0.02  13.37) =   0.010%
          HN    SER   85 - HA    GLU-  29  17.52 +/- 0.57   0.001% *  0.4880% (0.41   0.02   0.02) =   0.000%
          HN    SER   85 - HA    GLN   32  18.94 +/- 0.53   0.001% *  0.7498% (0.63   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LYS+  33  22.01 +/- 0.45   0.000% *  0.7716% (0.65   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLN   32  21.47 +/- 0.42   0.000% *  0.3953% (0.33   0.02   0.02) =   0.000%
          HN    THR   94 - HA    LYS+  33  22.76 +/- 0.29   0.000% *  0.4068% (0.34   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLU-  29  21.20 +/- 0.33   0.000% *  0.2573% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLU-  29  18.24 +/- 0.35   0.001% *  0.0816% (0.07   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLN   32  21.24 +/- 0.49   0.000% *  0.1253% (0.11   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    LYS+  33  22.72 +/- 0.37   0.000% *  0.1290% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 0.687, support = 5.86, residual support = 156.5:
      O   HN    LYS+  33 - HA    LYS+  33   2.85 +/- 0.01  76.021% * 98.6204% (0.69   5.87 156.51) =  99.972%  kept
      O   HN    LYS+  33 - HA    GLN   32   3.56 +/- 0.02  20.214% *  0.0865% (0.18   0.02  13.37) =   0.023%
          HN    LYS+  33 - HA    GLU-  29   4.76 +/- 0.25   3.746% *  0.0939% (0.19   0.02   0.02) =   0.005%
          HN    CYS   21 - HA    LYS+  33  15.29 +/- 0.37   0.003% *  0.4390% (0.90   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    GLU-  29  12.47 +/- 0.26   0.011% *  0.1226% (0.25   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    GLN   32  15.45 +/- 0.45   0.003% *  0.1129% (0.23   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    LYS+  33  22.62 +/- 0.38   0.000% *  0.1221% (0.25   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    LYS+  33  26.36 +/- 0.25   0.000% *  0.2195% (0.45   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLU-  29  19.41 +/- 0.46   0.001% *  0.0341% (0.07   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN   32  19.76 +/- 0.50   0.001% *  0.0314% (0.06   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLN   32  26.37 +/- 0.40   0.000% *  0.0564% (0.12   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLU-  29  28.29 +/- 0.37   0.000% *  0.0613% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 0.341, support = 0.0192, residual support = 0.0192:
          HE3   TRP   27 - QB    LYS+  33   8.75 +/- 0.46  93.195% *  5.4417% (0.14   0.02   0.02) =  69.464%  kept
          QD    PHE   60 - QB    LYS+  33  14.95 +/- 0.48   4.020% * 37.1179% (0.92   0.02   0.02) =  20.436%  kept
          HN    LYS+  81 - QB    LYS+  33  18.49 +/- 0.48   1.100% * 39.4132% (0.98   0.02   0.02) =   5.939%  kept
          HN    LYS+  66 - QB    LYS+  33  17.37 +/- 0.67   1.685% * 18.0271% (0.45   0.02   0.02) =   4.161%
    Distance limit 4.07 A violated in 20 structures by 4.61 A, eliminated.
    Peak unassigned.
 
    Peak 2488 (7.95, 1.86, 32.27 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.78, residual support = 156.5:
      O   HN    LYS+  33 - QB    LYS+  33   2.23 +/- 0.29  99.993% * 99.7348% (0.97   5.78 156.51) = 100.000%  kept
          HN    CYS   21 - QB    LYS+  33  11.63 +/- 0.34   0.007% *  0.2026% (0.57   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    LYS+  33  22.68 +/- 0.48   0.000% *  0.0627% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 0.923, support = 5.94, residual support = 48.2:
          HN    ALA   34 - QB    LYS+  33   2.73 +/- 0.21  94.747% * 99.1436% (0.92   5.94  48.18) =  99.987%  kept
          HN    GLN   32 - QB    LYS+  33   4.61 +/- 0.30   5.250% *  0.2341% (0.65   0.02  13.37) =   0.013%
          HN    LEU   80 - QB    LYS+  33  16.46 +/- 0.49   0.002% *  0.3022% (0.84   0.02   0.02) =   0.000%
          HN    SER   85 - QB    LYS+  33  18.68 +/- 0.43   0.001% *  0.1006% (0.28   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    LYS+  33  24.17 +/- 0.40   0.000% *  0.2195% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2490 (8.63, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.39, support = 0.02, residual support = 0.02:
          HN    GLY   16 - QB    LYS+  33  10.95 +/- 0.88  82.350% *  8.4971% (0.20   0.02   0.02) =  58.847%  kept
          HN    ILE  103 - QB    LYS+  33  15.42 +/- 0.50  11.353% * 24.3087% (0.57   0.02   0.02) =  23.208%  kept
          HN    SER   82 - QB    LYS+  33  18.20 +/- 0.56   4.292% * 34.3809% (0.80   0.02   0.02) =  12.409%  kept
          HN    GLN   90 - QB    LYS+  33  20.62 +/- 0.67   2.006% * 32.8133% (0.76   0.02   0.02) =   5.536%  kept
    Distance limit 4.26 A violated in 20 structures by 6.32 A, eliminated.
    Peak unassigned.
 
    Peak 2491 (4.02, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 0.525, support = 5.64, residual support = 156.3:
      O   HA    LYS+  33 - HG2   LYS+  33   3.72 +/- 0.33  74.788% * 94.3586% (0.53   5.65 156.51) =  99.844%  kept
          HB2   SER   37 - HG2   LYS+  33   5.55 +/- 1.49  18.685% *  0.5303% (0.84   0.02   0.02) =   0.140%
          HA    GLU-  29 - HG2   LYS+  33   7.06 +/- 1.08   2.508% *  0.2383% (0.38   0.02   0.02) =   0.008%
          HB2   SER   82 - QG    LYS+  81   6.54 +/- 0.70   3.413% *  0.0845% (0.13   0.02  12.72) =   0.004%
          HA    VAL   70 - HG2   LYS+  33   9.62 +/- 1.44   0.377% *  0.5303% (0.84   0.02   0.02) =   0.003%
          HA    VAL   18 - HG2   LYS+  33  11.55 +/- 0.94   0.102% *  0.2166% (0.34   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+  33  13.25 +/- 1.19   0.048% *  0.3091% (0.49   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+ 106  14.78 +/- 0.77   0.021% *  0.3216% (0.51   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   LYS+ 106  16.40 +/- 0.59   0.012% *  0.3216% (0.51   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    LYS+  81  17.06 +/- 0.43   0.009% *  0.1141% (0.18   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   LYS+ 106  20.56 +/- 0.86   0.003% *  0.3216% (0.51   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+ 106  18.49 +/- 0.81   0.006% *  0.1314% (0.21   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    LYS+  81  17.58 +/- 0.36   0.007% *  0.1037% (0.16   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+  33  20.09 +/- 1.24   0.003% *  0.1765% (0.28   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   LYS+ 106  21.17 +/- 1.05   0.003% *  0.2026% (0.32   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    LYS+  81  22.26 +/- 0.28   0.002% *  0.2539% (0.40   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+ 106  19.96 +/- 1.47   0.004% *  0.1071% (0.17   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   LYS+ 106  21.56 +/- 1.30   0.002% *  0.1445% (0.23   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    LYS+  81  21.59 +/- 0.39   0.002% *  0.1599% (0.25   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+ 106  22.53 +/- 1.01   0.002% *  0.1874% (0.30   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+  33  26.92 +/- 1.25   0.001% *  0.5303% (0.84   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    LYS+  81  24.02 +/- 0.73   0.001% *  0.2539% (0.40   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    LYS+  81  24.42 +/- 0.51   0.001% *  0.2539% (0.40   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  81  23.95 +/- 0.42   0.001% *  0.1480% (0.23   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2492 (0.79, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.979, support = 0.02, residual support = 114.1:
        T QD1   ILE   56 - QG2   ILE   56   3.16 +/- 0.04  99.861% * 28.4642% (0.98   0.02 114.22) =  99.921%  kept
          QD2   LEU   73 - QG2   ILE   56  10.63 +/- 0.41   0.072% * 23.2528% (0.80   0.02   0.02) =   0.058%
          HG3   LYS+ 121 - QG2   ILE   56  13.94 +/- 0.57   0.014% * 21.0868% (0.73   0.02   0.02) =   0.010%
          QD2   LEU  123 - QG2   ILE   56  12.38 +/- 0.31   0.028% *  3.9300% (0.14   0.02   0.02) =   0.004%
          HG    LEU   31 - QG2   ILE   56  16.47 +/- 0.52   0.005% * 18.7856% (0.65   0.02   0.02) =   0.003%
        T QG1   VAL   41 - QG2   ILE   56  13.04 +/- 0.26   0.020% *  4.4806% (0.15   0.02   0.02) =   0.003%
    Distance limit 3.04 A violated in 16 structures by 0.12 A, eliminated.
    Peak unassigned.
 
    Peak 2493 (4.17, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 0.02, residual support = 0.02:
        T HA    CYS   53 - QG2   ILE   56   2.06 +/- 0.17  99.991% * 29.1279% (0.99   0.02   0.02) =  99.997%  kept
          HA    GLU- 114 - QG2   ILE   56  10.33 +/- 0.14   0.007% *  7.3280% (0.25   0.02   0.02) =   0.002%
        T HA    ILE   19 - QG2   ILE   56  13.59 +/- 0.21   0.001% * 24.5469% (0.84   0.02   0.02) =   0.001%
          HA    THR   26 - QG2   ILE   56  18.77 +/- 0.44   0.000% * 16.6381% (0.57   0.02   0.02) =   0.000%
          HA    GLU-  25 - QG2   ILE   56  20.25 +/- 0.29   0.000% * 17.8247% (0.61   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   ILE   56  18.73 +/- 0.85   0.000% *  4.5344% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2494 (4.45, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.725, support = 1.54, residual support = 9.52:
          HA    ALA  110 - QG2   ILE   56   3.60 +/- 0.11  81.061% * 12.7398% (0.65   0.75   6.90) =  71.378%  kept
          HA    PHE   55 - QG2   ILE   56   5.76 +/- 0.02   4.793% * 86.0650% (0.92   3.53  16.13) =  28.514%  kept
          HA    THR   46 - QG2   ILE   56   4.89 +/- 0.26  13.833% *  0.1046% (0.20   0.02   0.02) =   0.100%
          HA    VAL   42 - QG2   ILE   56  10.36 +/- 0.25   0.143% *  0.4232% (0.80   0.02   0.02) =   0.004%
          HA    GLN   90 - QG2   ILE   56  10.61 +/- 0.47   0.128% *  0.4039% (0.76   0.02   0.02) =   0.004%
          HA    GLN   17 - QG2   ILE   56  12.82 +/- 0.35   0.040% *  0.1318% (0.25   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   ILE   56  22.27 +/- 0.40   0.001% *  0.1318% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 1 structures by 0.01 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   9.85 +/- 0.23 100.000% *100.0000% (0.73   0.02   0.02) = 100.000%  kept
    Distance limit 3.27 A violated in 20 structures by 6.59 A, eliminated.
    Peak unassigned.
 
    Peak 2496 (7.40, 1.27, 17.92 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.66, residual support = 25.5:
          HN    ALA   57 - QG2   ILE   56   3.51 +/- 0.04  99.502% * 98.9918% (0.92   4.66  25.51) =  99.998%  kept
          HE21  GLN  116 - QG2   ILE   56   9.24 +/- 1.25   0.388% *  0.3994% (0.87   0.02   0.02) =   0.002%
          HN    ALA  120 - QG2   ILE   56  11.76 +/- 0.18   0.071% *  0.2241% (0.49   0.02   0.02) =   0.000%
          HE21  GLN   90 - QG2   ILE   56  13.17 +/- 0.89   0.039% *  0.3846% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2497 (7.60, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 6.3, residual support = 114.2:
          HN    ILE   56 - QG2   ILE   56   2.85 +/- 0.04  97.136% * 98.4503% (0.65   6.30 114.22) =  99.996%  kept
          HN    LYS+ 111 - QG2   ILE   56   5.74 +/- 0.12   1.468% *  0.1344% (0.28   0.02   2.31) =   0.002%
          HN    LEU   63 - QG2   ILE   56   7.30 +/- 0.22   0.354% *  0.3695% (0.76   0.02   0.02) =   0.001%
          QE    PHE   60 - QG2   ILE   56   6.12 +/- 0.22   1.027% *  0.0957% (0.20   0.02   2.15) =   0.001%
          HZ2   TRP   87 - QG2   ILE   56  14.78 +/- 0.28   0.005% *  0.3695% (0.76   0.02   0.02) =   0.000%
          HN    ALA   84 - QG2   ILE   56  13.71 +/- 0.28   0.008% *  0.1344% (0.28   0.02   0.02) =   0.000%
          HD21  ASN   28 - QG2   ILE   56  20.49 +/- 0.52   0.001% *  0.4463% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2498 (3.86, 1.28, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.796, support = 2.53, residual support = 7.24:
        T HB    THR   39 - QB    ALA   34   3.09 +/- 0.45  78.134% * 71.6763% (0.80   2.63   7.75) =  93.155%  kept
          HB3   SER   37 - QB    ALA   34   4.19 +/- 0.46  15.921% * 25.7372% (0.69   1.11   0.28) =   6.816%  kept
          HA    GLN   30 - QB    ALA   34   4.92 +/- 0.29   5.899% *  0.2955% (0.44   0.02   0.30) =   0.029%
          QB    SER   13 - QB    ALA   34  12.49 +/- 1.76   0.030% *  0.5603% (0.83   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   34  15.61 +/- 0.61   0.005% *  0.6016% (0.89   0.02   0.02) =   0.000%
          HA    ILE   89 - QB    ALA   34  16.13 +/- 0.27   0.004% *  0.4639% (0.69   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   34  15.60 +/- 0.22   0.005% *  0.2278% (0.34   0.02   0.02) =   0.000%
          HD3   PRO   52 - QB    ALA   34  22.43 +/- 0.24   0.001% *  0.3437% (0.51   0.02   0.02) =   0.000%
          HB2   CYS   53 - QB    ALA   34  19.00 +/- 0.35   0.002% *  0.0937% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2499 (3.63, 1.28, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.651, support = 0.75, residual support = 4.96:
          HA    LEU   31 - QB    ALA   34   2.59 +/- 0.17 100.000% *100.0000% (0.65   0.75   4.96) = 100.000%  kept
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2500 (0.77, 1.28, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.749, support = 2.96, residual support = 9.31:
        T QG1   VAL   41 - QB    ALA   34   1.87 +/- 0.09  99.102% * 97.1548% (0.75   2.96   9.31) =  99.994%  kept
          QD2   LEU   73 - QB    ALA   34   4.58 +/- 0.39   0.545% *  0.6299% (0.72   0.02   0.02) =   0.004%
          HG    LEU   31 - QB    ALA   34   5.46 +/- 0.38   0.206% *  0.7262% (0.83   0.02   4.96) =   0.002%
          QG1   VAL   43 - QB    ALA   34   5.89 +/- 0.91   0.139% *  0.5089% (0.58   0.02   0.02) =   0.001%
        T QG2   VAL   18 - QB    ALA   34   9.57 +/- 0.51   0.006% *  0.3234% (0.37   0.02   0.02) =   0.000%
          QG2   THR   46 - QB    ALA   34  13.00 +/- 0.45   0.001% *  0.2428% (0.28   0.02   0.02) =   0.000%
        T QD1   ILE   56 - QB    ALA   34  15.93 +/- 0.20   0.000% *  0.4139% (0.47   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2501 (8.38, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.616, support = 3.28, residual support = 18.4:
          HN    ASN   35 - QB    ALA   34   2.86 +/- 0.08  99.918% * 98.5865% (0.62   3.28  18.37) = 100.000%  kept
          HN    PHE   97 - QB    ALA   34   9.52 +/- 0.22   0.076% *  0.2701% (0.28   0.02   0.02) =   0.000%
          HN    ALA   12 - QB    ALA   34  16.42 +/- 2.31   0.004% *  0.8732% (0.89   0.02   0.02) =   0.000%
          HN    LEU  115 - QB    ALA   34  18.72 +/- 0.18   0.001% *  0.2701% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 3.85, residual support = 26.2:
      O   HN    ALA   34 - QB    ALA   34   2.07 +/- 0.08  99.994% * 98.4273% (0.58   3.85  26.17) = 100.000%  kept
          HN    THR   26 - QB    ALA   34  10.93 +/- 0.28   0.005% *  0.2199% (0.25   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    ALA   34  15.12 +/- 0.45   0.001% *  0.6045% (0.69   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   34  20.18 +/- 0.27   0.000% *  0.7483% (0.85   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 3.64, residual support = 26.2:
      O   HN    ALA   34 - HA    ALA   34   2.78 +/- 0.02  99.638% * 98.3479% (0.87   3.64  26.17) =  99.999%  kept
          HN    GLN   32 - HA    ALA   34   7.10 +/- 0.12   0.360% *  0.1555% (0.25   0.02   0.02) =   0.001%
          HN    LEU   80 - HA    ALA   34  20.17 +/- 0.52   0.001% *  0.5582% (0.89   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA   34  26.18 +/- 0.33   0.000% *  0.5292% (0.85   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    ALA  124  24.23 +/- 0.98   0.000% *  0.1239% (0.20   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA  124  27.11 +/- 0.44   0.000% *  0.1215% (0.19   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA  124  34.13 +/- 0.86   0.000% *  0.1281% (0.21   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    ALA  124  28.17 +/- 0.96   0.000% *  0.0357% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 0.882, support = 2.23, residual support = 6.25:
          HB    THR   39 - HA    ALA   34   2.76 +/- 0.43  43.718% * 80.9651% (0.88   2.67   7.75) =  79.961%  kept
          HB3   SER   37 - HA    ALA   34   2.62 +/- 0.54  56.073% * 15.8190% (0.89   0.51   0.28) =  20.038%  kept
          HA    GLN   30 - HA    ALA   34   6.65 +/- 0.34   0.202% *  0.1085% (0.16   0.02   0.30) =   0.000%
          QB    SER   13 - HA    ALA   34  14.01 +/- 2.02   0.004% *  0.5981% (0.87   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA  124  14.02 +/- 0.47   0.002% *  0.1087% (0.16   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA   34  20.28 +/- 0.28   0.000% *  0.4736% (0.69   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA   34  21.79 +/- 0.33   0.000% *  0.6184% (0.89   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA   34  20.85 +/- 0.76   0.000% *  0.4500% (0.65   0.02   0.02) =   0.000%
          HB    THR   39 - HA    ALA  124  19.37 +/- 1.16   0.000% *  0.1395% (0.20   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ALA  124  21.86 +/- 1.35   0.000% *  0.1420% (0.21   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ALA  124  22.91 +/- 1.21   0.000% *  0.1373% (0.20   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA  124  28.94 +/- 0.81   0.000% *  0.1420% (0.21   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA   34  29.01 +/- 0.31   0.000% *  0.1380% (0.20   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ALA  124  26.87 +/- 0.99   0.000% *  0.0249% (0.04   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA  124  36.34 +/- 1.00   0.000% *  0.1033% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA  124  30.29 +/- 0.40   0.000% *  0.0317% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2505 (4.39, 2.95, 38.12 ppm):
    18 chemical-shift based assignments, quality = 0.897, support = 4.01, residual support = 54.0:
      O T HA    ASN   35 - HB2   ASN   35   2.71 +/- 0.06  99.765% * 96.2666% (0.90   4.01  54.03) =  99.999%  kept
          HA    LYS+  99 - HB2   ASN   35   7.99 +/- 0.44   0.158% *  0.4089% (0.76   0.02   0.02) =   0.001%
        T HA    LEU   40 - HB2   ASN   35   9.48 +/- 0.46   0.056% *  0.3461% (0.65   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   ASN   28  12.32 +/- 0.16   0.011% *  0.1493% (0.28   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   35  16.56 +/- 1.13   0.002% *  0.2399% (0.45   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   28  15.66 +/- 0.50   0.003% *  0.1272% (0.24   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   ASN   28  16.37 +/- 0.27   0.002% *  0.1077% (0.20   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   35  20.25 +/- 2.38   0.001% *  0.2399% (0.45   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   28  18.27 +/- 0.89   0.001% *  0.0746% (0.14   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   35  25.69 +/- 0.77   0.000% *  0.5245% (0.98   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   35  26.93 +/- 0.71   0.000% *  0.4939% (0.92   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   28  21.62 +/- 2.67   0.001% *  0.0746% (0.14   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   35  27.36 +/- 0.84   0.000% *  0.2605% (0.49   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   28  26.65 +/- 0.45   0.000% *  0.1537% (0.29   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   35  30.31 +/- 0.56   0.000% *  0.2200% (0.41   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   28  27.43 +/- 0.50   0.000% *  0.0810% (0.15   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   28  30.90 +/- 0.57   0.000% *  0.1632% (0.30   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   28  32.29 +/- 0.52   0.000% *  0.0684% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 5.51, residual support = 54.0:
      O   HN    ASN   35 - HB2   ASN   35   2.38 +/- 0.45  99.921% * 98.5883% (0.57   5.51  54.03) = 100.000%  kept
          HN    LYS+  99 - HB2   ASN   35   9.35 +/- 0.53   0.045% *  0.3579% (0.57   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ASN   28  10.30 +/- 0.17   0.029% *  0.1113% (0.18   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   35  18.87 +/- 2.33   0.001% *  0.3077% (0.49   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASN   28  16.19 +/- 0.60   0.002% *  0.1113% (0.18   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   35  18.77 +/- 1.74   0.001% *  0.2156% (0.34   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   28  20.18 +/- 1.78   0.000% *  0.0671% (0.11   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   28  22.98 +/- 2.09   0.000% *  0.0957% (0.15   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   35  22.90 +/- 3.29   0.000% *  0.1107% (0.18   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   28  24.31 +/- 3.46   0.000% *  0.0344% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2508 (7.37, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.58, residual support = 54.0:
      O   HD21  ASN   35 - HB2   ASN   35   2.53 +/- 0.33  99.953% * 98.4587% (1.00   3.58  54.03) = 100.000%  kept
          HD21  ASN   35 - HB2   ASN   28  10.07 +/- 0.65   0.036% *  0.1712% (0.31   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   28  12.71 +/- 0.32   0.008% *  0.1309% (0.24   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   35  18.92 +/- 0.92   0.001% *  0.4207% (0.76   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   35  19.62 +/- 0.75   0.001% *  0.1531% (0.28   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   28  19.17 +/- 2.42   0.001% *  0.0427% (0.08   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   35  24.14 +/- 1.59   0.000% *  0.1373% (0.25   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   28  24.45 +/- 0.63   0.000% *  0.1039% (0.19   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   35  29.52 +/- 0.85   0.000% *  0.3339% (0.61   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   28  23.08 +/- 0.26   0.000% *  0.0476% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 0.991, support = 2.23, residual support = 6.98:
        T HA    GLN   32 - HB2   ASN   35   2.87 +/- 0.42  89.622% * 93.6063% (0.99   2.23   6.98) =  99.986%  kept
        T HA    GLU-  29 - HB2   ASN   28   4.46 +/- 0.18   7.983% *  0.0900% (0.11   0.02  31.16) =   0.009%
        T HA    LYS+  33 - HB2   ASN   35   5.55 +/- 0.33   1.849% *  0.1887% (0.22   0.02   0.69) =   0.004%
        T HA    GLN   32 - HB2   ASN   28   7.92 +/- 0.25   0.252% *  0.2614% (0.31   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HB2   ASN   35   8.23 +/- 0.53   0.165% *  0.2892% (0.34   0.02   0.02) =   0.001%
          HB2   SER   82 - HB2   ASN   28  10.79 +/- 1.14   0.055% *  0.1182% (0.14   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   ASN   28  10.62 +/- 0.39   0.045% *  0.0587% (0.07   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   28  13.24 +/- 0.83   0.013% *  0.0990% (0.12   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   35  16.48 +/- 0.87   0.003% *  0.3182% (0.38   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   28  17.69 +/- 0.66   0.002% *  0.2585% (0.30   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   35  21.28 +/- 0.67   0.001% *  0.8310% (0.98   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   35  18.94 +/- 1.16   0.001% *  0.3801% (0.45   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   35  18.76 +/- 0.75   0.001% *  0.3182% (0.38   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   35  19.74 +/- 0.90   0.001% *  0.3182% (0.38   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   28  16.51 +/- 0.32   0.003% *  0.0990% (0.12   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   35  21.75 +/- 0.87   0.001% *  0.3801% (0.45   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   28  21.33 +/- 0.56   0.001% *  0.2203% (0.26   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   35  27.23 +/- 0.95   0.000% *  0.7081% (0.84   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   35  29.10 +/- 0.83   0.000% *  0.8310% (0.98   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   28  25.54 +/- 0.54   0.000% *  0.2585% (0.30   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   28  22.15 +/- 0.46   0.001% *  0.0990% (0.12   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   28  24.05 +/- 0.43   0.000% *  0.1182% (0.14   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   35  26.49 +/- 0.50   0.000% *  0.1147% (0.14   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   28  31.16 +/- 0.52   0.000% *  0.0357% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2510 (2.15, 2.86, 38.12 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 4.81, residual support = 45.3:
          QB    GLU-  36 - HB3   ASN   35   3.69 +/- 0.18  98.837% * 98.5954% (0.99   4.81  45.30) =  99.998%  kept
          HB3   GLU-  29 - HB3   ASN   35  10.77 +/- 0.47   0.182% *  0.3821% (0.92   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HB3   ASN   35   8.23 +/- 0.26   0.828% *  0.0725% (0.18   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HB3   ASN   35  11.05 +/- 0.32   0.149% *  0.2343% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB3   ASN   35  21.50 +/- 0.68   0.003% *  0.3994% (0.97   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB3   ASN   35  26.31 +/- 0.59   0.001% *  0.3163% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2511 (2.15, 2.95, 38.12 ppm):
    12 chemical-shift based assignments, quality = 0.692, support = 4.99, residual support = 39.8:
          QB    GLU-  36 - HB2   ASN   35   4.78 +/- 0.36  21.738% * 70.6867% (0.99   5.29  45.30) =  61.321%  kept
          HG3   GLU-  29 - HB2   ASN   28   4.12 +/- 0.55  56.519% * 10.8646% (0.18   4.57  31.16) =  24.505%  kept
          HB3   GLU-  29 - HB2   ASN   28   5.00 +/- 0.62  20.536% * 17.2901% (0.29   4.46  31.16) =  14.169%  kept
          HB3   GLU-  29 - HB2   ASN   35  10.50 +/- 0.56   0.190% *  0.2491% (0.92   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HB2   ASN   35   8.45 +/- 0.47   0.677% *  0.0473% (0.18   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HB2   ASN   35  10.82 +/- 0.57   0.159% *  0.1528% (0.57   0.02   0.02) =   0.001%
          QB    GLU-  36 - HB2   ASN   28  11.50 +/- 0.55   0.108% *  0.0832% (0.31   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - HB2   ASN   28  12.80 +/- 0.67   0.058% *  0.0810% (0.30   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB2   ASN   35  20.51 +/- 1.00   0.003% *  0.2604% (0.97   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   ASN   28  19.75 +/- 1.06   0.004% *  0.0641% (0.24   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB2   ASN   35  25.03 +/- 0.74   0.001% *  0.2062% (0.76   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   ASN   28  18.12 +/- 0.43   0.007% *  0.0147% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2512 (4.00, 2.86, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.51, support = 2.03, residual support = 6.64:
          HA    GLN   32 - HB3   ASN   35   2.93 +/- 0.38  95.315% * 42.7787% (0.49   2.07   6.98) =  94.579%  kept
          HA    LYS+  33 - HB3   ASN   35   5.05 +/- 0.21   4.472% * 52.2229% (0.92   1.33   0.69) =   5.417%  kept
          HA    GLU-  29 - HB3   ASN   35   8.40 +/- 0.33   0.191% *  0.8426% (0.99   0.02   0.02) =   0.004%
          HA    VAL   70 - HB3   ASN   35  12.90 +/- 0.34   0.017% *  0.5500% (0.65   0.02   0.02) =   0.000%
        T HA    VAL   18 - HB3   ASN   35  17.20 +/- 0.48   0.003% *  0.8483% (1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   ASN   35  19.92 +/- 1.23   0.001% *  0.8483% (1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   ASN   35  22.56 +/- 0.58   0.001% *  0.4473% (0.53   0.02   0.02) =   0.000%
          HA    SER   48 - HB3   ASN   35  28.37 +/- 0.66   0.000% *  0.6497% (0.76   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   ASN   35  28.51 +/- 0.32   0.000% *  0.5500% (0.65   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   ASN   35  30.32 +/- 0.52   0.000% *  0.2624% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2513 (4.39, 2.86, 38.12 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 3.95, residual support = 54.0:
      O   HA    ASN   35 - HB3   ASN   35   3.02 +/- 0.02  99.748% * 97.1954% (0.90   3.95  54.03) =  99.999%  kept
          HA    LYS+  99 - HB3   ASN   35   8.75 +/- 0.44   0.177% *  0.4195% (0.76   0.02   0.02) =   0.001%
          HA    LEU   40 - HB3   ASN   35  10.18 +/- 0.23   0.069% *  0.3551% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   ASN   35  16.78 +/- 1.02   0.004% *  0.2461% (0.45   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   ASN   35  20.10 +/- 2.16   0.001% *  0.2461% (0.45   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   ASN   35  26.35 +/- 0.65   0.000% *  0.5381% (0.98   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   ASN   35  28.06 +/- 0.38   0.000% *  0.5067% (0.92   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   ASN   35  28.32 +/- 0.36   0.000% *  0.2672% (0.49   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   ASN   35  31.46 +/- 0.38   0.000% *  0.2257% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 54.0:
      O   HD21  ASN   35 - HB3   ASN   35   2.61 +/- 0.34  99.999% * 98.8497% (1.00   3.26  54.03) = 100.000%  kept
          HD2   HIS   22 - HB3   ASN   35  19.76 +/- 0.65   0.001% *  0.4631% (0.76   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   ASN   35  20.27 +/- 0.35   0.001% *  0.1685% (0.28   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB3   ASN   35  25.42 +/- 1.60   0.000% *  0.1511% (0.25   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASN   35  30.75 +/- 0.64   0.000% *  0.3676% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2515 (7.76, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.91, residual support = 45.3:
          HN    GLU-  36 - HB3   ASN   35   2.40 +/- 0.13  99.771% * 98.9717% (0.97   5.91  45.30) =  99.999%  kept
          HN    THR   39 - HB3   ASN   35   6.81 +/- 0.17   0.199% *  0.3112% (0.90   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HB3   ASN   35   9.87 +/- 1.02   0.025% *  0.2898% (0.84   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   ASN   35  13.13 +/- 0.55   0.004% *  0.1071% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   ASN   35  16.13 +/- 0.61   0.001% *  0.3203% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 5.59, residual support = 54.0:
      O   HN    ASN   35 - HB3   ASN   35   2.74 +/- 0.29  99.999% * 99.6792% (0.97   5.59  54.03) = 100.000%  kept
          HN    ALA   12 - HB3   ASN   35  22.52 +/- 3.23   0.001% *  0.3208% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 54.0:
      O   HD22  ASN   35 - HB3   ASN   35   3.67 +/- 0.16 100.000% *100.0000% (0.99   3.26  54.03) = 100.000%  kept
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2518 (7.77, 2.95, 38.12 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 6.05, residual support = 45.3:
          HN    GLU-  36 - HB2   ASN   35   3.32 +/- 0.17  98.007% * 98.9280% (0.92   6.05  45.30) =  99.996%  kept
          HN    THR   39 - HB2   ASN   35   6.77 +/- 0.23   1.478% *  0.1863% (0.53   0.02   0.02) =   0.003%
          HN    LYS+ 102 - HB2   ASN   35   9.01 +/- 1.05   0.330% *  0.3533% (1.00   0.02   0.02) =   0.001%
          HD1   TRP   87 - HB2   ASN   28  10.71 +/- 0.58   0.096% *  0.0624% (0.18   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   ASN   28  11.68 +/- 0.38   0.055% *  0.1017% (0.29   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   35  14.88 +/- 0.71   0.014% *  0.2005% (0.57   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   ASN   28  16.30 +/- 1.21   0.008% *  0.1099% (0.31   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASN   28  15.00 +/- 0.27   0.012% *  0.0580% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2519 (4.09, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 4.86, residual support = 82.9:
      O T HA    GLU-  36 - QB    GLU-  36   2.33 +/- 0.19  99.995% * 98.7380% (0.84   4.86  82.91) = 100.000%  kept
        T HA    GLU-  36 - HB3   GLU-  29  13.29 +/- 0.57   0.004% *  0.1259% (0.26   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   GLU-  29  17.00 +/- 1.00   0.001% *  0.1094% (0.22   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    GLU-  36  21.23 +/- 0.66   0.000% *  0.2559% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    GLU-  36  22.74 +/- 0.51   0.000% *  0.3532% (0.73   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    GLU-  36  24.34 +/- 1.08   0.000% *  0.1501% (0.31   0.02   0.02) =   0.000%
          HA    LYS+  66 - HB3   GLU-  29  24.53 +/- 0.30   0.000% *  0.0793% (0.16   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    GLU-  36  29.64 +/- 0.62   0.000% *  0.1083% (0.22   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   GLU-  29  27.36 +/- 0.70   0.000% *  0.0335% (0.07   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   GLU-  29  31.26 +/- 0.99   0.000% *  0.0465% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2520 (7.93, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 3.72, residual support = 19.3:
          HN    SER   37 - QB    GLU-  36   3.41 +/- 0.24  90.269% * 95.6959% (0.45   3.72  19.34) =  99.971%  kept
          HN    LYS+  33 - QB    GLU-  36   5.27 +/- 0.36   7.004% *  0.3191% (0.28   0.02   0.02) =   0.026%
          HN    LYS+  33 - HB3   GLU-  29   6.35 +/- 0.44   2.532% *  0.0988% (0.09   0.02   0.02) =   0.003%
          HN    CYS   21 - HB3   GLU-  29  10.49 +/- 0.62   0.126% *  0.3431% (0.30   0.02   0.02) =   0.001%
          HN    SER   37 - HB3   GLU-  29  11.83 +/- 0.54   0.057% *  0.1594% (0.14   0.02   0.02) =   0.000%
          HN    CYS   21 - QB    GLU-  36  16.91 +/- 0.52   0.006% *  1.1075% (0.97   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    GLU-  36  22.15 +/- 0.49   0.001% *  0.7424% (0.65   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   GLU-  29  19.20 +/- 0.81   0.003% *  0.2300% (0.20   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    GLU-  36  25.02 +/- 0.36   0.001% *  0.9954% (0.87   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   GLU-  29  28.19 +/- 0.46   0.000% *  0.3084% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 0.687, support = 7.31, residual support = 82.9:
      O   HN    GLU-  36 - QB    GLU-  36   2.15 +/- 0.10  99.854% * 99.0365% (0.69   7.31  82.91) = 100.000%  kept
          HN    THR   39 - QB    GLU-  36   6.50 +/- 0.27   0.131% *  0.1096% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    GLU-  36  11.89 +/- 0.87   0.004% *  0.3420% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   GLU-  29  10.71 +/- 0.49   0.007% *  0.0839% (0.21   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   GLU-  29  13.70 +/- 0.48   0.002% *  0.0340% (0.09   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   GLU-  29  14.08 +/- 0.75   0.001% *  0.0377% (0.10   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    GLU-  36  16.92 +/- 0.31   0.000% *  0.0983% (0.25   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    GLU-  36  17.67 +/- 0.42   0.000% *  0.1217% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   GLU-  29  17.83 +/- 1.16   0.000% *  0.1059% (0.27   0.02   0.02) =   0.000%
          HN    ASP- 105 - HB3   GLU-  29  20.63 +/- 0.55   0.000% *  0.0305% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2522 (7.78, 2.46, 36.40 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 4.85, residual support = 82.9:
          HN    GLU-  36 - HG2   GLU-  36   3.06 +/- 0.52  99.971% * 98.4027% (0.28   4.85  82.91) = 100.000%  kept
          HN    LYS+ 102 - HG2   GLU-  36  13.21 +/- 0.98   0.027% *  0.6538% (0.45   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG2   GLU-  36  18.61 +/- 0.64   0.003% *  0.9434% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2523 (7.77, 2.31, 36.40 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 4.85, residual support = 82.9:
          HN    GLU-  36 - HG3   GLU-  36   3.87 +/- 0.10  97.121% * 98.8137% (0.69   4.85  82.91) =  99.995%  kept
          HN    THR   39 - HG3   GLU-  36   7.41 +/- 1.20   2.781% *  0.1648% (0.28   0.02   0.02) =   0.005%
          HN    LYS+ 102 - HG3   GLU-  36  14.06 +/- 0.92   0.046% *  0.5142% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    MET   11  19.12 +/- 3.60   0.019% *  0.0507% (0.09   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   GLU-  36  19.51 +/- 0.61   0.006% *  0.1478% (0.25   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG3   GLU-  36  20.75 +/- 0.51   0.004% *  0.1830% (0.31   0.02   0.02) =   0.000%
          HN    THR   39 - QB    MET   11  18.21 +/- 2.93   0.019% *  0.0205% (0.03   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    MET   11  26.19 +/- 2.96   0.001% *  0.0641% (0.11   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    MET   11  28.19 +/- 3.38   0.001% *  0.0228% (0.04   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    MET   11  27.13 +/- 2.15   0.001% *  0.0184% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2524 (7.78, 4.10, 58.69 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 5.47, residual support = 82.9:
      O   HN    GLU-  36 - HA    GLU-  36   2.82 +/- 0.02  99.975% * 98.5808% (0.28   5.47  82.91) = 100.000%  kept
          HN    LYS+ 102 - HA    GLU-  36  11.54 +/- 0.94   0.024% *  0.5810% (0.45   0.02   0.02) =   0.000%
          HN    ASP- 105 - HA    GLU-  36  17.57 +/- 0.39   0.002% *  0.8383% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 3.42, residual support = 25.6:
      O   HN    SER   37 - HB2   SER   37   3.03 +/- 0.66  99.994% * 98.6649% (0.98   3.42  25.62) = 100.000%  kept
          HN    CYS   21 - HB2   SER   37  16.93 +/- 0.84   0.005% *  0.2418% (0.41   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   SER   37  23.77 +/- 0.52   0.001% *  0.5103% (0.87   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   SER   37  24.28 +/- 0.66   0.001% *  0.5830% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 0.486, support = 0.0184, residual support = 0.0184:
          HN    GLN   30 - HB3   SER   37  10.61 +/- 0.48  42.400% * 12.9780% (0.47   0.02   0.02) =  47.325%  kept
          HN    GLU-  29 - HB3   SER   37  12.78 +/- 0.49  13.741% * 22.4691% (0.82   0.02   0.02) =  26.553%  kept
          HN    VAL   18 - QB    SER   13  11.42 +/- 1.57  28.493% *  4.8772% (0.18   0.02   0.02) =  11.952%  kept
          HN    GLN   30 - QB    SER   13  15.58 +/- 2.92   7.474% *  9.9312% (0.36   0.02   0.02) =   6.384%  kept
          HN    GLU-  29 - QB    SER   13  17.33 +/- 3.06   3.316% * 17.1942% (0.63   0.02   0.02) =   4.903%
          HN    VAL   18 - HB3   SER   37  15.62 +/- 0.75   4.005% *  6.3735% (0.23   0.02   0.02) =   2.195%
          HN    ASP-  86 - HB3   SER   37  22.63 +/- 0.61   0.436% * 14.8290% (0.54   0.02   0.02) =   0.556%
          HN    ASP-  86 - QB    SER   13  27.30 +/- 2.87   0.135% * 11.3477% (0.41   0.02   0.02) =   0.131%
    Distance limit 4.30 A violated in 20 structures by 4.81 A, eliminated.
    Peak unassigned.
 
    Peak 2527 (7.88, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 6.07, residual support = 209.8:
      O   HN    LYS+  38 - HA    LYS+  38   2.22 +/- 0.00  97.617% * 99.5703% (0.92   6.07 209.82) =  99.998%  kept
          HN    SER   37 - HA    LYS+  38   4.45 +/- 0.13   1.540% *  0.0886% (0.25   0.02   8.38) =   0.001%
          HN    LYS+  38 - HA    GLU- 100   5.27 +/- 0.62   0.720% *  0.0198% (0.06   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLU- 100   7.11 +/- 0.64   0.109% *  0.0054% (0.02   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LYS+  38  11.02 +/- 0.44   0.007% *  0.0548% (0.15   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    GLU- 100  11.31 +/- 0.63   0.006% *  0.0033% (0.01   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LYS+  38  22.47 +/- 0.37   0.000% *  0.0703% (0.20   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LYS+  38  30.23 +/- 0.27   0.000% *  0.1729% (0.49   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    GLU- 100  23.35 +/- 0.46   0.000% *  0.0042% (0.01   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    GLU- 100  30.18 +/- 0.31   0.000% *  0.0104% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2528 (7.75, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 5.29, residual support = 15.2:
      O   HN    THR   39 - HA    LYS+  38   3.02 +/- 0.02  89.303% * 98.6773% (0.92   5.29  15.15) =  99.987%  kept
          HN    GLU-  36 - HA    LYS+  38   5.61 +/- 0.10   2.171% *  0.3823% (0.95   0.02   0.63) =   0.009%
          HN    LYS+ 102 - HA    GLU- 100   4.81 +/- 0.44   6.032% *  0.0196% (0.05   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HA    LYS+  38   7.86 +/- 0.89   0.352% *  0.3236% (0.80   0.02   0.02) =   0.001%
          HN    THR   39 - HA    GLU- 100   6.09 +/- 0.55   1.520% *  0.0225% (0.06   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    GLU- 100   7.18 +/- 0.63   0.612% *  0.0231% (0.06   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    LYS+  38  18.52 +/- 0.50   0.002% *  0.3823% (0.95   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    LYS+  38  16.93 +/- 0.56   0.003% *  0.1379% (0.34   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    GLU- 100  17.00 +/- 0.59   0.003% *  0.0231% (0.06   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    GLU- 100  17.09 +/- 0.58   0.003% *  0.0083% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 0.997, support = 0.02, residual support = 8.38:
          HN    SER   37 - HB2   LYS+  38   6.17 +/- 0.15  99.866% * 32.1378% (1.00   0.02   8.38) =  99.917%  kept
          HN    ILE  119 - HB2   LYS+  38  22.33 +/- 0.37   0.045% * 25.7912% (0.80   0.02   0.02) =   0.036%
          HN    ILE   89 - HB2   LYS+  38  24.56 +/- 0.70   0.026% * 31.0842% (0.97   0.02   0.02) =   0.025%
          HN    CYS   21 - HB2   LYS+  38  21.11 +/- 0.26   0.063% * 10.9869% (0.34   0.02   0.02) =   0.022%
    Distance limit 4.14 A violated in 20 structures by 2.04 A, eliminated.
    Peak unassigned.
 
    Peak 2530 (7.77, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.512, support = 0.02, residual support = 13.1:
          HN    THR   39 - HB2   LYS+  38   4.58 +/- 0.10  92.691% * 16.1113% (0.45   0.02  15.15) =  86.226%  kept
          HN    GLU-  36 - HB2   LYS+  38   7.56 +/- 0.10   4.615% * 31.1721% (0.87   0.02   0.63) =   8.306%  kept
          HN    LYS+ 102 - HB2   LYS+  38   8.75 +/- 1.07   2.683% * 35.2246% (0.98   0.02   0.02) =   5.457%  kept
          HD1   TRP   87 - HB2   LYS+  38  20.67 +/- 0.65   0.011% * 17.4920% (0.49   0.02   0.02) =   0.011%
    Distance limit 3.70 A violated in 20 structures by 0.82 A, eliminated.
    Peak unassigned.
 
    Peak 2531 (7.89, 1.32, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 209.8:
          HN    LYS+  38 - HG2   LYS+  38   2.48 +/- 0.17  96.866% * 99.4005% (0.80   5.85 209.82) =  99.995%  kept
          HN    SER   37 - HG2   LYS+  38   4.53 +/- 0.07   2.733% *  0.1592% (0.38   0.02   8.38) =   0.005%
          HN    LYS+  38 - HG2   LYS+  99   6.57 +/- 0.48   0.331% *  0.0926% (0.22   0.02   0.02) =   0.000%
          HN    SER   37 - HG2   LYS+  99   8.46 +/- 0.47   0.070% *  0.0434% (0.10   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  38  24.56 +/- 0.68   0.000% *  0.0944% (0.22   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  99  21.01 +/- 0.30   0.000% *  0.0257% (0.06   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  38  32.63 +/- 0.36   0.000% *  0.1447% (0.34   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  99  27.90 +/- 0.43   0.000% *  0.0394% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 0.801, support = 5.53, residual support = 209.8:
          HN    LYS+  38 - HG3   LYS+  38   3.45 +/- 0.44  91.810% * 99.4967% (0.80   5.53 209.82) =  99.988%  kept
          HN    SER   37 - HG3   LYS+  38   5.41 +/- 0.70   6.279% *  0.1685% (0.38   0.02   8.38) =   0.012%
          HN    LYS+  38 - HG3   LYS+  99   7.41 +/- 0.71   1.534% *  0.0375% (0.08   0.02   0.02) =   0.001%
          HN    SER   37 - HG3   LYS+  99   9.31 +/- 0.86   0.374% *  0.0176% (0.04   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  38  25.53 +/- 0.75   0.001% *  0.1000% (0.22   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  21.18 +/- 0.54   0.002% *  0.0104% (0.02   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  38  33.31 +/- 0.37   0.000% *  0.1532% (0.34   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  99  27.92 +/- 0.86   0.000% *  0.0160% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2533 (7.75, 4.27, 62.55 ppm):
    12 chemical-shift based assignments, quality = 0.953, support = 3.32, residual support = 34.0:
      O   HN    THR   39 - HA    THR   39   2.90 +/- 0.02  95.339% * 77.4930% (0.97   3.36  34.36) =  98.797%  kept
          HN    LYS+ 102 - HA    ILE  103   4.86 +/- 0.13   4.393% * 20.4571% (0.24   3.57  22.53) =   1.202%
          HN    GLU-  36 - HA    THR   39   8.47 +/- 0.13   0.154% *  0.4281% (0.90   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HA    THR   39   9.92 +/- 0.58   0.062% *  0.3466% (0.73   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE  103  12.02 +/- 0.46   0.019% *  0.1522% (0.32   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  12.37 +/- 0.51   0.016% *  0.1546% (0.32   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  14.25 +/- 0.51   0.007% *  0.1414% (0.30   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  19.11 +/- 0.27   0.001% *  0.4679% (0.98   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  17.25 +/- 0.46   0.002% *  0.1962% (0.41   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  17.10 +/- 0.62   0.002% *  0.0648% (0.14   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  17.76 +/- 0.77   0.002% *  0.0243% (0.05   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  25.83 +/- 0.69   0.000% *  0.0737% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 4.12, residual support = 24.3:
      O   HN    LEU   40 - HA    THR   39   2.29 +/- 0.01  99.667% * 99.1551% (0.57   4.12  24.25) =  99.999%  kept
          HN    GLY  101 - HA    ILE  103   6.13 +/- 0.26   0.280% *  0.1703% (0.20   0.02   0.02) =   0.000%
          HN    GLY  101 - HA    THR   39   8.48 +/- 0.56   0.042% *  0.5156% (0.61   0.02   0.02) =   0.000%
          HN    LEU   40 - HA    ILE  103  10.56 +/- 0.36   0.011% *  0.1590% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 3.33, residual support = 34.4:
      O   HN    THR   39 - HB    THR   39   2.57 +/- 0.09  99.739% * 98.0686% (0.97   3.33  34.36) =  99.999%  kept
          HN    GLU-  36 - HB    THR   39   7.08 +/- 0.24   0.236% *  0.5467% (0.90   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HB    THR   39  10.82 +/- 0.75   0.020% *  0.4426% (0.73   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    THR   39  14.61 +/- 0.58   0.003% *  0.2506% (0.41   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    THR   39  17.59 +/- 0.52   0.001% *  0.5975% (0.98   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   39  24.72 +/- 0.71   0.000% *  0.0941% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2536 (8.88, 3.86, 70.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.99, residual support = 24.3:
          HN    LEU   40 - HB    THR   39   3.85 +/- 0.09  99.361% * 99.9106% (0.98   3.99  24.25) =  99.999%  kept
          HN    GLY  101 - HB    THR   39   9.04 +/- 0.61   0.639% *  0.0894% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2539 (8.16, 1.26, 21.81 ppm):
    15 chemical-shift based assignments, quality = 0.596, support = 0.02, residual support = 0.02:
          HN    LEU   71 - QG2   THR   39   2.86 +/- 0.31  99.940% *  9.9077% (0.60   0.02   0.02) =  99.966%  kept
          HN    GLU- 114 - QB    ALA   91  12.60 +/- 1.03   0.022% *  6.6763% (0.40   0.02   0.02) =   0.015%
          HN    GLN  116 - QB    ALA   91  14.67 +/- 0.97   0.008% *  5.6891% (0.34   0.02   0.02) =   0.004%
          HN    THR  118 - QG2   THR   39  16.37 +/- 0.44   0.003% *  8.1660% (0.49   0.02   0.02) =   0.003%
          HN    PHE   60 - QG2   THR   39  15.11 +/- 0.41   0.005% *  4.9200% (0.30   0.02   0.02) =   0.003%
          HN    PHE   60 - QB    ALA   91  14.04 +/- 0.73   0.009% *  2.3233% (0.14   0.02   0.02) =   0.002%
          HN    LEU   71 - QG2   THR   23  16.45 +/- 0.46   0.004% *  5.5597% (0.33   0.02   0.02) =   0.002%
          HN    THR  118 - QB    ALA   91  15.86 +/- 1.03   0.005% *  3.8562% (0.23   0.02   0.02) =   0.002%
          HN    GLN  116 - QG2   THR   39  18.74 +/- 0.43   0.001% * 12.0477% (0.72   0.02   0.02) =   0.002%
          HN    GLU- 114 - QG2   THR   39  20.26 +/- 0.38   0.001% * 14.1381% (0.85   0.02   0.02) =   0.001%
          HN    LEU   71 - QB    ALA   91  20.55 +/- 0.56   0.001% *  4.6786% (0.28   0.02   0.02) =   0.000%
          HN    PHE   60 - QG2   THR   23  19.26 +/- 0.36   0.001% *  2.7609% (0.17   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   THR   23  25.19 +/- 0.38   0.000% *  7.9335% (0.48   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   THR   23  25.30 +/- 0.37   0.000% *  6.7605% (0.41   0.02   0.02) =   0.000%
          HN    THR  118 - QG2   THR   23  24.95 +/- 0.36   0.000% *  4.5823% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2540 (8.89, 1.26, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 3.76, residual support = 24.3:
          HN    LEU   40 - QG2   THR   39   2.38 +/- 0.30  99.999% * 99.4534% (0.66   3.76  24.25) = 100.000%  kept
          HN    LEU   40 - QG2   THR   23  19.32 +/- 0.47   0.000% *  0.2968% (0.37   0.02   0.02) =   0.000%
          HN    LEU   40 - QB    ALA   91  21.98 +/- 0.78   0.000% *  0.2498% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2541 (7.74, 1.25, 21.56 ppm):
    24 chemical-shift based assignments, quality = 0.59, support = 3.1, residual support = 13.9:
      O   HN    ALA   91 - QB    ALA   91   2.41 +/- 0.10  88.948% * 56.8003% (0.61   3.07  12.31) =  92.557%  kept
          HN    THR   39 - QG2   THR   39   3.63 +/- 0.35  10.282% * 39.5064% (0.38   3.43  34.36) =   7.442%  kept
          HN    TRP   27 - QG2   THR   23   5.67 +/- 0.37   0.615% *  0.0591% (0.10   0.02   1.64) =   0.001%
          HN    GLU-  36 - QG2   THR   39   7.72 +/- 0.50   0.086% *  0.1080% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   91  10.85 +/- 0.63   0.012% *  0.4655% (0.76   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   91  10.77 +/- 0.85   0.013% *  0.1519% (0.25   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   39   9.93 +/- 0.56   0.019% *  0.0640% (0.11   0.02   0.02) =   0.000%
          HN    TRP   27 - QG2   THR   39  13.44 +/- 0.68   0.003% *  0.2655% (0.44   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   23  10.87 +/- 0.28   0.011% *  0.0489% (0.08   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA   91  15.62 +/- 0.67   0.001% *  0.3205% (0.53   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   91  17.31 +/- 0.32   0.001% *  0.5623% (0.92   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   39  14.57 +/- 0.43   0.002% *  0.1513% (0.25   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   39  15.74 +/- 0.52   0.001% *  0.2198% (0.36   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   39  14.75 +/- 0.47   0.002% *  0.0717% (0.12   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   91  23.52 +/- 0.71   0.000% *  0.4878% (0.80   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   23  15.58 +/- 0.52   0.001% *  0.0388% (0.06   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    ALA   91  20.03 +/- 0.99   0.000% *  0.1356% (0.22   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   39  21.06 +/- 0.65   0.000% *  0.1745% (0.29   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   23  14.75 +/- 0.30   0.002% *  0.0160% (0.03   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   THR   23  18.34 +/- 0.47   0.000% *  0.0513% (0.08   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   23  16.73 +/- 0.48   0.001% *  0.0240% (0.04   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    ALA   91  24.45 +/- 0.58   0.000% *  0.2286% (0.38   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   23  18.78 +/- 0.33   0.000% *  0.0337% (0.06   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   23  19.97 +/- 0.85   0.000% *  0.0143% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 3.03, residual support = 8.95:
          HN    MET   92 - QB    ALA   91   3.07 +/- 0.30  99.486% * 96.4882% (0.87   3.03   8.95) =  99.998%  kept
          HN    THR   46 - QB    ALA   91   8.60 +/- 0.30   0.221% *  0.7197% (0.98   0.02   0.02) =   0.002%
          HN    LYS+  74 - QG2   THR   39  11.45 +/- 0.38   0.045% *  0.3007% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QB    ALA   91  11.69 +/- 0.92   0.042% *  0.2504% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  74 - QG2   THR   23   9.35 +/- 0.39   0.144% *  0.0670% (0.09   0.02   0.02) =   0.000%
          HN    LYS+  74 - QB    ALA   91  15.15 +/- 0.29   0.008% *  0.6369% (0.87   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   23  11.69 +/- 0.36   0.036% *  0.0757% (0.10   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   39  16.77 +/- 0.31   0.004% *  0.3398% (0.46   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   39  16.41 +/- 1.97   0.006% *  0.1824% (0.25   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   23  16.98 +/- 0.38   0.004% *  0.0670% (0.09   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   39  22.17 +/- 0.39   0.001% *  0.3007% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   39  21.51 +/- 0.37   0.001% *  0.1183% (0.16   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   23  23.22 +/- 3.54   0.001% *  0.0406% (0.06   0.02   0.02) =   0.000%
          HN    MET   11 - QB    ALA   91  33.89 +/- 3.44   0.000% *  0.3863% (0.53   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   23  24.67 +/- 0.39   0.000% *  0.0263% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2543 (4.39, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.58, support = 5.83, residual support = 102.3:
          HA    LEU   40 - QD2   LEU   40   2.28 +/- 0.26  92.304% * 63.1318% (0.61   6.10 107.07) =  95.579%  kept
          HA    LYS+  99 - QD2   LEU   40   3.59 +/- 0.31   7.634% * 35.3063% (0.80   2.59  14.08) =   4.421%
          HA    ASN   35 - QD2   LEU   40   8.14 +/- 0.38   0.047% *  0.3149% (0.92   0.02   0.02) =   0.000%
          HA    LEU  123 - QD2   LEU   40  12.05 +/- 0.58   0.006% *  0.3381% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU   40  12.39 +/- 1.05   0.004% *  0.1402% (0.41   0.02   0.02) =   0.000%
          HA    ILE   56 - QD2   LEU   40  14.66 +/- 0.28   0.002% *  0.3227% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU   40  15.28 +/- 0.25   0.001% *  0.1529% (0.45   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD2   LEU   40  16.22 +/- 0.34   0.001% *  0.1529% (0.45   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU   40  17.25 +/- 1.40   0.001% *  0.1402% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2544 (4.40, 0.91, 26.66 ppm):
    11 chemical-shift based assignments, quality = 0.991, support = 4.65, residual support = 107.1:
          HA    LEU   40 - QD1   LEU   40   3.95 +/- 0.09  90.545% * 97.6459% (0.99   4.65 107.07) =  99.984%  kept
          HA    LYS+  99 - QD1   LEU   40   5.97 +/- 0.27   7.953% *  0.1307% (0.31   0.02  14.08) =   0.012%
          HA    LEU  123 - QD1   LEU   40   9.96 +/- 0.48   0.379% *  0.2568% (0.61   0.02   0.02) =   0.001%
          HA    GLU-  15 - QD1   LEU   40  11.26 +/- 0.72   0.182% *  0.3797% (0.90   0.02   0.02) =   0.001%
          HA    ASN   35 - QD1   LEU   40  10.00 +/- 0.26   0.349% *  0.1898% (0.45   0.02   0.02) =   0.001%
          HA    GLN   17 - QD1   LEU   40  10.64 +/- 0.23   0.242% *  0.1307% (0.31   0.02   0.02) =   0.000%
          HA    SER   37 - QD1   LEU   40  11.04 +/- 0.10   0.193% *  0.1307% (0.31   0.02   0.02) =   0.000%
          HA    PRO   58 - QD1   LEU   40  13.75 +/- 0.32   0.052% *  0.3909% (0.92   0.02   0.02) =   0.000%
          HA    ILE   56 - QD1   LEU   40  13.76 +/- 0.32   0.052% *  0.2061% (0.49   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU   40  16.17 +/- 1.15   0.022% *  0.3797% (0.90   0.02   0.02) =   0.000%
          HA    THR   46 - QD1   LEU   40  14.88 +/- 0.19   0.032% *  0.1589% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2545 (2.77, 0.91, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.545, support = 0.0199, residual support = 0.0199:
        T HB3   HIS  122 - QD1   LEU   40   7.08 +/- 0.89  42.064% * 30.4714% (0.69   0.02   0.02) =  59.655%  kept
          QE    LYS+ 121 - QD1   LEU   40   6.65 +/- 1.08  56.319% * 15.1316% (0.34   0.02   0.02) =  39.662%  kept
          QE    LYS+  74 - QD1   LEU   40  12.85 +/- 0.66   1.223% *  7.7688% (0.18   0.02   0.02) =   0.442%
          HB3   ASP-  78 - QD1   LEU   40  20.38 +/- 0.38   0.075% * 39.7836% (0.90   0.02   0.02) =   0.139%
          QB    CYS   50 - QD1   LEU   40  16.06 +/- 0.48   0.319% *  6.8446% (0.15   0.02   0.02) =   0.102%
    Distance limit 4.15 A violated in 20 structures by 1.80 A, eliminated.
    Peak unassigned.
 
    Peak 2546 (7.18, 0.91, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.873, support = 0.0192, residual support = 0.0192:
          QD    PHE   59 - QD1   LEU   40   9.19 +/- 0.27  56.554% * 23.0961% (0.84   0.02   0.02) =  52.477%  kept
          HE21  GLN   30 - QD1   LEU   40   9.85 +/- 0.82  39.155% * 27.6510% (1.00   0.02   0.02) =  43.498%  kept
          HD1   TRP   27 - QD1   LEU   40  14.29 +/- 0.36   3.942% * 23.0961% (0.84   0.02   0.02) =   3.658%
          HH2   TRP   49 - QD1   LEU   40  21.43 +/- 0.30   0.349% * 26.1568% (0.95   0.02   0.02) =   0.367%
    Distance limit 4.21 A violated in 20 structures by 4.18 A, eliminated.
    Peak unassigned.
 
    Peak 2547 (7.18, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.928, support = 0.0199, residual support = 0.0199:
          HE21  GLN   30 - QD2   LEU   40   9.51 +/- 1.22  53.994% * 27.6510% (1.00   0.02   0.02) =  58.393%  kept
          QD    PHE   59 - QD2   LEU   40  10.17 +/- 0.21  36.018% * 23.0961% (0.84   0.02   0.02) =  32.536%  kept
          HD1   TRP   27 - QD2   LEU   40  12.56 +/- 0.62   9.586% * 23.0961% (0.84   0.02   0.02) =   8.659%  kept
          HH2   TRP   49 - QD2   LEU   40  21.47 +/- 0.16   0.403% * 26.1568% (0.95   0.02   0.02) =   0.412%
    Distance limit 3.98 A violated in 20 structures by 4.49 A, eliminated.
    Peak unassigned.
 
    Peak 2548 (9.01, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.73, residual support = 18.5:
          HN    VAL   41 - QD2   LEU   40   2.15 +/- 0.33 100.000% *100.0000% (0.73   4.73  18.47) = 100.000%  kept
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2549 (9.69, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.91, residual support = 11.2:
          HN    LEU   98 - QD2   LEU   40   2.66 +/- 0.26 100.000% *100.0000% (0.97   4.91  11.20) = 100.000%  kept
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2550 (8.88, 1.48, 42.31 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.69, residual support = 107.1:
      O   HN    LEU   40 - HB3   LEU   40   2.64 +/- 0.23  99.875% * 99.8650% (0.98   4.69 107.07) = 100.000%  kept
          HN    GLY  101 - HB3   LEU   40   8.65 +/- 0.79   0.124% *  0.0761% (0.18   0.02   0.02) =   0.000%
          HN    LEU   40 - HB3   LEU  115  18.09 +/- 0.74   0.001% *  0.0500% (0.12   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   LEU  115  20.08 +/- 0.64   0.001% *  0.0089% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2551 (8.89, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 5.08, residual support = 107.1:
      O   HN    LEU   40 - HB2   LEU   40   2.28 +/- 0.22  99.931% * 99.9637% (0.76   5.08 107.07) = 100.000%  kept
          HN    LEU   40 - HB2   LEU   67   8.05 +/- 0.52   0.069% *  0.0363% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2552 (0.17, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 3.99, residual support = 32.9:
          QG2   VAL   70 - HB2   LEU   40   2.67 +/- 0.63  82.995% * 99.9538% (0.80   3.99  32.89) =  99.991%  kept
          QG2   VAL   70 - HB2   LEU   67   3.79 +/- 0.34  17.005% *  0.0462% (0.07   0.02   0.11) =   0.009%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2553 (0.18, 1.48, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.99, residual support = 32.9:
        T QG2   VAL   70 - HB3   LEU   40   2.51 +/- 0.76  99.978% * 99.9412% (0.98   3.99  32.89) = 100.000%  kept
        T QG2   VAL   70 - HB3   LEU  115  12.04 +/- 0.60   0.022% *  0.0588% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2554 (4.37, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.175, support = 5.35, residual support = 106.9:
      O T HA    LEU   40 - HG    LEU   40   3.11 +/- 0.19  89.315% * 84.5733% (0.18   5.36 107.07) =  99.844%  kept
          HA    LYS+  99 - HG    LEU   40   5.39 +/- 0.45   3.447% *  1.7665% (0.98   0.02  14.08) =   0.080%
          HA    ASP- 113 - HG    LEU  115   6.14 +/- 1.36   3.380% *  0.9632% (0.53   0.02   0.02) =   0.043%
          HA    ILE   56 - HG    LEU  115   6.02 +/- 0.20   1.807% *  0.9051% (0.50   0.02   0.02) =   0.022%
          HA    PHE   59 - HG    LEU  115   6.19 +/- 0.51   1.686% *  0.3559% (0.20   0.02  22.88) =   0.008%
        T HA    ASN   35 - HG    LEU   40  10.06 +/- 0.32   0.083% *  1.6162% (0.90   0.02   0.02) =   0.002%
          HA    LYS+  99 - HG    LEU   73  10.88 +/- 1.31   0.062% *  0.3293% (0.18   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU  115  12.85 +/- 0.98   0.021% *  0.7974% (0.44   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU   40  14.06 +/- 0.59   0.011% *  1.3773% (0.76   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU   73  11.22 +/- 0.75   0.046% *  0.3013% (0.17   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU   73   9.79 +/- 1.24   0.116% *  0.0588% (0.03   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   40  14.99 +/- 0.78   0.008% *  0.6147% (0.34   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   40  17.64 +/- 0.93   0.003% *  1.5632% (0.87   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   40  20.12 +/- 0.33   0.001% *  1.6636% (0.92   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  115  19.79 +/- 1.08   0.001% *  1.0227% (0.57   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   73  17.69 +/- 0.49   0.003% *  0.2914% (0.16   0.02   0.02) =   0.000%
        T HA    LEU   40 - HG    LEU  115  18.28 +/- 1.29   0.002% *  0.1827% (0.10   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   73  16.96 +/- 0.51   0.004% *  0.1146% (0.06   0.02   0.02) =   0.000%
        T HA    ASN   35 - HG    LEU  115  24.79 +/- 1.32   0.000% *  0.9357% (0.52   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU   73  21.17 +/- 0.89   0.001% *  0.2568% (0.14   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   73  24.02 +/- 0.90   0.000% *  0.3102% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2556 (0.18, 1.46, 26.98 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.0, residual support = 32.9:
        T QG2   VAL   70 - HG    LEU   40   2.56 +/- 0.82  98.623% * 99.6188% (0.98   4.00  32.89) =  99.999%  kept
        T QG2   VAL   70 - HG    LEU   73   6.78 +/- 0.77   1.356% *  0.0929% (0.18   0.02   0.02) =   0.001%
        T QG2   VAL   70 - HG    LEU  115  13.03 +/- 1.11   0.022% *  0.2883% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2557 (0.17, 0.91, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.47, residual support = 32.9:
          QG2   VAL   70 - QD1   LEU   40   1.84 +/- 0.06 100.000% *100.0000% (0.80   3.47  32.89) = 100.000%  kept
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2558 (0.20, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.5, residual support = 32.9:
          QG2   VAL   70 - QD2   LEU   40   3.05 +/- 0.41 100.000% *100.0000% (0.53   4.50  32.89) = 100.000%  kept
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2559 (0.66, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 0.02, residual support = 0.02:
          QG2   ILE   19 - QD2   LEU   40   9.98 +/- 0.66 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.87 A violated in 20 structures by 7.11 A, eliminated.
    Peak unassigned.
 
    Peak 2560 (1.47, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.747, support = 4.78, residual support = 107.1:
      O T HG    LEU   40 - QD2   LEU   40   2.10 +/- 0.02  72.062% * 36.0996% (0.65   4.34 107.07) =  59.861%  kept
      O   HB3   LEU   40 - QD2   LEU   40   2.57 +/- 0.40  27.762% * 62.8293% (0.90   5.44 107.07) =  40.138%  kept
          HG    LEU   67 - QD2   LEU   40   6.53 +/- 0.68   0.102% *  0.1967% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD2   LEU   40   8.19 +/- 1.08   0.029% *  0.0716% (0.28   0.02   0.02) =   0.000%
        T HG    LEU   73 - QD2   LEU   40   8.25 +/- 1.37   0.034% *  0.0509% (0.20   0.02   0.02) =   0.000%
          QB    ALA  120 - QD2   LEU   40  10.71 +/- 0.43   0.004% *  0.2569% (1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD2   LEU   40  11.58 +/- 0.56   0.003% *  0.1665% (0.65   0.02   0.02) =   0.000%
        T HG    LEU  115 - QD2   LEU   40  12.76 +/- 1.05   0.002% *  0.2569% (1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD2   LEU   40  12.40 +/- 0.55   0.002% *  0.0716% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 0.233, support = 2.21, residual support = 14.1:
        T HB3   LYS+  99 - QD2   LEU   40   2.49 +/- 0.56  80.996% * 48.6747% (0.22   2.30  14.08) =  81.108%  kept
        T HB2   LYS+  99 - QD2   LEU   40   3.49 +/- 0.50  18.903% * 48.5745% (0.28   1.84  14.08) =  18.890%  kept
          HB    VAL   43 - QD2   LEU   40   7.45 +/- 0.40   0.093% *  0.7146% (0.38   0.02   0.02) =   0.001%
          HB    ILE   89 - QD2   LEU   40  14.17 +/- 0.35   0.002% *  1.1548% (0.61   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD2   LEU   40  11.74 +/- 0.26   0.006% *  0.2938% (0.15   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   40  18.72 +/- 0.39   0.000% *  0.5876% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2562 (3.47, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.254, support = 0.0189, residual support = 0.0189:
          HB2   HIS  122 - QD2   LEU   40   8.51 +/- 0.57  56.041% * 19.5836% (0.31   0.02   0.02) =  66.548%  kept
          HA    LEU   63 - QD2   LEU   40   8.95 +/- 0.29  41.347% * 11.1120% (0.18   0.02   0.02) =  27.859%  kept
          HA    LYS+ 112 - QD2   LEU   40  14.87 +/- 0.34   1.987% * 35.9222% (0.57   0.02   0.02) =   4.327%
          HB2   HIS   22 - QD2   LEU   40  18.15 +/- 0.49   0.625% * 33.3822% (0.53   0.02   0.02) =   1.266%
    Distance limit 3.96 A violated in 20 structures by 3.77 A, eliminated.
    Peak unassigned.
 
    Peak 2563 (3.02, 0.98, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.55, residual support = 14.1:
          QE    LYS+  99 - QD2   LEU   40   2.99 +/- 0.52  99.693% * 98.7852% (0.69   4.55  14.08) =  99.998%  kept
          QE    LYS+ 102 - QD2   LEU   40   8.88 +/- 0.31   0.210% *  0.6317% (1.00   0.02   0.02) =   0.001%
          QE    LYS+  38 - QD2   LEU   40  10.15 +/- 0.35   0.097% *  0.5831% (0.92   0.02   0.02) =   0.001%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2564 (2.37, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 1.68, residual support = 3.45:
        T HB3   PHE   97 - QD2   LEU   40   2.36 +/- 0.24  99.863% * 95.5102% (0.84   1.68   3.45) =  99.998%  kept
          HB2   GLU- 100 - QD2   LEU   40   7.37 +/- 0.20   0.126% *  1.3483% (0.99   0.02   0.02) =   0.002%
          QG    GLN   32 - QD2   LEU   40  11.77 +/- 0.42   0.008% *  0.4640% (0.34   0.02   0.02) =   0.000%
          HB2   GLN  116 - QD2   LEU   40  14.97 +/- 0.37   0.002% *  1.2868% (0.95   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD2   LEU   40  16.93 +/- 0.76   0.001% *  0.8800% (0.65   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD2   LEU   40  16.82 +/- 0.23   0.001% *  0.5106% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2565 (1.95, 0.91, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.44, residual support = 107.1:
      O T HB2   LEU   40 - QD1   LEU   40   2.35 +/- 0.25  97.591% * 98.5824% (0.84   4.44 107.07) =  99.994%  kept
        T HB2   LEU   67 - QD1   LEU   40   4.44 +/- 0.30   2.354% *  0.2185% (0.41   0.02   0.02) =   0.005%
          HB3   MET   96 - QD1   LEU   40   9.16 +/- 0.33   0.034% *  0.2383% (0.45   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   LEU   40  10.30 +/- 1.09   0.019% *  0.3651% (0.69   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD1   LEU   40  14.62 +/- 0.91   0.002% *  0.1052% (0.20   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD1   LEU   40  19.50 +/- 0.31   0.000% *  0.4906% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2566 (1.96, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.44, residual support = 107.1:
      O   HB2   LEU   40 - QD2   LEU   40   2.99 +/- 0.35  98.916% * 96.0608% (0.34   5.44 107.07) =  99.989%  kept
        T HB2   LEU   67 - QD2   LEU   40   6.71 +/- 0.38   1.017% *  0.9281% (0.90   0.02   0.02) =   0.010%
          HB    VAL   18 - QD2   LEU   40  11.32 +/- 0.94   0.043% *  1.0348% (1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU   40  12.68 +/- 0.40   0.020% *  0.5445% (0.53   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU   40  17.36 +/- 0.22   0.003% *  0.5037% (0.49   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU   40  20.23 +/- 0.28   0.001% *  0.9281% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2567 (1.47, 0.91, 26.66 ppm):
    9 chemical-shift based assignments, quality = 0.756, support = 4.42, residual support = 107.1:
      O   HG    LEU   40 - QD1   LEU   40   2.09 +/- 0.01  63.038% * 41.3100% (0.65   4.41 107.07) =  56.431%  kept
      O T HB3   LEU   40 - QD1   LEU   40   2.34 +/- 0.23  34.967% * 57.4857% (0.90   4.43 107.07) =  43.559%  kept
        T HG    LEU   67 - QD1   LEU   40   4.07 +/- 0.69   1.964% *  0.2212% (0.76   0.02   0.02) =   0.009%
          QB    ALA  120 - QD1   LEU   40   9.63 +/- 0.25   0.007% *  0.2888% (1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD1   LEU   40   8.97 +/- 0.99   0.012% *  0.0573% (0.20   0.02   0.02) =   0.000%
          HG    LEU  115 - QD1   LEU   40  11.95 +/- 1.06   0.002% *  0.2888% (1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - QD1   LEU   40  11.02 +/- 0.61   0.003% *  0.1872% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   40  10.42 +/- 1.12   0.005% *  0.0805% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU   40  12.18 +/- 0.42   0.002% *  0.0805% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.92 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 = 1.0, support = 4.44, residual support = 107.1:
      O T QD1   LEU   40 - HB2   LEU   40   2.35 +/- 0.25  75.464% * 99.3373% (1.00   4.44 107.07) =  99.986%  kept
      O   QD2   LEU   67 - HB2   LEU   67   2.99 +/- 0.32  22.463% *  0.0370% (0.08   0.02  60.98) =   0.011%
          QD2   LEU   67 - HB2   LEU   40   6.25 +/- 0.79   0.271% *  0.4012% (0.90   0.02   0.02) =   0.001%
        T QD1   LEU   40 - HB2   LEU   67   4.44 +/- 0.30   1.801% *  0.0412% (0.09   0.02   0.02) =   0.001%
          QG1   VAL  108 - HB2   LEU   40  17.64 +/- 0.41   0.000% *  0.1679% (0.38   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   67  17.22 +/- 0.34   0.001% *  0.0155% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 4.43, residual support = 107.1:
      O T QD1   LEU   40 - HB3   LEU   40   2.34 +/- 0.23  99.583% * 99.3100% (1.00   4.43 107.07) =  99.999%  kept
          QD2   LEU   67 - HB3   LEU   40   6.23 +/- 0.59   0.346% *  0.4022% (0.90   0.02   0.02) =   0.001%
          QG1   VAL  108 - HB3   LEU  115   8.61 +/- 0.42   0.045% *  0.0197% (0.04   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB3   LEU  115  10.60 +/- 0.71   0.014% *  0.0472% (0.11   0.02   0.02) =   0.000%
        T QD1   LEU   40 - HB3   LEU  115  11.02 +/- 0.61   0.011% *  0.0526% (0.12   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU   40  17.33 +/- 0.30   0.001% *  0.1683% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2570 (0.99, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.867, support = 4.33, residual support = 107.1:
      O T QD2   LEU   40 - HG    LEU   40   2.10 +/- 0.02  92.716% * 96.5886% (0.87   4.34 107.07) =  99.991%  kept
        T QD1   LEU   67 - HG    LEU   40   4.53 +/- 0.56   1.193% *  0.4291% (0.84   0.02   0.02) =   0.006%
          QD1   ILE  119 - HG    LEU  115   3.71 +/- 0.53   5.137% *  0.0521% (0.10   0.02  12.86) =   0.003%
          QD2   LEU   71 - HG    LEU   73   5.79 +/- 1.18   0.778% *  0.0168% (0.03   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   40   8.42 +/- 0.46   0.024% *  0.3730% (0.73   0.02   0.02) =   0.000%
        T QD2   LEU   40 - HG    LEU   73   8.25 +/- 1.37   0.041% *  0.0831% (0.16   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU   73   7.77 +/- 0.30   0.038% *  0.0831% (0.16   0.02   0.29) =   0.000%
        T QD1   LEU   67 - HG    LEU  115  10.00 +/- 0.97   0.010% *  0.2484% (0.48   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   40   8.44 +/- 0.83   0.026% *  0.0900% (0.18   0.02   0.02) =   0.000%
        T QD1   LEU   67 - HG    LEU   73   9.52 +/- 0.74   0.012% *  0.0800% (0.16   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG    LEU   73   9.38 +/- 0.49   0.012% *  0.0581% (0.11   0.02  45.28) =   0.000%
        T QD2   LEU   40 - HG    LEU  115  12.76 +/- 1.05   0.002% *  0.2580% (0.50   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU  115  12.75 +/- 0.77   0.002% *  0.2160% (0.42   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU   40  14.46 +/- 1.23   0.001% *  0.4456% (0.87   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   73  12.02 +/- 1.39   0.003% *  0.0695% (0.14   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG    LEU   40  16.26 +/- 1.60   0.001% *  0.3116% (0.61   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   40  12.96 +/- 0.46   0.002% *  0.0900% (0.18   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU  115  16.63 +/- 1.08   0.000% *  0.2580% (0.50   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG    LEU  115  17.07 +/- 1.14   0.000% *  0.1804% (0.35   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU  115  17.22 +/- 1.05   0.000% *  0.0521% (0.10   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   73  16.08 +/- 0.61   0.000% *  0.0168% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 0.827, support = 3.44, residual support = 67.1:
      O T QG2   VAL   41 - QG1   VAL   41   2.04 +/- 0.04  88.180% * 70.1275% (0.87   3.60  70.40) =  95.370%  kept
          QD2   LEU   98 - QG1   VAL   41   3.46 +/- 0.76  10.911% * 27.5061% (0.69   1.78  32.33) =   4.629%
        T QD1   LEU   73 - QG1   VAL   41   4.96 +/- 0.31   0.448% *  0.1385% (0.31   0.02   0.02) =   0.001%
          QD2   LEU   63 - QG2   VAL   18   7.28 +/- 0.76   0.054% *  0.3076% (0.69   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG2   VAL   18   6.51 +/- 0.94   0.129% *  0.1059% (0.24   0.02   0.02) =   0.000%
        T QG2   VAL   41 - QG2   VAL   18   8.28 +/- 0.72   0.022% *  0.2975% (0.66   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG2   VAL   18   7.14 +/- 0.35   0.050% *  0.1059% (0.24   0.02   0.02) =   0.000%
          QD2   LEU   63 - QG1   VAL   41   9.52 +/- 0.90   0.010% *  0.4025% (0.90   0.02   0.02) =   0.000%
        T QD2   LEU   98 - QD2   LEU  104   6.33 +/- 0.57   0.111% *  0.0166% (0.04   0.02   7.79) =   0.000%
          QD1   LEU   80 - QG1   VAL   41  10.76 +/- 1.15   0.005% *  0.3083% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG2   VAL   18  10.50 +/- 1.39   0.006% *  0.2356% (0.52   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   9.32 +/- 0.38   0.010% *  0.1385% (0.31   0.02   0.02) =   0.000%
          QD2   LEU   98 - QG2   VAL   18  10.52 +/- 1.00   0.006% *  0.2356% (0.52   0.02   0.02) =   0.000%
        T QG2   VAL   41 - QD2   LEU  104   7.62 +/- 0.48   0.035% *  0.0209% (0.05   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU  104   9.45 +/- 0.89   0.011% *  0.0216% (0.05   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104   9.74 +/- 0.47   0.008% *  0.0074% (0.02   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  10.99 +/- 0.58   0.004% *  0.0074% (0.02   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QD2   LEU  104  15.77 +/- 1.42   0.000% *  0.0166% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2572 (1.30, 0.55, 21.65 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 1.43, residual support = 9.31:
          QB    ALA   34 - QG2   VAL   41   2.95 +/- 0.20  99.352% * 83.4445% (0.18   1.43   9.31) =  99.984%  kept
          HG2   LYS+  99 - QG2   VAL   41   7.37 +/- 0.30   0.434% *  1.3228% (0.20   0.02   0.02) =   0.007%
          QG2   THR   77 - QG2   VAL   41  10.67 +/- 0.20   0.048% *  6.3231% (0.95   0.02   0.02) =   0.004%
          HG2   LYS+  38 - QG2   VAL   41   9.57 +/- 0.23   0.090% *  1.8585% (0.28   0.02   0.02) =   0.002%
          QB    ALA   88 - QG2   VAL   41  11.02 +/- 0.35   0.041% *  4.0543% (0.61   0.02   0.02) =   0.002%
          QG2   THR   23 - QG2   VAL   41  11.36 +/- 0.42   0.035% *  2.9968% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2573 (1.42, 0.55, 21.65 ppm):
    13 chemical-shift based assignments, quality = 0.339, support = 2.84, residual support = 32.2:
        T QB    LEU   98 - QG2   VAL   41   3.24 +/- 0.07  55.207% * 86.3684% (0.34   2.86  32.33) =  99.479%  kept
          HG    LEU   73 - QG2   VAL   41   3.77 +/- 1.27  44.164% *  0.5470% (0.31   0.02   0.02) =   0.504%
          HG12  ILE   19 - QG2   VAL   41   8.37 +/- 0.67   0.184% *  1.7683% (1.00   0.02   0.02) =   0.007%
          HB3   LEU   67 - QG2   VAL   41   9.10 +/- 0.35   0.125% *  1.2174% (0.69   0.02   0.02) =   0.003%
          HG    LEU   80 - QG2   VAL   41  10.38 +/- 0.80   0.053% *  1.7103% (0.97   0.02   0.02) =   0.002%
          HB3   LYS+  74 - QG2   VAL   41   9.84 +/- 0.39   0.067% *  1.0749% (0.61   0.02   0.02) =   0.002%
        T HB2   LEU   80 - QG2   VAL   41  10.59 +/- 0.61   0.047% *  1.4191% (0.80   0.02   0.02) =   0.001%
          QB    ALA   61 - QG2   VAL   41  12.06 +/- 0.23   0.021% *  1.4803% (0.84   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - QG2   VAL   41   9.89 +/- 0.55   0.078% *  0.3946% (0.22   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QG2   VAL   41  12.12 +/- 0.58   0.022% *  1.1465% (0.65   0.02   0.02) =   0.001%
          QB    ALA  110 - QG2   VAL   41  13.70 +/- 0.28   0.010% *  1.7371% (0.98   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   VAL   41  13.00 +/- 0.48   0.014% *  0.8626% (0.49   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   41  15.08 +/- 1.48   0.006% *  0.2734% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 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  10.44 +/- 0.29 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.31 A violated in 20 structures by 7.13 A, eliminated.
    Peak unassigned.
 
    Peak 2575 (9.01, 1.84, 34.57 ppm):
    1 chemical-shift based assignment, quality = 0.472, support = 4.37, residual support = 70.4:
      O   HN    VAL   41 - HB    VAL   41   2.81 +/- 0.36 100.000% *100.0000% (0.47   4.37  70.40) = 100.000%  kept
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2577 (9.70, 0.76, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 2.86, residual support = 32.3:
          HN    LEU   98 - QG1   VAL   41   3.64 +/- 0.43  91.836% * 99.4314% (0.98   2.86  32.33) =  99.996%  kept
          HN    LEU   98 - QD2   LEU  104   5.86 +/- 0.52   8.034% *  0.0373% (0.05   0.02   7.79) =   0.003%
          HN    LEU   98 - QG2   VAL   18  11.31 +/- 0.98   0.130% *  0.5313% (0.75   0.02   0.02) =   0.001%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2578 (7.28, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.563, support = 0.0194, residual support = 0.0194:
          QD    PHE   60 - HB    VAL   41  11.75 +/- 0.34  51.447% * 34.1212% (0.66   0.02   0.02) =  67.861%  kept
          QE    PHE   59 - HB    VAL   41  12.65 +/- 0.43  33.470% * 12.0603% (0.23   0.02   0.02) =  15.605%  kept
          HN    LYS+  66 - HB    VAL   41  15.07 +/- 0.33  11.705% * 29.5320% (0.57   0.02   0.02) =  13.363%  kept
          HN    LYS+  81 - HB    VAL   41  18.53 +/- 0.39   3.378% * 24.2865% (0.47   0.02   0.02) =   3.171%
    Distance limit 4.08 A violated in 20 structures by 6.49 A, eliminated.
    Peak unassigned.
 
    Peak 2579 (8.94, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 5.17, residual support = 23.9:
      O   HN    VAL   42 - HA    VAL   41   2.19 +/- 0.00  99.636% * 99.2581% (0.98   5.17  23.85) =  99.999%  kept
          HN    LEU   73 - HA    VAL   41   5.77 +/- 0.41   0.331% *  0.3837% (0.98   0.02   0.02) =   0.001%
          HN    ILE   19 - HA    VAL   41   8.56 +/- 0.43   0.030% *  0.2374% (0.61   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   41  12.47 +/- 0.13   0.003% *  0.1208% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2580 (9.17, 4.44, 60.39 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.07, residual support = 40.8:
      O   HN    VAL   43 - HA    VAL   42   2.20 +/- 0.01 100.000% * 99.9072% (0.90   5.07  40.83) = 100.000%  kept
          HN    VAL   43 - HA    PHE   55  17.68 +/- 0.31   0.000% *  0.0928% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 0.336, support = 0.0197, residual support = 0.0197:
          QD2   LEU   31 - QG2   VAL   41   2.45 +/- 0.54  99.426% * 16.0745% (0.34   0.02   0.02) =  98.583%  kept
          QG2   VAL   83 - QG2   VAL   41   6.97 +/- 0.42   0.421% * 37.7342% (0.80   0.02   0.02) =   0.981%
          QD1   ILE   89 - QG2   VAL   41   8.28 +/- 0.28   0.153% * 46.1912% (0.98   0.02   0.02) =   0.436%
    Distance limit 3.30 A violated in 2 structures by 0.07 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2583 (1.82, 1.39, 32.90 ppm):
    18 chemical-shift based assignments, quality = 0.646, support = 0.0177, residual support = 13.4:
        T HB    VAL   41 - HB    VAL   42   6.35 +/- 0.17  42.566% *  8.6109% (0.84   0.02  23.85) =  55.405%  kept
          HB2   LEU   71 - HB    VAL   42   6.61 +/- 0.52  35.629% *  4.3431% (0.42   0.02   0.94) =  23.391%  kept
          QB    LYS+  66 - HB    VAL   42   8.61 +/- 0.35   7.138% *  8.9028% (0.87   0.02   0.02) =   9.606%  kept
          HG2   PRO   93 - HB2   LYS+ 112   8.93 +/- 0.19   5.449% *  5.4621% (0.53   0.02   0.02) =   4.499%
          HB3   PRO   52 - HB2   LYS+ 112   9.85 +/- 0.47   3.139% *  3.8192% (0.37   0.02   0.02) =   1.812%
          HG12  ILE  103 - HB    VAL   42  11.18 +/- 0.69   1.543% *  7.7397% (0.75   0.02   0.02) =   1.805%
          QB    LYS+  65 - HB    VAL   42  10.17 +/- 0.24   2.530% *  4.6944% (0.46   0.02   0.02) =   1.795%
        T QB    LYS+ 102 - HB    VAL   42  12.53 +/- 0.56   0.744% *  5.7721% (0.56   0.02   0.02) =   0.649%
          HG2   PRO   93 - HB    VAL   42  14.77 +/- 0.38   0.270% *  7.7397% (0.75   0.02   0.02) =   0.316%
          QB    LYS+  66 - HB2   LYS+ 112  15.17 +/- 0.36   0.231% *  6.2829% (0.61   0.02   0.02) =   0.219%
          HG    LEU  123 - HB2   LYS+ 112  14.59 +/- 0.76   0.300% *  3.8192% (0.37   0.02   0.02) =   0.173%
          HG    LEU  123 - HB    VAL   42  15.62 +/- 0.70   0.201% *  5.4118% (0.53   0.02   0.02) =   0.165%
          QB    LYS+  65 - HB2   LYS+ 112  16.53 +/- 0.38   0.138% *  3.3129% (0.32   0.02   0.02) =   0.069%
          HB3   PRO   52 - HB    VAL   42  19.63 +/- 0.23   0.048% *  5.4118% (0.53   0.02   0.02) =   0.040%
          HG12  ILE  103 - HB2   LYS+ 112  21.68 +/- 0.42   0.027% *  5.4621% (0.53   0.02   0.02) =   0.022%
        T HB    VAL   41 - HB2   LYS+ 112  23.19 +/- 0.66   0.018% *  6.0769% (0.59   0.02   0.02) =   0.017%
        T QB    LYS+ 102 - HB2   LYS+ 112  23.05 +/- 0.46   0.018% *  4.0735% (0.40   0.02   0.02) =   0.011%
          HB2   LEU   71 - HB2   LYS+ 112  25.29 +/- 0.36   0.011% *  3.0650% (0.30   0.02   0.02) =   0.005%
    Distance limit 3.68 A violated in 20 structures by 1.96 A, eliminated.
    Peak unassigned.
 
    Peak 2584 (8.96, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.641, support = 5.36, residual support = 88.3:
          HN    VAL   42 - QG2   VAL   42   2.93 +/- 0.20  94.239% * 99.1788% (0.64   5.36  88.32) =  99.978%  kept
          HN    LEU   73 - QG2   VAL   42   5.52 +/- 1.00   5.140% *  0.3701% (0.64   0.02   1.86) =   0.020%
          HN    LYS+ 106 - QG2   VAL   42   7.65 +/- 0.68   0.399% *  0.3701% (0.64   0.02   0.02) =   0.002%
          HN    ILE   19 - QG2   VAL   42   8.16 +/- 0.93   0.222% *  0.0809% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2585 (9.17, 0.15, 20.83 ppm):
    1 chemical-shift based assignment, quality = 0.718, support = 5.17, residual support = 40.8:
          HN    VAL   43 - QG2   VAL   42   3.88 +/- 0.13 100.000% *100.0000% (0.72   5.17  40.83) = 100.000%  kept
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2586 (4.44, 0.37, 21.48 ppm):
    14 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 88.3:
      O T HA    VAL   42 - QG1   VAL   42   2.46 +/- 0.14  93.185% * 96.9099% (0.97   4.00  88.32) =  99.984%  kept
          HA    THR   46 - QB    ALA   47   3.91 +/- 0.03   5.970% *  0.2202% (0.44   0.02  12.68) =   0.015%
          HA    GLN   90 - QB    ALA   47   5.93 +/- 0.91   0.624% *  0.1570% (0.31   0.02   0.02) =   0.001%
        T HA    GLN   17 - QG1   VAL   42   8.91 +/- 0.40   0.046% *  0.2939% (0.59   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   47   7.85 +/- 0.50   0.097% *  0.1163% (0.23   0.02   0.02) =   0.000%
          HA    THR   46 - QG1   VAL   42   9.87 +/- 0.24   0.024% *  0.2549% (0.51   0.02   0.02) =   0.000%
        T HA    PHE   55 - QB    ALA   47  10.10 +/- 0.50   0.021% *  0.2369% (0.47   0.02   0.02) =   0.000%
          HA    ALA  110 - QG1   VAL   42  10.15 +/- 0.24   0.020% *  0.1347% (0.27   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG1   VAL   42  13.49 +/- 0.28   0.004% *  0.2743% (0.55   0.02   0.02) =   0.000%
        T HA    VAL   42 - QB    ALA   47  14.50 +/- 0.06   0.002% *  0.4184% (0.83   0.02   0.02) =   0.000%
          HA    SER   37 - QG1   VAL   42  13.91 +/- 0.30   0.003% *  0.2939% (0.59   0.02   0.02) =   0.000%
          HA    GLN   90 - QG1   VAL   42  13.69 +/- 0.51   0.003% *  0.1819% (0.36   0.02   0.02) =   0.000%
        T HA    GLN   17 - QB    ALA   47  17.33 +/- 0.43   0.001% *  0.2538% (0.51   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   47  25.87 +/- 0.29   0.000% *  0.2538% (0.51   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 0.846, support = 0.0192, residual support = 0.0192:
          QD    PHE   60 - QG1   VAL   42   4.16 +/- 0.38  76.058% * 18.3095% (0.93   0.02   0.02) =  87.978%  kept
          QE    PHE   59 - QG1   VAL   42   5.26 +/- 0.46  19.746% *  6.4716% (0.33   0.02   0.02) =   8.073%  kept
          HN    LYS+  66 - QG1   VAL   42   7.28 +/- 0.28   2.953% * 15.8469% (0.81   0.02   0.02) =   2.956%
          QD    PHE   60 - QB    ALA   47   9.27 +/- 0.37   0.689% * 15.8117% (0.80   0.02   0.02) =   0.688%
          HN    LYS+  81 - QB    ALA   47  10.99 +/- 0.62   0.248% * 11.2543% (0.57   0.02   0.02) =   0.176%
          QE    PHE   59 - QB    ALA   47  10.88 +/- 0.38   0.264% *  5.5887% (0.28   0.02   0.02) =   0.093%
          HN    LYS+  81 - QG1   VAL   42  15.75 +/- 0.35   0.027% * 13.0321% (0.66   0.02   0.02) =   0.022%
          HN    LYS+  66 - QB    ALA   47  17.46 +/- 0.36   0.015% * 13.6851% (0.70   0.02   0.02) =   0.013%
    Distance limit 3.35 A violated in 19 structures by 0.64 A, eliminated.
    Peak unassigned.
 
    Peak 2588 (8.96, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.773, support = 5.06, residual support = 79.7:
          HN    VAL   42 - QG1   VAL   42   3.72 +/- 0.06  68.766% * 78.3360% (0.77   5.47  88.32) =  90.077%  kept
          HN    LEU   73 - QG1   VAL   42   4.34 +/- 0.37  28.905% * 20.5178% (0.77   1.43   1.86) =   9.917%  kept
          HN    LYS+ 106 - QG1   VAL   42   7.75 +/- 0.33   0.916% *  0.2867% (0.77   0.02   0.02) =   0.004%
          HN    ILE   19 - QG1   VAL   42   7.18 +/- 0.41   1.341% *  0.0627% (0.17   0.02   0.02) =   0.001%
          HN    LEU   73 - QB    ALA   47  13.42 +/- 0.16   0.031% *  0.2476% (0.67   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QB    ALA   47  15.41 +/- 0.29   0.014% *  0.2476% (0.67   0.02   0.02) =   0.000%
          HN    VAL   42 - QB    ALA   47  15.86 +/- 0.07   0.011% *  0.2476% (0.67   0.02   0.02) =   0.000%
          HN    ILE   19 - QB    ALA   47  15.00 +/- 0.24   0.016% *  0.0541% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2589 (9.19, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.397, support = 5.17, residual support = 40.8:
          HN    VAL   43 - QG1   VAL   42   2.70 +/- 0.20  99.984% * 99.3993% (0.40   5.17  40.83) = 100.000%  kept
          HN    VAL   43 - QB    ALA   47  12.77 +/- 0.09   0.010% *  0.3319% (0.34   0.02   0.02) =   0.000%
          HN    VAL   24 - QG1   VAL   42  15.12 +/- 0.32   0.003% *  0.1442% (0.15   0.02   0.02) =   0.000%
          HN    VAL   24 - QB    ALA   47  15.37 +/- 0.59   0.003% *  0.1246% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2590 (9.40, 0.37, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.431, support = 0.0199, residual support = 0.0199:
          HN    LEU  104 - QG1   VAL   42   7.71 +/- 0.40  99.443% * 53.6601% (0.43   0.02   0.02) =  99.518%  kept
          HN    LEU  104 - QB    ALA   47  18.41 +/- 0.28   0.557% * 46.3399% (0.37   0.02   0.02) =   0.482%
    Distance limit 4.15 A violated in 20 structures by 3.56 A, eliminated.
    Peak unassigned.
 
    Peak 2591 (6.65, 0.37, 21.60 ppm):
    6 chemical-shift based assignments, quality = 0.292, support = 3.93, residual support = 16.9:
          HN    TRP   49 - QB    ALA   47   2.51 +/- 0.15  99.875% * 95.3014% (0.29   3.93  16.92) =  99.999%  kept
          HE22  GLN   30 - QG1   VAL   42   8.63 +/- 0.43   0.067% *  0.8729% (0.53   0.02   0.02) =   0.001%
          HD22  ASN   69 - QG1   VAL   42   8.92 +/- 0.63   0.054% *  1.0041% (0.61   0.02   0.02) =   0.001%
          HE22  GLN   30 - QB    ALA   47  16.99 +/- 0.62   0.001% *  1.1397% (0.69   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   42  15.63 +/- 0.33   0.002% *  0.3710% (0.22   0.02   0.02) =   0.000%
          HD22  ASN   69 - QB    ALA   47  22.14 +/- 0.58   0.000% *  1.3109% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 0.389, support = 2.36, residual support = 9.06:
      O   HN    ALA   47 - QB    ALA   47   2.28 +/- 0.08  96.060% * 96.0116% (0.39   2.36   9.07) =  99.938%  kept
          QD    PHE   95 - QG1   VAL   42   3.91 +/- 0.11   3.912% *  1.4601% (0.70   0.02   1.49) =   0.062%
          QD    PHE   95 - QB    ALA   47   9.11 +/- 0.29   0.024% *  1.9063% (0.91   0.02   0.02) =   0.000%
          HN    ALA   47 - QG1   VAL   42  11.86 +/- 0.27   0.005% *  0.6220% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.612, support = 2.79, residual support = 23.7:
        T HB3   LEU   73 - QG1   VAL   43   3.64 +/- 1.09  68.324% *  9.1895% (0.69   0.64   9.57) =  44.794%  kept
          HB    VAL   42 - QG1   VAL   43   5.07 +/- 0.59   9.669% * 62.3571% (0.62   4.81  40.83) =  43.016%  kept
          HB3   ASP-  44 - QG1   VAL   43   6.21 +/- 0.54   6.505% * 25.6736% (0.34   3.63  15.63) =  11.914%  kept
          HG    LEU   98 - QG1   VAL   43   5.83 +/- 1.11  10.668% *  0.2440% (0.58   0.02   0.02) =   0.186%
          QB    ALA   84 - QG1   VAL   43   7.45 +/- 0.56   2.008% *  0.2882% (0.69   0.02   0.02) =   0.041%
          HG3   LYS+ 106 - QG1   VAL   43   8.74 +/- 1.06   1.104% *  0.3568% (0.85   0.02   0.02) =   0.028%
          HB3   PRO   93 - QG1   VAL   43   9.92 +/- 1.02   0.516% *  0.3020% (0.72   0.02   0.02) =   0.011%
          HB3   LEU   80 - QG1   VAL   43   8.49 +/- 0.82   0.667% *  0.0746% (0.18   0.02   0.02) =   0.004%
          HG3   LYS+  33 - QG1   VAL   43  10.20 +/- 1.23   0.137% *  0.2287% (0.54   0.02   0.02) =   0.002%
          HB2   LEU   63 - QG1   VAL   43   9.27 +/- 0.50   0.278% *  0.1049% (0.25   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - QG1   VAL   43  12.31 +/- 0.81   0.057% *  0.3020% (0.72   0.02   0.02) =   0.001%
          HG3   LYS+  65 - QG1   VAL   43  13.36 +/- 1.00   0.033% *  0.2591% (0.62   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - QG1   VAL   43  17.02 +/- 0.79   0.011% *  0.3271% (0.78   0.02   0.02) =   0.000%
          QB    ALA  124 - QG1   VAL   43  16.26 +/- 0.55   0.010% *  0.1984% (0.47   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   43  16.10 +/- 1.54   0.012% *  0.0940% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 7 structures by 0.19 A, kept.
 
    Peak 2594 (6.33, 0.76, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.267, support = 2.15, residual support = 9.03:
        T HH2   TRP   27 - QG1   VAL   43   2.08 +/- 0.46  63.025% * 39.7368% (0.31   1.43   9.03) =  52.918%  kept
        T HZ3   TRP   27 - QG1   VAL   43   2.38 +/- 0.79  36.975% * 60.2632% (0.22   2.96   9.03) =  47.082%  kept
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2595 (9.17, 0.76, 21.16 ppm):
    1 chemical-shift based assignment, quality = 0.804, support = 5.35, residual support = 61.1:
          HN    VAL   43 - QG1   VAL   43   2.72 +/- 0.24 100.000% *100.0000% (0.80   5.35  61.11) = 100.000%  kept
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2596 (8.80, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.389, support = 3.7, residual support = 15.6:
          HN    ASP-  44 - QG2   VAL   43   2.80 +/- 0.27  92.962% * 97.7017% (0.39   3.70  15.63) =  99.980%  kept
          HN    ASN   28 - QD2   LEU   31   4.85 +/- 0.53   6.456% *  0.2468% (0.18   0.02  17.67) =   0.018%
          HN    ASN   28 - QG2   VAL   43   8.24 +/- 0.47   0.188% *  0.8602% (0.63   0.02   0.02) =   0.002%
          HN    ASP-  44 - QD2   LEU   31   8.20 +/- 0.45   0.186% *  0.1514% (0.11   0.02   0.02) =   0.000%
          HN    GLU-  25 - QG2   VAL   43  10.33 +/- 0.33   0.044% *  0.4903% (0.36   0.02   0.02) =   0.000%
          HN    GLU-  25 - QD2   LEU   31   8.55 +/- 0.48   0.142% *  0.1407% (0.10   0.02   0.02) =   0.000%
          HN    ASN   69 - QG2   VAL   43  13.02 +/- 0.48   0.011% *  0.3179% (0.23   0.02   0.02) =   0.000%
          HN    ASN   69 - QD2   LEU   31  13.03 +/- 0.65   0.011% *  0.0912% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2597 (9.17, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.866, support = 4.24, residual support = 61.1:
      O   HN    VAL   43 - HB    VAL   43   2.73 +/- 0.11 100.000% *100.0000% (0.87   4.24  61.11) = 100.000%  kept
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2598 (9.31, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.508, support = 1.5, residual support = 16.4:
          HN    MET   96 - HB    VAL   43   3.56 +/- 0.21 100.000% *100.0000% (0.51   1.50  16.41) = 100.000%  kept
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2599 (6.87, 1.34, 38.87 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.02, residual support = 12.8:
        T QD    PHE   45 - HB3   ASP-  44   5.79 +/- 0.15 100.000% *100.0000% (0.80   0.02  12.79) = 100.000%  kept
    Distance limit 4.22 A violated in 20 structures by 1.58 A, eliminated.
    Peak unassigned.
 
    Peak 2600 (8.78, 1.34, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.37, residual support = 35.4:
      O   HN    ASP-  44 - HB3   ASP-  44   3.26 +/- 0.13  99.990% * 99.1511% (0.98   3.37  35.37) = 100.000%  kept
          HN    GLU-  25 - HB3   ASP-  44  18.53 +/- 0.40   0.003% *  0.5797% (0.97   0.02   0.02) =   0.000%
          HN    ASN   28 - HB3   ASP-  44  16.34 +/- 0.51   0.006% *  0.2693% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2601 (4.92, 2.27, 38.87 ppm):
    2 chemical-shift based assignments, quality = 0.918, support = 0.0199, residual support = 0.233:
          HA    LYS+  74 - HB2   ASP-  44   4.60 +/- 0.68  99.417% * 53.5496% (0.92   0.02   0.23) =  99.494%  kept
        T HA    MET   92 - HB2   ASP-  44  11.61 +/- 0.43   0.583% * 46.4504% (0.80   0.02   0.02) =   0.506%
    Distance limit 4.37 A violated in 12 structures by 0.39 A, eliminated.
    Peak unassigned.
 
    Peak 2602 (8.78, 2.27, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.03, residual support = 35.4:
      O   HN    ASP-  44 - HB2   ASP-  44   2.44 +/- 0.28  99.997% * 99.0570% (0.98   3.03  35.37) = 100.000%  kept
          HN    GLU-  25 - HB2   ASP-  44  17.50 +/- 0.72   0.001% *  0.6439% (0.97   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASP-  44  15.47 +/- 0.72   0.002% *  0.2991% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2603 (8.77, 4.29, 51.33 ppm):
    4 chemical-shift based assignments, quality = 0.485, support = 3.91, residual support = 24.0:
      O   HN    PHE   45 - HA    ASP-  44   2.28 +/- 0.01  81.268% * 18.8493% (0.18   4.04  12.79) =  50.401%  kept
      O   HN    ASP-  44 - HA    ASP-  44   2.91 +/- 0.00  18.721% * 80.5238% (0.80   3.77  35.37) =  49.599%  kept
          HN    ALA  110 - HA    ASP-  44  10.07 +/- 0.27   0.011% *  0.1818% (0.34   0.02   0.02) =   0.000%
          HN    GLU-  25 - HA    ASP-  44  17.31 +/- 0.36   0.000% *  0.4451% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 4.74:
          HA    PHE   95 - HA    ASP-  44   2.41 +/- 0.24 100.000% *100.0000% (0.87   2.00   4.74) = 100.000%  kept
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2605 (3.96, 3.05, 39.30 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 2.96, residual support = 27.2:
        T HB    THR   94 - HB2   PHE   45   2.61 +/- 0.26  99.852% * 93.5636% (0.65   2.96  27.20) =  99.999%  kept
          QB    SER   48 - HB2   PHE   45  10.22 +/- 0.40   0.034% *  0.7476% (0.76   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   PHE   45  10.73 +/- 0.41   0.023% *  0.9440% (0.97   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   PHE   45   9.94 +/- 0.17   0.038% *  0.3337% (0.34   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PHE   45   9.73 +/- 0.33   0.041% *  0.1713% (0.18   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   45  13.52 +/- 0.19   0.006% *  0.4761% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PHE   45  17.94 +/- 0.36   0.001% *  0.9030% (0.92   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   45  15.24 +/- 0.28   0.003% *  0.2439% (0.25   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PHE   45  20.39 +/- 0.31   0.000% *  0.9253% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PHE   45  20.85 +/- 0.54   0.000% *  0.9440% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   45  19.61 +/- 0.33   0.001% *  0.5538% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PHE   45  19.84 +/- 0.47   0.001% *  0.1936% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2606 (1.28, 3.05, 39.30 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 2.22, residual support = 10.4:
          QG2   THR   77 - HB2   PHE   45   3.79 +/- 0.06  95.029% * 95.2570% (0.45   2.22  10.42) =  99.958%  kept
          QG2   ILE   56 - HB2   PHE   45   6.49 +/- 0.29   3.877% *  0.8597% (0.45   0.02   0.02) =   0.037%
          QB    ALA   88 - HB2   PHE   45   8.16 +/- 0.44   1.005% *  0.2959% (0.15   0.02   0.02) =   0.003%
          QG2   THR   23 - HB2   PHE   45  13.56 +/- 0.33   0.045% *  1.8139% (0.95   0.02   0.02) =   0.001%
          QB    ALA   34 - HB2   PHE   45  13.73 +/- 0.24   0.042% *  1.2405% (0.65   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HB2   PHE   45  24.32 +/- 0.47   0.001% *  0.5331% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2607 (0.63, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 0.75, residual support = 10.9:
        T QG2   ILE   89 - HB2   PHE   45   2.41 +/- 0.26  99.924% * 98.0573% (1.00   0.75  10.92) =  99.999%  kept
          QG1   VAL   83 - HB2   PHE   45   9.96 +/- 0.84   0.074% *  1.4837% (0.57   0.02   1.23) =   0.001%
          QD1   LEU  104 - HB2   PHE   45  14.94 +/- 0.51   0.002% *  0.4590% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2608 (1.31, 2.42, 39.30 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.63, residual support = 10.4:
          QG2   THR   77 - HB3   PHE   45   2.42 +/- 0.07  99.869% * 97.2019% (0.87   2.63  10.42) =  99.999%  kept
          QB    ALA   88 - HB3   PHE   45   8.41 +/- 0.40   0.060% *  0.8445% (0.99   0.02   0.02) =   0.001%
          HB3   LEU   80 - HB3   PHE   45   8.69 +/- 1.15   0.066% *  0.1686% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   PHE   45  13.22 +/- 0.42   0.004% *  0.3198% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   PHE   45  16.16 +/- 0.51   0.001% *  0.2630% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   PHE   45  20.41 +/- 0.24   0.000% *  0.5512% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   PHE   45  24.35 +/- 0.43   0.000% *  0.6511% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2609 (0.64, 2.42, 39.30 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.75, residual support = 10.9:
        T QG2   ILE   89 - HB3   PHE   45   2.19 +/- 0.30 100.000% *100.0000% (0.69   0.75  10.92) = 100.000%  kept
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2610 (6.84, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.92, residual support = 77.3:
      O   QD    PHE   45 - HB2   PHE   45   2.49 +/- 0.03  99.997% * 98.4746% (0.65   3.92  77.25) = 100.000%  kept
          HD2   HIS  122 - HB2   PHE   45  15.65 +/- 0.32   0.002% *  0.6972% (0.90   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB2   PHE   45  18.79 +/- 0.99   0.001% *  0.6744% (0.87   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   PHE   45  21.10 +/- 1.13   0.000% *  0.1539% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2611 (8.75, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 3.66, residual support = 77.3:
      O   HN    PHE   45 - HB2   PHE   45   2.15 +/- 0.04  99.784% * 98.9620% (0.73   3.66  77.25) = 100.000%  kept
          HN    ASP-  44 - HB2   PHE   45   6.12 +/- 0.09   0.190% *  0.1656% (0.22   0.02  12.79) =   0.000%
          HN    ALA  110 - HB2   PHE   45   8.61 +/- 0.32   0.025% *  0.6868% (0.92   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PHE   45  16.45 +/- 0.38   0.001% *  0.1855% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 4.62, residual support = 77.3:
      O   QD    PHE   45 - HB3   PHE   45   2.33 +/- 0.02  99.999% * 98.7034% (0.65   4.62  77.25) = 100.000%  kept
          HD2   HIS  122 - HB3   PHE   45  17.24 +/- 0.31   0.001% *  0.5926% (0.90   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB3   PHE   45  20.13 +/- 1.03   0.000% *  0.5732% (0.87   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   PHE   45  21.17 +/- 1.25   0.000% *  0.1308% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2613 (8.75, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 3.99, residual support = 77.3:
      O   HN    PHE   45 - HB3   PHE   45   3.43 +/- 0.01  98.195% * 99.0465% (0.73   3.99  77.25) =  99.996%  kept
          HN    ASP-  44 - HB3   PHE   45   6.85 +/- 0.08   1.554% *  0.1522% (0.22   0.02  12.79) =   0.002%
          HN    ALA  110 - HB3   PHE   45   9.39 +/- 0.36   0.240% *  0.6309% (0.92   0.02   0.02) =   0.002%
          HN    GLU-  25 - HB3   PHE   45  15.60 +/- 0.34   0.011% *  0.1704% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 1.23, residual support = 3.96:
          HA    ASP-  76 - QG2   THR   46   2.31 +/- 0.54 100.000% *100.0000% (0.41   1.23   3.96) = 100.000%  kept
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2615 (8.48, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.39, residual support = 34.5:
          HN    THR   46 - QG2   THR   46   2.23 +/- 0.13  99.808% * 97.6986% (0.76   3.39  34.52) =  99.999%  kept
          HN    LYS+  74 - QG2   THR   46   6.89 +/- 0.34   0.133% *  0.7550% (1.00   0.02   0.02) =   0.001%
          HN    MET   92 - QG2   THR   46   7.84 +/- 0.44   0.057% *  0.4274% (0.57   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   46  13.93 +/- 0.62   0.002% *  0.4884% (0.65   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   46  24.94 +/- 3.94   0.000% *  0.6306% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2616 (7.03, 0.75, 18.88 ppm):
    2 chemical-shift based assignments, quality = 0.249, support = 3.2, residual support = 12.7:
          HN    ALA   47 - QG2   THR   46   3.61 +/- 0.31  98.364% * 97.9520% (0.25   3.20  12.68) =  99.965%  kept
          QD    PHE   95 - QG2   THR   46   7.82 +/- 0.72   1.636% *  2.0480% (0.84   0.02   0.02) =   0.035%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2617 (2.82, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.305, support = 0.902, residual support = 0.789:
          QB    CYS   50 - QG2   THR   46   3.62 +/- 0.45  60.914% * 75.1338% (0.31   0.99   0.88) =  89.009%  kept
          QE    LYS+  74 - QG2   THR   46   4.18 +/- 0.84  38.813% * 14.5300% (0.28   0.21   0.02) =  10.968%  kept
          HB2   PHE   72 - QG2   THR   46   9.60 +/- 0.99   0.218% *  4.9209% (1.00   0.02   0.02) =   0.021%
          HA    ALA   64 - QG2   THR   46  11.89 +/- 0.78   0.052% *  2.0276% (0.41   0.02   0.02) =   0.002%
          HB3   ASN   69 - QG2   THR   46  19.01 +/- 0.72   0.003% *  3.3877% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2619 (9.46, 3.99, 61.71 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 2.61, residual support = 9.67:
      O   HN    SER   48 - HA    SER   48   2.72 +/- 0.03  99.997% * 99.4917% (0.49   2.61   9.67) = 100.000%  kept
          HN    SER   48 - HB2   SER   82  15.62 +/- 0.65   0.003% *  0.3348% (0.21   0.02   0.02) =   0.000%
          HN    SER   48 - HA    VAL   70  24.90 +/- 0.22   0.000% *  0.1735% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2620 (9.45, 3.94, 63.31 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.61, residual support = 9.67:
      O   HN    SER   48 - QB    SER   48   2.35 +/- 0.13  99.992% * 99.6158% (0.95   2.61   9.67) = 100.000%  kept
          HN    SER   48 - QB    SER   85  11.77 +/- 0.62   0.007% *  0.1859% (0.23   0.02   0.02) =   0.000%
          HN    SER   48 - QB    SER  117  21.42 +/- 0.51   0.000% *  0.1983% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 0.904, support = 4.03, residual support = 80.3:
      O   HN    TRP   49 - HB2   TRP   49   3.63 +/- 0.04  67.870% * 88.9418% (0.95   4.09  84.72) =  94.687%  kept
          HN    CYS   50 - HB2   TRP   49   4.12 +/- 0.03  32.129% * 10.5432% (0.15   2.97   1.83) =   5.313%  kept
          HE22  GLN   30 - HB2   TRP   49  24.77 +/- 0.82   0.001% *  0.4241% (0.92   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB2   TRP   49  30.67 +/- 0.42   0.000% *  0.0909% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 4.51, residual support = 84.7:
      O   HD1   TRP   49 - HB2   TRP   49   3.93 +/- 0.00  99.979% * 98.6491% (0.80   4.51  84.72) = 100.000%  kept
          HD2   HIS   22 - HB2   TRP   49  17.49 +/- 1.33   0.014% *  0.5045% (0.92   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   TRP   49  20.42 +/- 0.43   0.005% *  0.0843% (0.15   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   TRP   49  25.28 +/- 0.25   0.001% *  0.2450% (0.45   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   TRP   49  33.19 +/- 1.03   0.000% *  0.5170% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2623 (6.63, 3.15, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 4.09, residual support = 84.7:
      O   HN    TRP   49 - HB3   TRP   49   2.98 +/- 0.24  89.562% * 99.3456% (0.79   4.09  84.72) =  99.991%  kept
          HN    CYS   50 - HB3   TRP   49   4.27 +/- 0.13  10.437% *  0.0792% (0.13   0.02   1.83) =   0.009%
          HE22  GLN   30 - HB3   TRP   49  24.61 +/- 0.86   0.000% *  0.4737% (0.77   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB3   TRP   49  31.26 +/- 0.43   0.000% *  0.1015% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 4.51, residual support = 84.7:
      O   HD1   TRP   49 - HB3   TRP   49   3.03 +/- 0.02  99.995% * 98.6491% (0.67   4.51  84.72) = 100.000%  kept
          HD2   HIS   22 - HB3   TRP   49  17.06 +/- 1.32   0.003% *  0.5045% (0.77   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   TRP   49  19.73 +/- 0.45   0.001% *  0.0843% (0.13   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   49  26.04 +/- 0.28   0.000% *  0.2450% (0.37   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   TRP   49  32.76 +/- 1.09   0.000% *  0.5170% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 0.719, support = 0.0198, residual support = 3.47:
          HB2   PRO   52 - HB3   TRP   49   9.52 +/- 0.07  98.669% * 45.9163% (0.72   0.02   3.50) =  99.194%  kept
          HB2   ASP-  62 - HB3   TRP   49  21.81 +/- 0.35   0.688% * 45.9163% (0.72   0.02   0.02) =   0.691%
          HG2   MET   96 - HB3   TRP   49  22.06 +/- 0.37   0.643% *  8.1674% (0.13   0.02   0.02) =   0.115%
    Distance limit 4.26 A violated in 20 structures by 5.26 A, eliminated.
    Peak unassigned.
 
    Peak 2626 (2.40, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.469, support = 0.0199, residual support = 0.0199:
          HB3   PHE   45 - HB3   TRP   49  12.37 +/- 0.12  50.494% * 16.1708% (0.47   0.02   0.02) =  51.767%  kept
          QG    GLU-  79 - HB3   TRP   49  13.34 +/- 0.75  33.055% * 13.9029% (0.41   0.02   0.02) =  29.135%  kept
          QE    LYS+ 112 - HB3   TRP   49  15.65 +/- 0.47  12.541% * 16.1708% (0.47   0.02   0.02) =  12.857%  kept
          HB    VAL  107 - HB3   TRP   49  19.46 +/- 0.36   3.335% * 27.0190% (0.79   0.02   0.02) =   5.713%  kept
          QG    GLN   32 - HB3   TRP   49  28.92 +/- 1.21   0.321% * 22.8711% (0.67   0.02   0.02) =   0.466%
          HG2   GLU-  29 - HB3   TRP   49  29.91 +/- 0.66   0.254% *  3.8655% (0.11   0.02   0.02) =   0.062%
    Distance limit 4.33 A violated in 20 structures by 6.71 A, eliminated.
    Peak unassigned.
 
    Peak 2627 (0.38, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.4, residual support = 11.9:
          QB    ALA   47 - QB    CYS   50   3.79 +/- 0.05  99.621% * 99.0292% (0.65   4.40  11.86) =  99.999%  kept
          QB    ALA   64 - QB    CYS   50  10.91 +/- 0.43   0.179% *  0.4500% (0.65   0.02   0.02) =   0.001%
          QG1   VAL   42 - QB    CYS   50  11.62 +/- 0.44   0.123% *  0.3660% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QB    CYS   50  12.53 +/- 0.48   0.078% *  0.1549% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2628 (3.83, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 1.5, residual support = 8.18:
        T HB2   CYS   53 - QB    CYS   50   2.68 +/- 0.49  98.143% * 96.1176% (1.00   1.50   8.18) =  99.982%  kept
          HD3   PRO   52 - QB    CYS   50   5.62 +/- 0.15   1.737% *  0.9327% (0.73   0.02   0.02) =   0.017%
          HD2   PRO   58 - QB    CYS   50   8.69 +/- 0.45   0.114% *  0.6252% (0.49   0.02   0.02) =   0.001%
          HA    VAL   83 - QB    CYS   50  16.56 +/- 0.58   0.003% *  0.5280% (0.41   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    CYS   50  20.05 +/- 0.48   0.001% *  1.0285% (0.80   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    CYS   50  17.03 +/- 0.48   0.002% *  0.2860% (0.22   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    CYS   50  25.55 +/- 0.66   0.000% *  0.4821% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2629 (6.61, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.783, support = 1.27, residual support = 6.16:
      O   HN    CYS   50 - QB    CYS   50   2.82 +/- 0.02  93.336% * 35.4161% (0.80   1.11   6.72) =  88.564%  kept
          HN    TRP   49 - QB    CYS   50   4.40 +/- 0.13   6.658% * 64.1135% (0.65   2.49   1.83) =  11.436%  kept
          HN    VAL   83 - QB    CYS   50  15.23 +/- 0.50   0.004% *  0.2718% (0.34   0.02   0.02) =   0.000%
          HE22  GLN   30 - QB    CYS   50  17.02 +/- 0.81   0.002% *  0.1987% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 9.36:
      O T HA2   GLY   51 - HA1   GLY   51   1.75 +/- 0.00  99.991% * 94.9840% (0.87   2.81   9.36) = 100.000%  kept
        T QB    SER   48 - HA1   GLY   51   8.51 +/- 0.27   0.008% *  0.7779% (1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA1   GLY   51  13.95 +/- 0.25   0.000% *  0.7524% (0.97   0.02   0.02) =   0.000%
        T QB    SER   85 - HA1   GLY   51  18.51 +/- 0.66   0.000% *  0.5044% (0.65   0.02   0.02) =   0.000%
        T QB    SER  117 - HA1   GLY   51  19.90 +/- 0.32   0.000% *  0.4729% (0.61   0.02   0.02) =   0.000%
          HA    PHE   60 - HA1   GLY   51  15.74 +/- 0.25   0.000% *  0.1055% (0.14   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA1   GLY   51  22.73 +/- 0.22   0.000% *  0.4414% (0.57   0.02   0.02) =   0.000%
          HA    ALA  120 - HA1   GLY   51  25.17 +/- 0.22   0.000% *  0.7375% (0.95   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA1   GLY   51  26.81 +/- 0.19   0.000% *  0.7197% (0.92   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA1   GLY   51  26.93 +/- 0.47   0.000% *  0.5044% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 0.98, support = 1.67, residual support = 7.03:
          HD3   PRO   93 - HB2   PRO   52   2.73 +/- 0.19  92.759% * 25.9840% (0.98   1.50   4.02) =  93.230%  kept
          HB3   CYS   53 - HB2   PRO   52   5.05 +/- 0.11   2.403% * 72.1925% (0.99   4.12  48.94) =   6.709%  kept
          QB    PHE   55 - HB2   PRO   52   4.58 +/- 0.22   4.706% *  0.3263% (0.92   0.02   0.02) =   0.059%
          HD2   ARG+  54 - HB2   PRO   52   9.31 +/- 0.48   0.072% *  0.3411% (0.97   0.02   0.02) =   0.001%
          HB2   PHE   59 - HB2   PRO   52  10.02 +/- 0.73   0.049% *  0.2428% (0.69   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG2   MET   96  15.08 +/- 0.36   0.004% *  0.1018% (0.29   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   96  16.32 +/- 0.47   0.002% *  0.1029% (0.29   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   96  15.98 +/- 0.80   0.003% *  0.0713% (0.20   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   96  17.61 +/- 0.38   0.001% *  0.0958% (0.27   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   MET   96  18.48 +/- 0.42   0.001% *  0.1002% (0.28   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   PRO   52  23.02 +/- 0.55   0.000% *  0.3411% (0.97   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   MET   96  23.74 +/- 0.65   0.000% *  0.1002% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2632 (3.31, 1.84, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.394, support = 1.76, residual support = 8.29:
        T HD3   PRO   93 - HB3   PRO   52   3.92 +/- 0.05  74.071% * 35.8566% (0.41   1.50   4.02) =  90.017%  kept
          HB3   CYS   53 - HB3   PRO   52   6.25 +/- 0.06   4.580% * 61.4976% (0.25   4.24  48.94) =   9.546%  kept
          QB    PHE   55 - HB3   PRO   52   4.88 +/- 0.22  20.662% *  0.6118% (0.53   0.02   0.02) =   0.428%
          HB2   PHE   59 - HB3   PRO   52  11.37 +/- 0.66   0.135% *  0.9312% (0.80   0.02   0.02) =   0.004%
        T HD2   ARG+  54 - HB3   PRO   52   9.30 +/- 0.63   0.478% *  0.2301% (0.20   0.02   0.02) =   0.004%
          HD3   PRO   93 - QB    LYS+  81  14.25 +/- 0.61   0.034% *  0.0548% (0.05   0.02   0.02) =   0.000%
          HB3   CYS   53 - QB    LYS+  81  14.84 +/- 0.58   0.026% *  0.0333% (0.03   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB3   PRO   52  24.64 +/- 0.53   0.001% *  0.5214% (0.45   0.02   0.02) =   0.000%
          QB    PHE   55 - QB    LYS+  81  18.46 +/- 0.53   0.007% *  0.0702% (0.06   0.02   0.02) =   0.000%
          HB2   PHE   59 - QB    LYS+  81  21.69 +/- 0.91   0.003% *  0.1068% (0.09   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - QB    LYS+  81  21.39 +/- 0.51   0.003% *  0.0264% (0.02   0.02   0.02) =   0.000%
          HD3   PRO   68 - QB    LYS+  81  27.00 +/- 0.30   0.001% *  0.0598% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2633 (1.45, 2.63, 32.81 ppm):
    26 chemical-shift based assignments, quality = 0.277, support = 0.0199, residual support = 0.0199:
          QB    ALA  110 - HB2   PRO   52   2.48 +/- 0.28  99.750% *  2.7932% (0.28   0.02   0.02) =  99.708%  kept
          HG    LEU   73 - HG2   MET   96   9.50 +/- 1.47   0.084% *  2.8481% (0.28   0.02   0.02) =   0.086%
          HB3   LEU  115 - HB2   PRO   52  10.18 +/- 0.35   0.025% *  8.3913% (0.84   0.02   0.02) =   0.074%
          HG    LEU   40 - HG2   MET   96   9.58 +/- 0.73   0.051% *  2.4650% (0.25   0.02   0.02) =   0.045%
          QB    ALA   61 - HB2   PRO   52  11.44 +/- 0.29   0.012% *  4.8900% (0.49   0.02   0.02) =   0.021%
          HG2   LYS+ 102 - HG2   MET   96  11.08 +/- 0.96   0.019% *  2.9446% (0.29   0.02   0.02) =   0.020%
          HG    LEU  115 - HB2   PRO   52  10.70 +/- 0.65   0.017% *  2.7932% (0.28   0.02   0.02) =   0.017%
          HB3   LEU  115 - HG2   MET   96  13.19 +/- 0.82   0.006% *  2.4650% (0.25   0.02   0.02) =   0.005%
          QG    LYS+  66 - HB2   PRO   52  17.31 +/- 0.59   0.001% *  8.3913% (0.84   0.02   0.02) =   0.003%
          HB3   LEU   67 - HG2   MET   96  13.95 +/- 0.48   0.004% *  1.9091% (0.19   0.02   0.02) =   0.003%
          HG    LEU   67 - HG2   MET   96  14.24 +/- 0.59   0.004% *  2.1430% (0.21   0.02   0.02) =   0.003%
          HG    LEU   80 - HG2   MET   96  12.91 +/- 1.02   0.008% *  0.9109% (0.09   0.02   0.02) =   0.003%
          HG    LEU   73 - HB2   PRO   52  19.59 +/- 0.38   0.001% *  9.6953% (0.97   0.02   0.02) =   0.002%
          QB    ALA  110 - HG2   MET   96  13.15 +/- 0.34   0.006% *  0.8205% (0.08   0.02   0.02) =   0.002%
          QB    ALA   61 - HG2   MET   96  15.28 +/- 0.24   0.002% *  1.4365% (0.14   0.02   0.02) =   0.001%
          QG    LYS+  66 - HG2   MET   96  16.72 +/- 0.56   0.001% *  2.4650% (0.25   0.02   0.02) =   0.001%
          QB    ALA  120 - HB2   PRO   52  16.92 +/- 0.32   0.001% *  2.7932% (0.28   0.02   0.02) =   0.001%
          HG    LEU   67 - HB2   PRO   52  20.47 +/- 1.07   0.000% *  7.2951% (0.73   0.02   0.02) =   0.001%
          HG    LEU   40 - HB2   PRO   52  21.60 +/- 0.94   0.000% *  8.3913% (0.84   0.02   0.02) =   0.001%
          HB3   LEU   67 - HB2   PRO   52  20.65 +/- 0.83   0.000% *  6.4990% (0.65   0.02   0.02) =   0.001%
          HG    LEU  115 - HG2   MET   96  15.19 +/- 1.08   0.003% *  0.8205% (0.08   0.02   0.02) =   0.001%
          HG    LEU   80 - HB2   PRO   52  19.04 +/- 1.11   0.001% *  3.1007% (0.31   0.02   0.02) =   0.001%
          QB    ALA  120 - HG2   MET   96  15.99 +/- 0.49   0.002% *  0.8205% (0.08   0.02   0.02) =   0.001%
          HG12  ILE   19 - HG2   MET   96  15.70 +/- 0.77   0.002% *  0.6570% (0.07   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HB2   PRO   52  27.17 +/- 1.52   0.000% * 10.0239% (1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   PRO   52  22.62 +/- 0.32   0.000% *  2.2366% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2634 (1.34, 3.98, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.634, support = 0.0189, residual support = 3.38:
          HB3   PRO   93 - HD2   PRO   52   7.06 +/- 0.16  86.038% *  7.1341% (0.65   0.02   4.02) =  83.972%  kept
          HB3   ASP-  44 - HD2   PRO   52  11.94 +/- 0.54   3.852% * 10.8097% (0.98   0.02   0.02) =   5.697%  kept
          QB    ALA   84 - HD2   PRO   52  11.44 +/- 0.34   4.903% *  7.5752% (0.69   0.02   0.02) =   5.081%  kept
          HG2   LYS+ 111 - HD2   PRO   52  13.18 +/- 0.51   2.083% *  9.2114% (0.84   0.02   0.02) =   2.624%
          HB2   LEU   63 - HD2   PRO   52  15.68 +/- 0.30   0.722% * 11.0280% (1.00   0.02   0.02) =   1.089%
          HB3   LEU   80 - HD2   PRO   52  16.39 +/- 0.88   0.581% * 10.8097% (0.98   0.02   0.02) =   0.859%
        T QB    ALA   88 - HD2   PRO   52  14.02 +/- 0.28   1.420% *  1.9314% (0.18   0.02   0.02) =   0.375%
          HG    LEU   98 - HD2   PRO   52  22.14 +/- 1.37   0.096% *  8.8306% (0.80   0.02   0.02) =   0.116%
          QB    ALA  124 - HD2   PRO   52  24.81 +/- 0.37   0.046% *  9.8903% (0.90   0.02   0.02) =   0.062%
          HB2   LEU   31 - HD2   PRO   52  25.28 +/- 0.50   0.041% *  9.8903% (0.90   0.02   0.02) =   0.056%
        T HG3   LYS+ 106 - HD2   PRO   52  19.75 +/- 0.81   0.187% *  1.7016% (0.15   0.02   0.02) =   0.043%
          HG2   LYS+  99 - HD2   PRO   52  28.03 +/- 0.34   0.022% *  6.2436% (0.57   0.02   0.02) =   0.019%
          HG2   LYS+  38 - HD2   PRO   52  32.59 +/- 0.28   0.009% *  4.9442% (0.45   0.02   0.02) =   0.006%
    Distance limit 4.01 A violated in 20 structures by 2.93 A, eliminated.
    Peak unassigned.
 
    Peak 2635 (3.99, 3.84, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.801, support = 7.84, residual support = 204.2:
      O T HD2   PRO   52 - HD3   PRO   52   1.75 +/- 0.00  99.991% * 98.0337% (0.80   7.84 204.25) = 100.000%  kept
        T HA    SER   48 - HD3   PRO   52   8.42 +/- 0.24   0.008% *  0.3094% (0.99   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   PRO   52  16.89 +/- 0.26   0.000% *  0.3013% (0.97   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   PRO   52  20.21 +/- 0.38   0.000% *  0.2019% (0.65   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   PRO   52  16.76 +/- 0.68   0.000% *  0.0547% (0.18   0.02   0.02) =   0.000%
        T HB2   SER   82 - HD3   PRO   52  21.98 +/- 0.52   0.000% *  0.2267% (0.73   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   PRO   52  17.95 +/- 0.40   0.000% *  0.0618% (0.20   0.02   0.02) =   0.000%
          HA    LYS+  65 - HD3   PRO   52  22.39 +/- 0.27   0.000% *  0.0695% (0.22   0.02   0.02) =   0.000%
          HA    GLN   32 - HD3   PRO   52  30.67 +/- 0.44   0.000% *  0.2953% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  29 - HD3   PRO   52  29.29 +/- 0.35   0.000% *  0.1893% (0.61   0.02   0.02) =   0.000%
        T HA    VAL   70 - HD3   PRO   52  25.95 +/- 0.24   0.000% *  0.0618% (0.20   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   PRO   52  26.61 +/- 0.48   0.000% *  0.0547% (0.18   0.02   0.02) =   0.000%
          HA    LYS+  33 - HD3   PRO   52  31.61 +/- 0.33   0.000% *  0.1400% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2636 (3.85, 3.98, 51.93 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 7.84, residual support = 204.2:
      O T HD3   PRO   52 - HD2   PRO   52   1.75 +/- 0.00  99.691% * 98.7221% (0.87   7.84 204.25) = 100.000%  kept
          HB2   CYS   53 - HD2   PRO   52   4.61 +/- 0.16   0.308% *  0.1089% (0.38   0.02  48.94) =   0.000%
          HA    ILE   89 - HD2   PRO   52  12.13 +/- 0.30   0.001% *  0.1301% (0.45   0.02   0.02) =   0.000%
        T HB3   SER   82 - HD2   PRO   52  20.60 +/- 0.43   0.000% *  0.2679% (0.92   0.02   0.02) =   0.000%
          HB    THR  118 - HD2   PRO   52  17.16 +/- 0.23   0.000% *  0.0448% (0.15   0.02   0.02) =   0.000%
          HA    GLN   30 - HD2   PRO   52  25.39 +/- 0.32   0.000% *  0.2324% (0.80   0.02   0.02) =   0.000%
          QB    SER   13 - HD2   PRO   52  27.43 +/- 2.12   0.000% *  0.1877% (0.65   0.02   0.02) =   0.000%
          HB    THR   39 - HD2   PRO   52  26.93 +/- 0.35   0.000% *  0.1760% (0.61   0.02   0.02) =   0.000%
          HB3   SER   37 - HD2   PRO   52  29.47 +/- 0.62   0.000% *  0.1301% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 16.6:
      O   HA1   GLY   51 - HD3   PRO   52   2.51 +/- 0.05  99.952% * 95.5623% (0.76   3.95  16.57) = 100.000%  kept
          HB    THR   77 - HD3   PRO   52  10.28 +/- 0.53   0.022% *  0.5680% (0.90   0.02   0.02) =   0.000%
          HA    ALA   57 - HD3   PRO   52  10.42 +/- 0.11   0.020% *  0.2840% (0.45   0.02   0.02) =   0.000%
          HA    ASP-  44 - HD3   PRO   52  13.36 +/- 0.18   0.004% *  0.5290% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD3   PRO   52  16.25 +/- 0.45   0.001% *  0.5847% (0.92   0.02   0.02) =   0.000%
          HA    SER   85 - HD3   PRO   52  17.13 +/- 0.57   0.001% *  0.5680% (0.90   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD3   PRO   52  24.21 +/- 0.27   0.000% *  0.6112% (0.97   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD3   PRO   52  21.13 +/- 0.37   0.000% *  0.1109% (0.18   0.02   0.02) =   0.000%
        T HA    THR   39 - HD3   PRO   52  29.72 +/- 0.23   0.000% *  0.5494% (0.87   0.02   0.02) =   0.000%
          HA    MET   11 - HD3   PRO   52  37.30 +/- 4.41   0.000% *  0.5072% (0.80   0.02   0.02) =   0.000%
          HA    ALA   12 - HD3   PRO   52  34.63 +/- 2.59   0.000% *  0.1253% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2638 (4.29, 3.98, 51.93 ppm):
    12 chemical-shift based assignments, quality = 0.341, support = 5.5, residual support = 16.6:
      O   HA1   GLY   51 - HD2   PRO   52   3.33 +/- 0.05  99.735% * 92.6133% (0.34   5.50  16.57) =  99.997%  kept
          HB    THR   77 - HD2   PRO   52   9.50 +/- 0.51   0.192% *  0.9524% (0.97   0.02   0.02) =   0.002%
          HA    ASP-  44 - HD2   PRO   52  11.84 +/- 0.18   0.050% *  0.9781% (0.99   0.02   0.02) =   0.001%
        T HA    SER   85 - HD2   PRO   52  16.52 +/- 0.57   0.007% *  0.9524% (0.97   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD2   PRO   52  15.24 +/- 0.44   0.011% *  0.5192% (0.53   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD2   PRO   52  20.37 +/- 0.37   0.002% *  0.5192% (0.53   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD2   PRO   52  23.00 +/- 0.24   0.001% *  0.8850% (0.90   0.02   0.02) =   0.000%
          HA    GLU-  14 - HD2   PRO   52  27.82 +/- 0.96   0.000% *  0.4424% (0.45   0.02   0.02) =   0.000%
          HA    MET   11 - HD2   PRO   52  35.61 +/- 4.38   0.000% *  0.9846% (1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HD2   PRO   52  28.12 +/- 0.23   0.000% *  0.4424% (0.45   0.02   0.02) =   0.000%
          HA    LEU  104 - HD2   PRO   52  25.00 +/- 0.24   0.001% *  0.1523% (0.15   0.02   0.02) =   0.000%
          HA    ALA   12 - HD2   PRO   52  32.93 +/- 2.56   0.000% *  0.5587% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2639 (2.33, 3.84, 51.93 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 6.6, residual support = 204.2:
      O   HG2   PRO   52 - HD3   PRO   52   2.30 +/- 0.00  99.394% * 98.9770% (0.90   6.60 204.25) =  99.999%  kept
          HG2   MET   92 - HD3   PRO   52   5.58 +/- 0.63   0.602% *  0.1256% (0.38   0.02   0.02) =   0.001%
          QG    GLU- 114 - HD3   PRO   52  14.38 +/- 0.51   0.002% *  0.1500% (0.45   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD3   PRO   52  15.42 +/- 0.45   0.001% *  0.1760% (0.53   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD3   PRO   52  14.40 +/- 0.12   0.002% *  0.1141% (0.34   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD3   PRO   52  28.83 +/- 0.45   0.000% *  0.3316% (0.99   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD3   PRO   52  35.25 +/- 0.55   0.000% *  0.1256% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 204.2:
      O   HG3   PRO   52 - HD3   PRO   52   2.91 +/- 0.00  99.524% * 98.7385% (0.97   6.60 204.25) = 100.000%  kept
        T HB2   PRO   93 - HD3   PRO   52   7.15 +/- 0.21   0.462% *  0.0614% (0.20   0.02   4.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   52  12.85 +/- 0.12   0.013% *  0.2994% (0.97   0.02   0.02) =   0.000%
          HB    VAL   24 - HD3   PRO   52  22.91 +/- 1.00   0.000% *  0.0773% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD3   PRO   52  30.30 +/- 1.22   0.000% *  0.2863% (0.92   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD3   PRO   52  27.92 +/- 0.26   0.000% *  0.1632% (0.53   0.02   0.02) =   0.000%
          QB    GLN   32 - HD3   PRO   52  27.56 +/- 0.37   0.000% *  0.0957% (0.31   0.02   0.02) =   0.000%
          HG2   MET   11 - HD3   PRO   52  37.41 +/- 4.08   0.000% *  0.2782% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2641 (1.85, 3.84, 51.93 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 6.6, residual support = 204.2:
      O   HB3   PRO   52 - HD3   PRO   52   3.53 +/- 0.00  97.460% * 95.7818% (0.57   6.60 204.25) =  99.990%  kept
          HG2   ARG+  54 - HD3   PRO   52   7.00 +/- 0.40   1.723% *  0.4852% (0.95   0.02   0.02) =   0.009%
          HB    ILE   56 - HD3   PRO   52   8.01 +/- 0.30   0.738% *  0.1279% (0.25   0.02   0.02) =   0.001%
          HB3   GLN   90 - HD3   PRO   52  12.66 +/- 0.52   0.048% *  0.3920% (0.76   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   PRO   52  15.36 +/- 0.54   0.015% *  0.3523% (0.69   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   PRO   52  16.64 +/- 0.36   0.009% *  0.3318% (0.65   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   PRO   52  21.16 +/- 0.71   0.002% *  0.4735% (0.92   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   PRO   52  24.57 +/- 0.35   0.001% *  0.4950% (0.97   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   52  24.61 +/- 0.46   0.001% *  0.2904% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   PRO   52  26.55 +/- 0.36   0.001% *  0.4284% (0.84   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD3   PRO   52  28.26 +/- 0.25   0.000% *  0.5028% (0.98   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   52  23.48 +/- 0.34   0.001% *  0.1583% (0.31   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   52  23.80 +/- 0.35   0.001% *  0.1015% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   PRO   52  33.84 +/- 0.15   0.000% *  0.0791% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2642 (8.10, 3.84, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 6.08, residual support = 48.9:
          HN    CYS   53 - HD3   PRO   52   3.66 +/- 0.00  99.991% * 99.3002% (0.61   6.08  48.94) = 100.000%  kept
          HN    LEU   80 - HD3   PRO   52  17.71 +/- 0.59   0.008% *  0.2020% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD3   PRO   52  24.69 +/- 0.41   0.001% *  0.3482% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD3   PRO   52  28.30 +/- 0.32   0.000% *  0.1496% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.58 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 = 3.95, residual support = 16.6:
          HN    GLY   51 - HD3   PRO   52   2.32 +/- 0.06  99.999% * 99.5263% (0.92   3.95  16.57) = 100.000%  kept
          HN    VAL  107 - HD3   PRO   52  16.04 +/- 0.27   0.001% *  0.4737% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.44 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 = 0.621, support = 0.02, residual support = 0.02:
          HN    ARG+  54 - HD2   PRO   52   4.34 +/- 0.12  88.876% * 16.5352% (0.61   0.02   0.02) =  86.970%  kept
          HN    PHE   55 - HD2   PRO   52   6.16 +/- 0.07  11.042% * 19.7962% (0.73   0.02   0.02) =  12.936%  kept
          HN    ASP-  62 - HD2   PRO   52  15.00 +/- 0.21   0.053% * 25.1660% (0.92   0.02   0.02) =   0.080%
          HN    ALA   88 - HD2   PRO   52  17.05 +/- 0.25   0.025% *  6.7978% (0.25   0.02   0.02) =   0.010%
          HN    LEU   31 - HD2   PRO   52  24.30 +/- 0.38   0.003% * 26.3097% (0.97   0.02   0.02) =   0.005%
          HN    LYS+  38 - HD2   PRO   52  30.80 +/- 0.17   0.001% *  5.3951% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 19 structures by 0.24 A, eliminated.
    Peak unassigned.
 
    Peak 2645 (8.10, 3.98, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 7.19, residual support = 48.9:
          HN    CYS   53 - HD2   PRO   52   2.26 +/- 0.00  99.999% * 99.4076% (0.61   7.19  48.94) = 100.000%  kept
          HN    LEU   80 - HD2   PRO   52  16.53 +/- 0.61   0.001% *  0.1710% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD2   PRO   52  23.21 +/- 0.41   0.000% *  0.2947% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD2   PRO   52  26.67 +/- 0.34   0.000% *  0.1267% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2647 (2.79, 3.34, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 8.18:
          QB    CYS   50 - HB3   CYS   53   2.91 +/- 0.62  99.632% * 96.8478% (0.92   1.50   8.18) =  99.996%  kept
          QE    LYS+  74 - HB3   CYS   53   8.91 +/- 0.63   0.260% *  1.3233% (0.95   0.02   0.02) =   0.004%
          HB3   ASP-  78 - HB3   CYS   53  10.65 +/- 0.62   0.091% *  0.7920% (0.57   0.02   0.02) =   0.001%
          HB2   PHE   72 - HB3   CYS   53  13.95 +/- 0.82   0.017% *  0.2450% (0.18   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB3   CYS   53  24.47 +/- 0.27   0.001% *  0.7920% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2648 (2.80, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 8.18:
        T QB    CYS   50 - HB2   CYS   53   2.68 +/- 0.49  99.788% * 96.3763% (0.92   1.50   8.18) =  99.998%  kept
          QE    LYS+  74 - HB2   CYS   53   8.64 +/- 0.67   0.170% *  1.2484% (0.90   0.02   0.02) =   0.002%
          HB3   ASP-  78 - HB2   CYS   53  11.43 +/- 0.61   0.033% *  0.2438% (0.18   0.02   0.02) =   0.000%
          HB2   PHE   72 - HB2   CYS   53  13.87 +/- 0.74   0.009% *  0.7881% (0.57   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   CYS   53  24.32 +/- 0.36   0.000% *  1.3434% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2650 (1.26, 4.17, 63.73 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 0.02, residual support = 0.02:
        T QG2   ILE   56 - HA    CYS   53   2.06 +/- 0.17  99.964% * 14.3765% (0.95   0.02   0.02) =  99.971%  kept
          QB    ALA   91 - HA    CYS   53   9.84 +/- 0.88   0.026% * 13.6298% (0.90   0.02   0.02) =   0.025%
          HG2   LYS+  74 - HA    CYS   53   9.98 +/- 0.45   0.009% *  5.1841% (0.34   0.02   0.02) =   0.003%
          QB    ALA   34 - HA    CYS   53  18.66 +/- 0.27   0.000% * 12.1694% (0.80   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    CYS   53  19.20 +/- 0.38   0.000% * 13.6298% (0.90   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    CYS   53  18.11 +/- 0.42   0.000% *  6.8136% (0.45   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HA    CYS   53  18.97 +/- 0.36   0.000% *  8.6043% (0.57   0.02   0.02) =   0.000%
        T HG    LEU   71 - HA    CYS   53  19.66 +/- 0.53   0.000% *  4.6908% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    CYS   53  24.56 +/- 0.82   0.000% *  5.7039% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    CYS   53  30.08 +/- 0.35   0.000% * 15.1978% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2651 (8.10, 4.17, 63.73 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.92, residual support = 42.0:
      O   HN    CYS   53 - HA    CYS   53   2.74 +/- 0.03  99.998% * 99.1354% (0.61   4.92  41.97) = 100.000%  kept
          HN    LEU   80 - HA    CYS   53  17.45 +/- 0.66   0.002% *  0.2495% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HA    CYS   53  22.55 +/- 0.45   0.000% *  0.4301% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    CYS   53  23.99 +/- 0.35   0.000% *  0.1849% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 5.05, residual support = 42.0:
      O   HN    CYS   53 - HB2   CYS   53   2.87 +/- 0.11  99.996% * 99.1581% (0.61   5.05  41.97) = 100.000%  kept
          HN    LEU   80 - HB2   CYS   53  16.27 +/- 0.74   0.003% *  0.2430% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HB2   CYS   53  21.53 +/- 0.55   0.001% *  0.4189% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   CYS   53  24.13 +/- 0.45   0.000% *  0.1800% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2653 (7.86, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.22, residual support = 30.5:
          HN    ARG+  54 - HB2   CYS   53   3.16 +/- 0.06  94.953% * 98.9321% (0.97   5.22  30.50) =  99.993%  kept
          HN    PHE   55 - HB2   CYS   53   5.17 +/- 0.08   4.995% *  0.1213% (0.31   0.02   0.02) =   0.006%
          HN    ASP-  62 - HB2   CYS   53  11.14 +/- 0.24   0.051% *  0.3717% (0.95   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   CYS   53  22.27 +/- 0.47   0.001% *  0.3524% (0.90   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   CYS   53  28.25 +/- 0.35   0.000% *  0.2225% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2654 (7.87, 3.34, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.07, residual support = 30.5:
          HN    ARG+  54 - HB3   CYS   53   3.89 +/- 0.09  99.867% * 99.1258% (0.87   5.07  30.50) = 100.000%  kept
          HN    ASP-  62 - HB3   CYS   53  11.83 +/- 0.20   0.129% *  0.2371% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   CYS   53  21.63 +/- 0.50   0.003% *  0.2021% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   CYS   53  27.78 +/- 0.39   0.001% *  0.4350% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2655 (1.61, 3.34, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.69, residual support = 161.1:
      O T HG3   ARG+  54 - HD2   ARG+  54   2.74 +/- 0.27  94.409% * 99.3568% (0.87   4.69 161.14) =  99.994%  kept
          QB    ALA   57 - HD2   ARG+  54   5.06 +/- 0.84   5.590% *  0.0966% (0.20   0.02   0.02) =   0.006%
          HD3   LYS+ 111 - HD2   ARG+  54  19.19 +/- 0.71   0.001% *  0.1087% (0.22   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   ARG+  54  24.83 +/- 0.81   0.000% *  0.2189% (0.45   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   ARG+  54  27.65 +/- 1.43   0.000% *  0.2189% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2656 (3.35, 3.25, 43.59 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.57, residual support = 161.1:
      O T HD2   ARG+  54 - HD3   ARG+  54   1.75 +/- 0.00  99.909% * 98.2811% (0.87   3.57 161.14) = 100.000%  kept
          QB    PHE   55 - HD3   ARG+  54   6.61 +/- 0.94   0.075% *  0.3088% (0.49   0.02   1.96) =   0.000%
          HB3   CYS   53 - HD3   ARG+  54   7.93 +/- 0.58   0.013% *  0.5080% (0.80   0.02  30.50) =   0.000%
          HD3   PRO   93 - HD3   ARG+  54  11.17 +/- 0.52   0.002% *  0.3848% (0.61   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD3   ARG+  54  12.00 +/- 0.90   0.001% *  0.1582% (0.25   0.02   0.02) =   0.000%
          HD3   PRO   68 - HD3   ARG+  54  22.61 +/- 1.04   0.000% *  0.3592% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2657 (3.24, 3.34, 43.59 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.57, residual support = 161.1:
      O T HD3   ARG+  54 - HD2   ARG+  54   1.75 +/- 0.00 100.000% * 99.5156% (1.00   3.57 161.14) = 100.000%  kept
          HB3   HIS   22 - HD2   ARG+  54  22.47 +/- 1.14   0.000% *  0.4844% (0.87   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2658 (1.61, 3.25, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.74, residual support = 161.1:
      O T HG3   ARG+  54 - HD3   ARG+  54   2.84 +/- 0.22  91.131% * 99.1953% (0.87   3.74 161.14) =  99.988%  kept
          QB    ALA   57 - HD3   ARG+  54   4.80 +/- 0.95   8.868% *  0.1209% (0.20   0.02   0.02) =   0.012%
          HD3   LYS+ 111 - HD3   ARG+  54  19.42 +/- 1.02   0.001% *  0.1360% (0.22   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   ARG+  54  24.82 +/- 1.00   0.000% *  0.2739% (0.45   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   ARG+  54  27.06 +/- 1.66   0.000% *  0.2739% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 4.04, residual support = 161.1:
      O T HG2   ARG+  54 - HD3   ARG+  54   2.47 +/- 0.21  99.928% * 92.3960% (0.49   4.04 161.14) =  99.999%  kept
          HB    ILE   56 - HD3   ARG+  54   9.41 +/- 0.58   0.039% *  0.9315% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD3   ARG+  54  10.22 +/- 1.05   0.029% *  0.3864% (0.41   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   ARG+  54  15.06 +/- 0.94   0.002% *  0.5700% (0.61   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   ARG+  54  20.36 +/- 0.61   0.000% *  0.7850% (0.84   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   ARG+  54  20.31 +/- 0.76   0.000% *  0.6825% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   ARG+  54  21.04 +/- 0.65   0.000% *  0.7526% (0.80   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   ARG+  54  23.17 +/- 1.06   0.000% *  0.4945% (0.53   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   ARG+  54  25.86 +/- 1.24   0.000% *  0.7183% (0.76   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   ARG+  54  24.96 +/- 1.12   0.000% *  0.3864% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   ARG+  54  27.15 +/- 1.07   0.000% *  0.6080% (0.65   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   ARG+  54  28.59 +/- 0.82   0.000% *  0.4214% (0.45   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   ARG+  54  34.38 +/- 1.01   0.000% *  0.8676% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 4.03, residual support = 161.1:
      O   HB2   ARG+  54 - HD3   ARG+  54   3.20 +/- 0.56  99.883% * 95.5591% (0.73   4.03 161.14) = 100.000%  kept
          HB2   PRO   93 - HD3   ARG+  54  10.90 +/- 0.59   0.098% *  0.2686% (0.41   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   ARG+  54  18.65 +/- 0.89   0.004% *  0.6306% (0.97   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   ARG+  54  20.07 +/- 0.74   0.003% *  0.5232% (0.80   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HD3   ARG+  54  17.71 +/- 0.96   0.006% *  0.2229% (0.34   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   ARG+  54  18.67 +/- 1.62   0.004% *  0.1817% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   ARG+  54  22.92 +/- 1.18   0.001% *  0.4227% (0.65   0.02   0.02) =   0.000%
          HG3   GLN   30 - HD3   ARG+  54  25.12 +/- 1.43   0.001% *  0.6306% (0.97   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   ARG+  54  25.83 +/- 1.23   0.001% *  0.6306% (0.97   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   ARG+  54  23.22 +/- 1.37   0.001% *  0.1817% (0.28   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   ARG+  54  34.83 +/- 0.86   0.000% *  0.6476% (0.99   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   ARG+  54  29.68 +/- 1.23   0.000% *  0.1008% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2661 (1.86, 1.60, 27.63 ppm):
    14 chemical-shift based assignments, quality = 0.923, support = 5.13, residual support = 161.1:
      O T HG2   ARG+  54 - HG3   ARG+  54   1.75 +/- 0.00  99.966% * 96.4509% (0.92   5.13 161.14) = 100.000%  kept
          HB    ILE   56 - HG3   ARG+  54   8.67 +/- 0.83   0.010% *  0.2636% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   ARG+  54   7.69 +/- 0.88   0.023% *  0.0806% (0.20   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   ARG+  54  13.33 +/- 1.10   0.001% *  0.0806% (0.20   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   ARG+  54  18.69 +/- 0.76   0.000% *  0.4075% (1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   ARG+  54  19.69 +/- 0.80   0.000% *  0.3995% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   ARG+  54  19.79 +/- 0.69   0.000% *  0.4039% (0.99   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   ARG+  54  22.92 +/- 0.95   0.000% *  0.3855% (0.95   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HG3   ARG+  54  26.06 +/- 0.56   0.000% *  0.3535% (0.87   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   ARG+  54  27.29 +/- 0.58   0.000% *  0.4039% (0.99   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   ARG+  54  27.94 +/- 0.76   0.000% *  0.3655% (0.90   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   ARG+  54  23.11 +/- 0.86   0.000% *  0.0806% (0.20   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   ARG+  54  25.80 +/- 0.51   0.000% *  0.1258% (0.31   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   ARG+  54  34.63 +/- 0.53   0.000% *  0.1984% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 161.1:
      O   HB2   ARG+  54 - HG3   ARG+  54   2.64 +/- 0.13  99.993% * 91.7169% (0.31   5.12 161.14) = 100.000%  kept
          HB2   LYS+ 111 - HG3   ARG+  54  16.76 +/- 1.10   0.002% *  0.8879% (0.76   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   ARG+  54  18.92 +/- 0.92   0.001% *  0.7047% (0.61   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   ARG+  54  19.69 +/- 0.73   0.001% *  0.7981% (0.69   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   ARG+  54  16.55 +/- 0.96   0.002% *  0.2299% (0.20   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   ARG+  54  18.89 +/- 0.95   0.001% *  0.4361% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   ARG+  54  24.07 +/- 0.57   0.000% *  1.1388% (0.98   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   ARG+  54  24.04 +/- 0.87   0.000% *  0.7981% (0.69   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   ARG+  54  25.16 +/- 0.86   0.000% *  1.0420% (0.90   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   ARG+  54  25.80 +/- 0.51   0.000% *  0.7047% (0.61   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   ARG+  54  21.75 +/- 0.44   0.000% *  0.1793% (0.15   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   ARG+  54  29.29 +/- 0.73   0.000% *  0.5655% (0.49   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   ARG+  54  34.72 +/- 0.53   0.000% *  0.7981% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2663 (4.11, 1.60, 27.63 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 161.1:
      O   HA    ARG+  54 - HG3   ARG+  54   3.47 +/- 0.42  99.983% * 98.2231% (1.00   4.76 161.14) = 100.000%  kept
          HA    LEU  115 - HG3   ARG+  54  17.24 +/- 0.94   0.009% *  0.2502% (0.61   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   ARG+  54  20.74 +/- 0.65   0.003% *  0.2668% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   ARG+  54  20.03 +/- 1.08   0.004% *  0.0722% (0.18   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   ARG+  54  28.80 +/- 0.81   0.000% *  0.4043% (0.98   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   ARG+  54  28.59 +/- 0.66   0.000% *  0.2668% (0.65   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   ARG+  54  29.88 +/- 0.51   0.000% *  0.1849% (0.45   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   ARG+  54  31.31 +/- 1.38   0.000% *  0.1147% (0.28   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   ARG+  54  36.15 +/- 0.51   0.000% *  0.2170% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2665 (3.26, 1.60, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 3.74, residual support = 161.1:
      O T HD3   ARG+  54 - HG3   ARG+  54   2.84 +/- 0.22  99.999% * 99.7134% (0.76   3.74 161.14) = 100.000%  kept
          HB3   HIS   22 - HG3   ARG+  54  21.47 +/- 0.92   0.001% *  0.2866% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2666 (3.35, 1.60, 27.63 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 4.69, residual support = 161.1:
      O T HD2   ARG+  54 - HG3   ARG+  54   2.74 +/- 0.27  93.746% * 98.6859% (0.87   4.69 161.14) =  99.983%  kept
          QB    PHE   55 - HG3   ARG+  54   5.86 +/- 0.99   5.724% *  0.2361% (0.49   0.02   1.96) =   0.015%
          HB3   CYS   53 - HG3   ARG+  54   6.80 +/- 0.31   0.453% *  0.3883% (0.80   0.02  30.50) =   0.002%
          HD3   PRO   93 - HG3   ARG+  54   9.59 +/- 0.76   0.063% *  0.2942% (0.61   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   ARG+  54  12.25 +/- 0.82   0.015% *  0.1209% (0.25   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   ARG+  54  23.63 +/- 0.64   0.000% *  0.2746% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2667 (7.87, 1.60, 27.63 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.48, residual support = 161.1:
          HN    ARG+  54 - HG3   ARG+  54   3.48 +/- 0.34  99.969% * 99.3142% (0.87   6.48 161.14) = 100.000%  kept
          HN    ASP-  62 - HG3   ARG+  54  13.81 +/- 0.51   0.030% *  0.1860% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   ARG+  54  27.79 +/- 0.54   0.000% *  0.1585% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   ARG+  54  33.49 +/- 0.48   0.000% *  0.3412% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2668 (1.61, 1.86, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 5.13, residual support = 161.1:
      O T HG3   ARG+  54 - HG2   ARG+  54   1.75 +/- 0.00  99.532% * 99.1528% (0.87   5.13 161.14) = 100.000%  kept
          QB    ALA   57 - HG2   ARG+  54   4.36 +/- 0.32   0.467% *  0.0882% (0.20   0.02   0.02) =   0.000%
        T HB3   LEU  123 - HG3   PRO   68  14.36 +/- 0.80   0.000% *  0.0533% (0.12   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   PRO   68  14.67 +/- 1.41   0.000% *  0.0533% (0.12   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   ARG+  54  18.15 +/- 0.85   0.000% *  0.0993% (0.22   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   PRO   68  16.37 +/- 0.21   0.000% *  0.0235% (0.05   0.02   0.02) =   0.000%
        T HB3   LEU  123 - HG2   ARG+  54  24.73 +/- 0.81   0.000% *  0.1999% (0.45   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   ARG+  54  26.14 +/- 1.21   0.000% *  0.1999% (0.45   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG3   PRO   68  26.06 +/- 0.56   0.000% *  0.1032% (0.23   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   PRO   68  27.74 +/- 0.54   0.000% *  0.0265% (0.06   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 0.135, support = 2.71, residual support = 33.9:
      O   HG2   PRO   68 - HG3   PRO   68   1.75 +/- 0.00  95.822% * 18.0783% (0.12   2.35  33.91) =  85.569%  kept
      O   HB3   PRO   68 - HG3   PRO   68   2.96 +/- 0.00   4.159% * 70.2493% (0.22   4.90  33.91) =  14.430%  kept
          QB    GLU-  15 - HG3   PRO   68   7.73 +/- 0.88   0.017% *  0.3428% (0.27   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   PRO   68  11.56 +/- 0.43   0.001% *  0.3428% (0.27   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   ARG+  54  16.47 +/- 0.88   0.000% *  1.2847% (1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   ARG+  54  16.11 +/- 0.73   0.000% *  0.7810% (0.61   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   ARG+  54  18.33 +/- 1.01   0.000% *  1.2847% (1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   PRO   68  14.33 +/- 0.39   0.000% *  0.1808% (0.14   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   ARG+  54  20.39 +/- 0.76   0.000% *  0.6774% (0.53   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   ARG+  54  22.82 +/- 0.95   0.000% *  1.2847% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   ARG+  54  22.80 +/- 0.47   0.000% *  1.0755% (0.84   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   ARG+  54  18.23 +/- 0.89   0.000% *  0.2548% (0.20   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   PRO   68  18.13 +/- 0.62   0.000% *  0.1540% (0.12   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   ARG+  54  23.46 +/- 0.45   0.000% *  0.5773% (0.45   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   ARG+  54  23.85 +/- 1.08   0.000% *  0.5773% (0.45   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   68  16.72 +/- 0.49   0.000% *  0.0680% (0.05   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   PRO   68  20.52 +/- 0.34   0.000% *  0.2084% (0.16   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   ARG+  54  28.15 +/- 1.07   0.000% *  1.1886% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   68  17.82 +/- 1.00   0.000% *  0.0680% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   PRO   68  24.93 +/- 0.53   0.000% *  0.3428% (0.27   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   68  20.02 +/- 0.63   0.000% *  0.0857% (0.07   0.02   0.02) =   0.000%
        T HB2   GLN   30 - HG2   ARG+  54  24.49 +/- 0.84   0.000% *  0.2548% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   PRO   68  27.25 +/- 0.65   0.000% *  0.3172% (0.25   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   ARG+  54  33.53 +/- 0.36   0.000% *  0.3211% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.54 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 = 0.767, support = 4.79, residual support = 143.4:
      O T HD2   ARG+  54 - HG2   ARG+  54   2.87 +/- 0.17  48.489% * 84.4498% (0.87   4.82 161.14) =  86.036%  kept
      O   HD3   PRO   68 - HG3   PRO   68   2.88 +/- 0.13  46.964% * 14.1305% (0.15   4.63  33.91) =  13.943%  kept
          QB    PHE   55 - HG2   ARG+  54   5.88 +/- 1.02   3.710% *  0.1967% (0.49   0.02   1.96) =   0.015%
          HB3   CYS   53 - HG2   ARG+  54   5.89 +/- 0.59   0.776% *  0.3236% (0.80   0.02  30.50) =   0.005%
          HD3   PRO   93 - HG2   ARG+  54   9.21 +/- 0.40   0.046% *  0.2451% (0.61   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  11.41 +/- 0.77   0.013% *  0.1008% (0.25   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  22.40 +/- 0.45   0.000% *  0.2288% (0.57   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  17.16 +/- 0.13   0.001% *  0.0269% (0.07   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  23.17 +/- 0.23   0.000% *  0.0864% (0.21   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  21.49 +/- 0.19   0.000% *  0.0525% (0.13   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  25.39 +/- 1.05   0.000% *  0.0935% (0.23   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  25.40 +/- 0.30   0.000% *  0.0654% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 4.04, residual support = 161.1:
      O T HD3   ARG+  54 - HG2   ARG+  54   2.47 +/- 0.21 100.000% * 99.8681% (0.31   4.04 161.14) = 100.000%  kept
        T HD3   ARG+  54 - HG3   PRO   68  24.96 +/- 1.12   0.000% *  0.1319% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2672 (4.11, 1.86, 27.63 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.9, residual support = 161.1:
      O T HA    ARG+  54 - HG2   ARG+  54   2.49 +/- 0.41  99.975% * 97.7147% (1.00   4.90 161.14) = 100.000%  kept
          HA    ALA  124 - HG3   PRO   68  12.47 +/- 0.93   0.013% *  0.1044% (0.26   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   ARG+  54  16.54 +/- 0.74   0.003% *  0.2421% (0.61   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   PRO   68  14.83 +/- 0.44   0.004% *  0.0478% (0.12   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   ARG+  54  20.04 +/- 0.80   0.000% *  0.2582% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   ARG+  54  19.57 +/- 0.90   0.001% *  0.0699% (0.18   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG3   PRO   68  19.01 +/- 0.38   0.001% *  0.0646% (0.16   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   ARG+  54  27.88 +/- 0.85   0.000% *  0.3913% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   PRO   68  20.01 +/- 0.65   0.001% *  0.0560% (0.14   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG3   PRO   68  22.82 +/- 0.23   0.000% *  0.1065% (0.27   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   ARG+  54  27.40 +/- 1.00   0.000% *  0.2582% (0.65   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   PRO   68  22.98 +/- 0.37   0.000% *  0.0689% (0.17   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   PRO   68  21.21 +/- 0.46   0.000% *  0.0296% (0.07   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   ARG+  54  28.55 +/- 0.63   0.000% *  0.1790% (0.45   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   ARG+  54  30.17 +/- 1.20   0.000% *  0.1110% (0.28   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   PRO   68  23.09 +/- 0.39   0.000% *  0.0187% (0.05   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   ARG+  54  34.84 +/- 0.67   0.000% *  0.2100% (0.53   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG3   PRO   68  29.56 +/- 0.33   0.000% *  0.0689% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 6.66, residual support = 161.1:
          HN    ARG+  54 - HG2   ARG+  54   2.96 +/- 0.33  99.953% * 99.0784% (0.87   6.66 161.14) = 100.000%  kept
          HN    ASP-  62 - HG2   ARG+  54  12.69 +/- 0.33   0.021% *  0.1803% (0.53   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG3   PRO   68  12.75 +/- 0.17   0.020% *  0.0481% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   PRO   68  16.76 +/- 0.58   0.004% *  0.0883% (0.26   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   PRO   68  19.93 +/- 0.35   0.001% *  0.0410% (0.12   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   ARG+  54  26.53 +/- 0.86   0.000% *  0.1537% (0.45   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   PRO   68  24.34 +/- 0.20   0.000% *  0.0793% (0.23   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   ARG+  54  32.18 +/- 0.54   0.000% *  0.3308% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2674 (1.63, 1.95, 30.44 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 0.02, residual support = 0.02:
          QB    ALA   57 - HB3   ARG+  54   4.84 +/- 0.17  99.671% * 19.4000% (0.97   0.02   0.02) =  99.784%  kept
          HD2   LYS+  74 - HB3   ARG+  54  14.20 +/- 0.49   0.162% * 14.5972% (0.73   0.02   0.02) =   0.122%
          HD3   LYS+ 111 - HB3   ARG+  54  16.54 +/- 0.53   0.066% * 19.7041% (0.98   0.02   0.02) =   0.067%
          QD    LYS+  65 - HB3   ARG+  54  16.10 +/- 1.06   0.080% *  3.5205% (0.18   0.02   0.02) =   0.014%
          HB3   LEU  123 - HB3   ARG+  54  24.12 +/- 0.32   0.007% * 19.4000% (0.97   0.02   0.02) =   0.007%
          QD    LYS+  33 - HB3   ARG+  54  27.12 +/- 0.93   0.003% * 19.4000% (0.97   0.02   0.02) =   0.003%
          HB2   LYS+ 121 - HB3   ARG+  54  21.95 +/- 0.24   0.012% *  3.9782% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.39 A violated in 20 structures by 1.45 A, eliminated.
    Peak unassigned.
 
    Peak 2675 (7.87, 1.95, 30.44 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.43, residual support = 161.1:
      O   HN    ARG+  54 - HB3   ARG+  54   2.38 +/- 0.44  99.992% * 99.0008% (0.87   4.43 161.14) = 100.000%  kept
          HN    ASP-  62 - HB3   ARG+  54  12.92 +/- 0.18   0.008% *  0.2711% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ARG+  54  27.41 +/- 0.47   0.000% *  0.2310% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ARG+  54  32.78 +/- 0.33   0.000% *  0.4972% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2676 (7.87, 2.05, 30.44 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.38, residual support = 161.1:
      O   HN    ARG+  54 - HB2   ARG+  54   3.27 +/- 0.47  99.926% * 99.0602% (0.87   6.38 161.14) = 100.000%  kept
          HN    ASP-  62 - HB2   ARG+  54  12.53 +/- 0.32   0.041% *  0.1885% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   GLU-  14  16.38 +/- 1.57   0.010% *  0.0508% (0.14   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   GLU-  14  15.37 +/- 1.58   0.014% *  0.0236% (0.07   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   MET   11  21.62 +/- 3.36   0.003% *  0.0334% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   GLU-  14  19.80 +/- 1.02   0.003% *  0.0277% (0.08   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ARG+  54  27.88 +/- 0.63   0.000% *  0.1606% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ARG+  54  33.03 +/- 0.47   0.000% *  0.3457% (0.97   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   MET   11  22.75 +/- 3.49   0.002% *  0.0155% (0.04   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   GLU-  14  27.28 +/- 1.19   0.000% *  0.0457% (0.13   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG2   MET   11  25.95 +/- 2.86   0.001% *  0.0182% (0.05   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   MET   11  34.04 +/- 3.92   0.000% *  0.0300% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.246, support = 1.5, residual support = 22.9:
          QE    PHE   59 - HA    LEU  115   3.64 +/- 0.23  96.730% * 83.3682% (0.25   1.50  22.88) =  99.923%  kept
          QD    PHE   60 - HA    ARG+  54   7.72 +/- 0.52   1.191% *  2.5542% (0.57   0.02   0.02) =   0.038%
          HN    PHE   59 - HA    ARG+  54   7.66 +/- 0.16   1.180% *  1.8547% (0.41   0.02   0.02) =   0.027%
          QE    PHE   59 - HA    ARG+  54  11.50 +/- 0.24   0.105% *  3.6125% (0.80   0.02   0.02) =   0.005%
          HN    PHE   59 - HA    LEU  115   8.94 +/- 0.29   0.461% *  0.5707% (0.13   0.02  22.88) =   0.003%
          QD    PHE   60 - HA    LEU  115   9.85 +/- 0.29   0.263% *  0.7859% (0.17   0.02   0.02) =   0.003%
          HN    LYS+  66 - HA    LEU  115  12.90 +/- 0.39   0.051% *  1.3607% (0.30   0.02   0.02) =   0.001%
          HN    LYS+  66 - HA    ARG+  54  15.92 +/- 0.18   0.015% *  4.4221% (0.98   0.02   0.02) =   0.001%
          HN    LYS+  81 - HA    ARG+  54  21.12 +/- 0.54   0.003% *  1.1249% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LEU  115  23.73 +/- 0.39   0.001% *  0.3461% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2678 (7.86, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 6.31, residual support = 161.1:
      O   HN    ARG+  54 - HA    ARG+  54   2.71 +/- 0.01  83.830% * 98.7510% (0.97   6.31 161.14) =  99.980%  kept
      O   HN    PHE   55 - HA    ARG+  54   3.57 +/- 0.02  16.111% *  0.1001% (0.31   0.02   1.96) =   0.019%
          HN    ASP-  62 - HA    ARG+  54  10.54 +/- 0.15   0.025% *  0.3068% (0.95   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LEU  115  10.79 +/- 0.35   0.022% *  0.0944% (0.29   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU  115  14.37 +/- 0.21   0.004% *  0.0963% (0.30   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    LEU  115  12.54 +/- 0.22   0.009% *  0.0308% (0.09   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ARG+  54  25.45 +/- 0.54   0.000% *  0.2909% (0.90   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LEU  115  22.31 +/- 0.32   0.000% *  0.0895% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    LEU  115  23.60 +/- 0.22   0.000% *  0.0565% (0.17   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ARG+  54  30.61 +/- 0.44   0.000% *  0.1836% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2679 (7.61, 3.33, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 4.42, residual support = 16.1:
          HN    ILE   56 - QB    PHE   55   2.78 +/- 0.09  99.678% * 97.5226% (0.57   4.42  16.13) =  99.999%  kept
          HN    LYS+ 111 - QB    PHE   55   7.52 +/- 0.26   0.265% *  0.1733% (0.22   0.02   0.02) =   0.000%
          HN    LEU   63 - QB    PHE   55  11.31 +/- 0.18   0.022% *  0.5348% (0.69   0.02   0.02) =   0.000%
          QE    PHE   60 - QB    PHE   55  10.64 +/- 0.34   0.033% *  0.1941% (0.25   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QB    PHE   55  21.18 +/- 0.31   0.001% *  0.6503% (0.84   0.02   0.02) =   0.000%
          HN    ALA   84 - QB    PHE   55  19.29 +/- 0.40   0.001% *  0.1733% (0.22   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    PHE   55  27.32 +/- 0.59   0.000% *  0.7514% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2680 (7.85, 3.33, 38.95 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.03, residual support = 19.7:
      O   HN    PHE   55 - QB    PHE   55   2.10 +/- 0.09  98.844% * 97.3985% (0.73   3.03  19.68) =  99.994%  kept
          HN    ARG+  54 - QB    PHE   55   4.41 +/- 0.11   1.148% *  0.5363% (0.61   0.02   1.96) =   0.006%
          HN    ASP-  62 - QB    PHE   55  10.24 +/- 0.16   0.008% *  0.8163% (0.92   0.02   0.02) =   0.000%
          HN    ALA   88 - QB    PHE   55  19.08 +/- 0.32   0.000% *  0.2205% (0.25   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    PHE   55  24.17 +/- 0.37   0.000% *  0.8534% (0.97   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    PHE   55  27.96 +/- 0.28   0.000% *  0.1750% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.871, support = 0.0194, residual support = 0.0194:
          QD    PHE   60 - QB    PHE   55   8.91 +/- 0.30  94.304% * 36.5548% (0.90   0.02   0.02) =  97.102%  kept
          HN    LYS+  66 - QB    PHE   55  14.96 +/- 0.20   4.284% * 16.7569% (0.41   0.02   0.02) =   2.022%
          HN    LYS+  81 - QB    PHE   55  20.51 +/- 0.41   0.651% * 40.3993% (0.99   0.02   0.02) =   0.741%
          HE3   TRP   27 - QB    PHE   55  20.00 +/- 0.46   0.761% *  6.2891% (0.15   0.02   0.02) =   0.135%
    Distance limit 3.58 A violated in 20 structures by 5.33 A, eliminated.
    Peak unassigned.
 
    Peak 2682 (7.61, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 5.99, residual support = 114.2:
      O   HN    ILE   56 - HB    ILE   56   2.30 +/- 0.03  99.964% * 96.3215% (0.25   5.99 114.22) = 100.000%  kept
          QE    PHE   60 - HB    ILE   56   9.35 +/- 0.28   0.023% *  0.7299% (0.57   0.02   2.15) =   0.000%
          HN    LEU   63 - HB    ILE   56  10.22 +/- 0.20   0.013% *  0.4398% (0.34   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB    ILE   56  19.70 +/- 0.32   0.000% *  1.2892% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB    ILE   56  26.78 +/- 0.63   0.000% *  1.2196% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2683 (7.34, 1.88, 41.57 ppm):
    8 chemical-shift based assignments, quality = 0.601, support = 1.85, residual support = 9.38:
          QD    PHE   55 - HB    ILE   56   4.91 +/- 0.44  40.594% * 61.6314% (0.41   2.74  16.13) =  55.281%  kept
          QE    PHE   95 - HB    ILE   56   4.55 +/- 0.13  59.129% * 34.2241% (0.84   0.75   1.04) =  44.714%  kept
          HD1   TRP   49 - HB    ILE   56  11.66 +/- 0.25   0.208% *  0.8350% (0.76   0.02   0.02) =   0.004%
          HN    LEU   67 - HB    ILE   56  15.83 +/- 0.19   0.033% *  1.0830% (0.99   0.02   0.02) =   0.001%
          HD2   HIS   22 - HB    ILE   56  18.14 +/- 1.45   0.016% *  0.6627% (0.61   0.02   0.02) =   0.000%
          HN    THR   23 - HB    ILE   56  20.86 +/- 0.46   0.006% *  0.9478% (0.87   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB    ILE   56  18.56 +/- 0.46   0.013% *  0.3727% (0.34   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB    ILE   56  27.91 +/- 0.91   0.001% *  0.2433% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2684 (0.80, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.9, residual support = 114.2:
      O T QD1   ILE   56 - HB    ILE   56   2.05 +/- 0.04  99.998% * 98.7157% (0.87   3.90 114.22) = 100.000%  kept
          QD2   LEU   73 - HB    ILE   56  14.78 +/- 0.49   0.001% *  0.3539% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB    ILE   56  17.43 +/- 0.67   0.000% *  0.5233% (0.90   0.02   0.02) =   0.000%
        T QD2   LEU  123 - HB    ILE   56  14.87 +/- 0.37   0.001% *  0.1455% (0.25   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    ILE   56  22.03 +/- 0.61   0.000% *  0.2616% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2685 (0.80, 1.72, 31.79 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.58, residual support = 114.2:
      O T QD1   ILE   56 - QG1   ILE   56   1.91 +/- 0.01  99.995% * 98.6017% (0.87   3.58 114.22) = 100.000%  kept
        T QD2   LEU   73 - QG1   ILE   56  12.28 +/- 0.40   0.001% *  0.3853% (0.61   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QG1   ILE   56  13.17 +/- 0.58   0.001% *  0.5697% (0.90   0.02   0.02) =   0.000%
          QD2   LEU  123 - QG1   ILE   56  11.60 +/- 0.34   0.002% *  0.1584% (0.25   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   ILE   56  18.59 +/- 0.57   0.000% *  0.2848% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 3.9, residual support = 114.2:
        T QG2   ILE   56 - QD1   ILE   56   3.16 +/- 0.04  99.580% * 97.8457% (0.72   3.90 114.22) =  99.999%  kept
          QB    ALA   91 - QD1   ILE   56   9.17 +/- 0.68   0.228% *  0.2024% (0.29   0.02   0.02) =   0.000%
          QG2   THR   77 - QD1   ILE   56   9.12 +/- 0.34   0.176% *  0.1298% (0.19   0.02   0.02) =   0.000%
        T QB    ALA   34 - QD1   ILE   56  15.93 +/- 0.20   0.006% *  0.6054% (0.87   0.02   0.02) =   0.000%
          QG2   THR   23 - QD1   ILE   56  18.06 +/- 0.30   0.003% *  0.6429% (0.93   0.02   0.02) =   0.000%
          QG2   THR   39 - QD1   ILE   56  15.92 +/- 0.31   0.006% *  0.2024% (0.29   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   56  24.55 +/- 0.35   0.000% *  0.3713% (0.54   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2687 (1.43, 0.79, 15.02 ppm):
    14 chemical-shift based assignments, quality = 0.848, support = 2.63, residual support = 6.9:
          QB    ALA  110 - QD1   ILE   56   2.09 +/- 0.15  96.760% * 94.1019% (0.85   2.63   6.90) =  99.993%  kept
          HB3   LEU  115 - QD1   ILE   56   3.75 +/- 0.27   3.187% *  0.1776% (0.21   0.02   0.02) =   0.006%
          QB    ALA   61 - QD1   ILE   56   7.84 +/- 0.13   0.038% *  0.7958% (0.94   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD1   ILE   56  10.68 +/- 0.39   0.006% *  0.6919% (0.82   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   ILE   56  13.82 +/- 0.67   0.001% *  0.7818% (0.93   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - QD1   ILE   56  12.72 +/- 0.65   0.002% *  0.2218% (0.26   0.02   0.02) =   0.000%
          HG    LEU   73 - QD1   ILE   56  15.54 +/- 0.49   0.001% *  0.5479% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   ILE   56  13.92 +/- 0.37   0.001% *  0.1989% (0.24   0.02   0.02) =   0.000%
          HG    LEU   80 - QD1   ILE   56  17.57 +/- 0.88   0.000% *  0.7363% (0.87   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   ILE   56  13.31 +/- 0.88   0.002% *  0.1231% (0.15   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   ILE   56  18.01 +/- 0.27   0.000% *  0.6662% (0.79   0.02   0.02) =   0.000%
          HG    LEU   40 - QD1   ILE   56  15.00 +/- 0.69   0.001% *  0.1776% (0.21   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   56  17.29 +/- 0.92   0.000% *  0.3279% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   56  20.21 +/- 1.43   0.000% *  0.4516% (0.54   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2688 (1.71, 0.79, 15.02 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 3.58, residual support = 114.2:
      O T QG1   ILE   56 - QD1   ILE   56   1.91 +/- 0.01  99.875% * 97.5520% (0.85   3.58 114.22) = 100.000%  kept
          HB3   MET   92 - QD1   ILE   56   6.61 +/- 0.45   0.062% *  0.2499% (0.39   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   ILE   56   6.65 +/- 0.28   0.057% *  0.1876% (0.29   0.02   2.31) =   0.000%
          QD    LYS+ 106 - QD1   ILE   56  10.79 +/- 0.77   0.003% *  0.4646% (0.72   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   ILE   56  12.59 +/- 0.18   0.001% *  0.2282% (0.36   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   ILE   56  14.54 +/- 0.49   0.001% *  0.3442% (0.54   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   ILE   56  16.65 +/- 0.51   0.000% *  0.4868% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   56  17.29 +/- 0.38   0.000% *  0.4868% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2689 (1.89, 0.79, 15.02 ppm):
    10 chemical-shift based assignments, quality = 0.723, support = 3.9, residual support = 114.2:
      O T HB    ILE   56 - QD1   ILE   56   2.05 +/- 0.04  99.883% * 96.6944% (0.72   3.90 114.22) =  99.999%  kept
          HB3   PRO   58 - QD1   ILE   56   6.81 +/- 0.16   0.075% *  0.5818% (0.85   0.02   0.16) =   0.000%
          HB2   MET   92 - QD1   ILE   56   7.90 +/- 0.29   0.031% *  0.6430% (0.94   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   ILE   56   9.78 +/- 0.34   0.009% *  0.2213% (0.32   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE   56  13.85 +/- 0.65   0.001% *  0.1618% (0.24   0.02   0.02) =   0.000%
        T HB3   GLN   30 - QD1   ILE   56  18.96 +/- 0.23   0.000% *  0.6430% (0.94   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE   56  16.46 +/- 0.32   0.000% *  0.2002% (0.29   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE   56  23.35 +/- 0.30   0.000% *  0.5818% (0.85   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE   56  20.11 +/- 0.32   0.000% *  0.1284% (0.19   0.02   0.02) =   0.000%
          HG3   MET   11 - QD1   ILE   56  28.70 +/- 2.73   0.000% *  0.1444% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 1.22, residual support = 7.38:
        T HA    LYS+ 112 - QD1   ILE   56   3.08 +/- 0.14  99.815% * 97.7951% (0.79   1.22   7.38) =  99.999%  kept
          HB    THR   46 - QD1   ILE   56   9.09 +/- 0.22   0.155% *  0.5903% (0.29   0.02   0.02) =   0.001%
          HB2   HIS  122 - QD1   ILE   56  12.22 +/- 0.38   0.027% *  1.0828% (0.54   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   ILE   56  18.87 +/- 0.65   0.002% *  0.5318% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2691 (4.46, 0.79, 15.02 ppm):
    6 chemical-shift based assignments, quality = 0.938, support = 2.78, residual support = 6.9:
          HA    ALA  110 - QD1   ILE   56   2.44 +/- 0.16  98.493% * 98.1543% (0.94   2.78   6.90) =  99.992%  kept
          HA    PHE   55 - QD1   ILE   56   5.05 +/- 0.11   1.369% *  0.5698% (0.76   0.02  16.13) =   0.008%
          HA    VAL  107 - QD1   ILE   56   7.59 +/- 0.32   0.111% *  0.2670% (0.36   0.02   0.02) =   0.000%
          HA    GLN   90 - QD1   ILE   56  12.74 +/- 0.41   0.005% *  0.6731% (0.89   0.02   0.02) =   0.000%
          HA    ALA   91 - QD1   ILE   56  10.71 +/- 0.37   0.015% *  0.1774% (0.24   0.02   0.02) =   0.000%
          HA    VAL   42 - QD1   ILE   56  12.19 +/- 0.26   0.007% *  0.1584% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 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  11.53 +/- 0.21 100.000% *100.0000% (0.82   0.02   0.02) = 100.000%  kept
    Distance limit 3.71 A violated in 20 structures by 7.82 A, eliminated.
    Peak unassigned.
 
    Peak 2693 (7.23, 0.79, 15.02 ppm):
    3 chemical-shift based assignments, quality = 0.287, support = 0.0197, residual support = 18.5:
          HN    PHE   59 - QD1   ILE   56   4.76 +/- 0.14  99.383% * 14.7032% (0.29   0.02  18.79) =  98.274%  kept
          HN    HIS  122 - QD1   ILE   56  11.36 +/- 0.23   0.551% * 41.3220% (0.82   0.02   0.02) =   1.530%
          HH2   TRP   87 - QD1   ILE   56  16.19 +/- 0.35   0.066% * 43.9748% (0.87   0.02   0.02) =   0.195%
    Distance limit 3.82 A violated in 20 structures by 0.94 A, eliminated.
    Peak unassigned.
 
    Peak 2694 (7.39, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.409, support = 0.0199, residual support = 20.3:
          HN    ALA   57 - QD1   ILE   56   4.89 +/- 0.07  76.882% * 20.7175% (0.42   0.02  25.51) =  79.764%  kept
          HE21  GLN  116 - QD1   ILE   56   6.30 +/- 1.16  22.996% * 17.3432% (0.36   0.02   0.02) =  19.972%  kept
          HE21  GLN   90 - QD1   ILE   56  14.79 +/- 1.28   0.116% * 44.5961% (0.91   0.02   0.02) =   0.259%
          HD21  ASN   35 - QD1   ILE   56  23.54 +/- 0.68   0.006% * 17.3432% (0.36   0.02   0.02) =   0.005%
    Distance limit 4.20 A violated in 20 structures by 0.47 A, eliminated.
    Peak unassigned.
 
    Peak 2695 (7.61, 0.79, 15.02 ppm):
    5 chemical-shift based assignments, quality = 0.236, support = 4.58, residual support = 114.2:
          HN    ILE   56 - QD1   ILE   56   3.52 +/- 0.06  99.117% * 95.2422% (0.24   4.58 114.22) =  99.993%  kept
          QE    PHE   60 - QD1   ILE   56   9.00 +/- 0.17   0.359% *  0.9441% (0.54   0.02   2.15) =   0.004%
          HN    LEU   63 - QD1   ILE   56   8.48 +/- 0.22   0.515% *  0.5688% (0.32   0.02   0.02) =   0.003%
          HZ2   TRP   87 - QD1   ILE   56  16.88 +/- 0.28   0.008% *  1.6675% (0.95   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   ILE   56  23.33 +/- 0.52   0.001% *  1.5774% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2696 (8.51, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.498, support = 1.74, residual support = 7.38:
          HN    LYS+ 112 - QD1   ILE   56   3.79 +/- 0.07  99.852% * 97.4191% (0.50   1.74   7.38) =  99.999%  kept
          HN    ASP-  78 - QD1   ILE   56  14.00 +/- 0.28   0.040% *  1.3791% (0.61   0.02   0.02) =   0.001%
          HN    VAL   75 - QD1   ILE   56  11.88 +/- 0.22   0.107% *  0.4746% (0.21   0.02   0.02) =   0.001%
          HN    MET   11 - QD1   ILE   56  29.49 +/- 2.97   0.001% *  0.7272% (0.32   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2697 (3.18, 1.72, 31.79 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.0, residual support = 18.8:
        T HB3   PHE   59 - QG1   ILE   56   2.73 +/- 0.42  98.860% * 99.0044% (0.38   3.00  18.79) =  99.988%  kept
          HB2   PHE   95 - QG1   ILE   56   6.09 +/- 0.19   1.140% *  0.9956% (0.57   0.02   1.04) =   0.012%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2698 (3.35, 1.72, 31.79 ppm):
    6 chemical-shift based assignments, quality = 0.396, support = 2.8, residual support = 18.2:
        T HB2   PHE   59 - QG1   ILE   56   3.09 +/- 0.51  88.822% * 25.4657% (0.34   2.49  18.79) =  79.191%  kept
          QB    PHE   55 - QG1   ILE   56   4.80 +/- 0.03   8.169% * 72.5796% (0.61   3.99  16.13) =  20.759%  kept
          HD3   PRO   93 - QG1   ILE   56   6.19 +/- 0.29   1.836% *  0.4360% (0.73   0.02   0.02) =   0.028%
          HB3   CYS   53 - QG1   ILE   56   6.77 +/- 0.12   1.082% *  0.5384% (0.90   0.02   0.02) =   0.020%
          HD2   ARG+  54 - QG1   ILE   56  10.32 +/- 0.50   0.082% *  0.5679% (0.95   0.02   0.02) =   0.002%
          HD3   PRO   68 - QG1   ILE   56  15.04 +/- 0.30   0.009% *  0.4124% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2699 (6.90, 1.72, 31.79 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QG1   ILE   56  10.61 +/- 0.24 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 4.32 A violated in 20 structures by 6.29 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 = 18.8:
          QD    PHE   59 - QG1   ILE   56   2.40 +/- 0.54  99.976% * 96.4509% (0.34   1.97  18.79) = 100.000%  kept
          HN    HIS  122 - QG1   ILE   56  11.33 +/- 0.24   0.020% *  1.1777% (0.41   0.02   0.02) =   0.000%
          HH2   TRP   87 - QG1   ILE   56  15.81 +/- 0.34   0.003% *  1.3943% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - QG1   ILE   56  18.65 +/- 0.43   0.001% *  0.9771% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2701 (7.61, 4.38, 60.23 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 5.05, residual support = 114.2:
      O   HN    ILE   56 - HA    ILE   56   2.93 +/- 0.00  99.655% * 95.6651% (0.25   5.05 114.22) =  99.998%  kept
          QE    PHE   60 - HA    ILE   56   8.82 +/- 0.25   0.135% *  0.8602% (0.57   0.02   2.15) =   0.001%
          HN    LEU   63 - HA    ILE   56   8.18 +/- 0.17   0.210% *  0.5182% (0.34   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HA    ILE   56  20.73 +/- 0.32   0.001% *  1.5193% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    ILE   56  27.82 +/- 0.61   0.000% *  1.4372% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 4.94, residual support = 24.0:
        T HD2   PRO   58 - QB    ALA   57   2.16 +/- 0.04  94.975% * 98.9037% (0.95   4.94  23.97) =  99.992%  kept
          HB2   CYS   53 - QB    ALA   57   3.55 +/- 0.15   5.025% *  0.1444% (0.34   0.02   0.02) =   0.008%
        T HA    VAL   83 - QB    ALA   57  19.10 +/- 0.49   0.000% *  0.4148% (0.98   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    ALA   57  23.27 +/- 0.36   0.000% *  0.4195% (0.99   0.02   0.02) =   0.000%
          HA    LYS+  38 - QB    ALA   57  22.88 +/- 0.31   0.000% *  0.1177% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2703 (7.44, 1.64, 16.31 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 4.58, residual support = 23.2:
      O   HN    ALA   57 - QB    ALA   57   2.08 +/- 0.02  99.991% * 93.7102% (0.18   4.58  23.20) = 100.000%  kept
          HE21  GLN  116 - QB    ALA   57  10.80 +/- 1.52   0.007% *  0.5203% (0.22   0.02   0.02) =   0.000%
          HE21  GLN   17 - QB    ALA   57  14.03 +/- 0.88   0.001% *  1.6971% (0.73   0.02   0.02) =   0.000%
          HN    ALA  120 - QB    ALA   57  14.16 +/- 0.13   0.001% *  1.3231% (0.57   0.02   0.02) =   0.000%
          HN    ALA  124 - QB    ALA   57  17.69 +/- 0.42   0.000% *  1.9521% (0.84   0.02   0.02) =   0.000%
          HN    LEU  123 - QB    ALA   57  15.63 +/- 0.23   0.001% *  0.7972% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2704 (7.42, 4.26, 57.40 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 4.21, residual support = 23.2:
      O   HN    ALA   57 - HA    ALA   57   2.88 +/- 0.01  99.968% * 98.1355% (0.57   4.21  23.20) = 100.000%  kept
          HE21  GLN  116 - HA    ALA   57  12.13 +/- 1.70   0.023% *  0.5324% (0.65   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   57  15.38 +/- 0.15   0.004% *  0.7943% (0.97   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   57  16.15 +/- 0.91   0.003% *  0.2288% (0.28   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   57  19.82 +/- 0.46   0.001% *  0.3089% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 23.2:
      O T QB    ALA   57 - HA    ALA   57   2.13 +/- 0.00  99.870% * 92.7211% (0.53   2.81  23.20) =  99.999%  kept
          HD2   LYS+  74 - HA    ALA   57   8.96 +/- 0.97   0.023% *  1.0481% (0.84   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    ALA   57   6.87 +/- 0.36   0.095% *  0.2198% (0.18   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    ALA   57  10.44 +/- 1.01   0.010% *  1.1253% (0.90   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    ALA   57  16.34 +/- 0.29   0.000% *  1.1583% (0.92   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    ALA   57  16.33 +/- 0.10   0.000% *  0.6108% (0.49   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    ALA   57  19.18 +/- 0.52   0.000% *  1.0481% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    ALA   57  18.99 +/- 0.30   0.000% *  0.3129% (0.25   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    ALA   57  18.17 +/- 0.29   0.000% *  0.1936% (0.15   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    ALA   57  20.99 +/- 1.02   0.000% *  0.3129% (0.25   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    ALA   57  25.52 +/- 0.40   0.000% *  0.8619% (0.69   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    ALA   57  23.32 +/- 1.39   0.000% *  0.3873% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.141, support = 0.0183, residual support = 0.0183:
          HN    CYS   53 - HB2   PRO   58  11.25 +/- 0.09  97.472% *  5.7685% (0.15   0.02   0.02) =  91.451%  kept
          HN    SER   85 - HB2   PRO   58  26.10 +/- 0.41   0.627% * 29.9364% (0.80   0.02   0.02) =   3.053%
          HN    GLN   32 - HB2   PRO   58  28.55 +/- 0.46   0.367% * 37.3861% (1.00   0.02   0.02) =   2.229%
          HN    LEU   80 - HB2   PRO   58  24.56 +/- 0.67   0.913% * 11.5391% (0.31   0.02   0.02) =   1.714%
          HN    ALA   34 - HB2   PRO   58  26.14 +/- 0.43   0.621% * 15.3699% (0.41   0.02   0.02) =   1.553%
    Distance limit 4.40 A violated in 20 structures by 6.85 A, eliminated.
    Peak unassigned.
 
    Peak 2707 (7.26, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 6.26, residual support = 37.7:
      O   HN    PHE   59 - HB3   PRO   58   3.21 +/- 0.12  98.952% * 98.9612% (0.61   6.26  37.68) =  99.997%  kept
          QE    PHE   59 - HB3   PRO   58   8.21 +/- 0.10   0.354% *  0.4316% (0.83   0.02  37.68) =   0.002%
          QD    PHE   60 - HB3   PRO   58   7.64 +/- 0.34   0.564% *  0.1211% (0.23   0.02   0.02) =   0.001%
          HN    LYS+  66 - HB3   PRO   58  10.03 +/- 0.22   0.107% *  0.3328% (0.64   0.02   0.02) =   0.000%
          HN    HIS  122 - HB3   PRO   58  13.08 +/- 0.33   0.022% *  0.0862% (0.17   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PRO   58  23.73 +/- 0.41   0.001% *  0.0672% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2708 (3.81, 1.98, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.39, residual support = 135.6:
      O   HD2   PRO   58 - HG3   PRO   58   2.30 +/- 0.00  99.971% * 98.9949% (0.95   5.39 135.60) = 100.000%  kept
          HB2   CYS   53 - HG3   PRO   58   8.95 +/- 0.15   0.029% *  0.1323% (0.34   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   58  26.72 +/- 0.46   0.000% *  0.3803% (0.98   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   58  29.50 +/- 0.34   0.000% *  0.3846% (0.99   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   58  29.05 +/- 0.27   0.000% *  0.1079% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 135.6:
      O   HA    PRO   58 - HG3   PRO   58   3.88 +/- 0.00  99.883% * 96.9581% (0.76   4.50 135.60) =  99.999%  kept
          HA    THR   46 - HG3   PRO   58  12.76 +/- 0.39   0.081% *  0.5442% (0.97   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   58  16.18 +/- 0.35   0.019% *  0.5205% (0.92   0.02   0.02) =   0.000%
          HA    VAL   42 - HG3   PRO   58  17.91 +/- 0.27   0.010% *  0.2116% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   58  21.92 +/- 0.34   0.003% *  0.4515% (0.80   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   58  23.17 +/- 0.26   0.002% *  0.3420% (0.61   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   58  27.22 +/- 1.71   0.001% *  0.4515% (0.80   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   58  30.62 +/- 0.60   0.000% *  0.5205% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2710 (7.42, 3.81, 50.93 ppm):
    5 chemical-shift based assignments, quality = 0.536, support = 5.26, residual support = 24.0:
          HN    ALA   57 - HD2   PRO   58   1.81 +/- 0.04  99.995% * 98.5025% (0.54   5.26  23.97) = 100.000%  kept
          HE21  GLN  116 - HD2   PRO   58  10.31 +/- 1.88   0.004% *  0.4277% (0.61   0.02   0.02) =   0.000%
          HN    ALA  120 - HD2   PRO   58  14.91 +/- 0.19   0.000% *  0.6380% (0.91   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   58  18.55 +/- 1.15   0.000% *  0.1838% (0.26   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   58  19.51 +/- 0.55   0.000% *  0.2481% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2711 (4.42, 3.72, 50.93 ppm):
    16 chemical-shift based assignments, quality = 0.723, support = 6.52, residual support = 135.6:
      O   HA    PRO   58 - HD3   PRO   58   3.98 +/- 0.00  98.261% * 97.7769% (0.72   6.52 135.60) =  99.998%  kept
          HA    THR   46 - HD3   PRO   58  10.24 +/- 0.34   0.345% *  0.3786% (0.91   0.02   0.02) =   0.001%
          HA    GLN   17 - HD3   PRO   58  15.18 +/- 0.35   0.032% *  0.3621% (0.87   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   68   9.28 +/- 0.43   0.636% *  0.0160% (0.04   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   68  10.48 +/- 0.63   0.316% *  0.0139% (0.03   0.02   0.02) =   0.000%
          HA    VAL   42 - HD3   PRO   58  15.45 +/- 0.28   0.029% *  0.1472% (0.36   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   68  11.54 +/- 0.40   0.168% *  0.0105% (0.03   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD3   PRO   58  20.72 +/- 0.37   0.005% *  0.3141% (0.76   0.02   0.02) =   0.000%
          HA    LEU   40 - HD3   PRO   58  21.04 +/- 0.26   0.004% *  0.2379% (0.57   0.02   0.02) =   0.000%
          HA    VAL   42 - HD2   PRO   68  12.56 +/- 0.26   0.100% *  0.0065% (0.02   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   68  15.24 +/- 1.31   0.036% *  0.0139% (0.03   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   68  15.60 +/- 0.73   0.028% *  0.0160% (0.04   0.02   0.02) =   0.000%
          HA    PRO   58 - HD2   PRO   68  15.08 +/- 0.31   0.033% *  0.0133% (0.03   0.02   0.02) =   0.000%
          HA    SER   13 - HD3   PRO   58  26.35 +/- 1.74   0.001% *  0.3141% (0.76   0.02   0.02) =   0.000%
          HA    SER   37 - HD3   PRO   58  28.72 +/- 0.55   0.001% *  0.3621% (0.87   0.02   0.02) =   0.000%
          HA    THR   46 - HD2   PRO   68  21.21 +/- 0.39   0.004% *  0.0168% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2712 (7.42, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.536, support = 3.89, residual support = 24.0:
          HN    ALA   57 - HD3   PRO   58   1.95 +/- 0.03  99.975% * 97.8727% (0.54   3.89  23.97) = 100.000%  kept
          HE21  GLN  116 - HD3   PRO   58   8.93 +/- 1.83   0.018% *  0.5756% (0.61   0.02   0.02) =   0.000%
          HN    ALA  120 - HD3   PRO   58  13.34 +/- 0.16   0.001% *  0.8588% (0.91   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   68  10.98 +/- 0.79   0.003% *  0.0148% (0.02   0.02   0.02) =   0.000%
          HN    ALA  124 - HD3   PRO   58  18.36 +/- 0.52   0.000% *  0.3340% (0.36   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD3   PRO   58  18.76 +/- 1.08   0.000% *  0.2474% (0.26   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   68  12.50 +/- 1.31   0.002% *  0.0110% (0.01   0.02   0.02) =   0.000%
          HN    ALA  120 - HD2   PRO   68  14.71 +/- 0.48   0.001% *  0.0380% (0.04   0.02   0.02) =   0.000%
          HE21  GLN  116 - HD2   PRO   68  18.22 +/- 0.60   0.000% *  0.0255% (0.03   0.02   0.02) =   0.000%
          HN    ALA   57 - HD2   PRO   68  18.72 +/- 0.30   0.000% *  0.0223% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2713 (1.64, 3.72, 50.93 ppm):
    18 chemical-shift based assignments, quality = 0.873, support = 3.3, residual support = 24.0:
          QB    ALA   57 - HD3   PRO   58   3.30 +/- 0.03  99.259% * 96.7335% (0.87   3.30  23.97) =  99.999%  kept
          QD    LYS+  65 - HD3   PRO   58  11.29 +/- 0.91   0.076% *  0.3093% (0.46   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD3   PRO   58  12.61 +/- 0.98   0.036% *  0.6298% (0.94   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD3   PRO   58  14.68 +/- 0.23   0.013% *  0.5698% (0.85   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD2   PRO   68   8.10 +/- 0.46   0.491% *  0.0137% (0.02   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD3   PRO   58  15.41 +/- 0.19   0.010% *  0.3343% (0.50   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   PRO   58  17.13 +/- 0.32   0.005% *  0.4110% (0.61   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   68  12.84 +/- 0.75   0.031% *  0.0182% (0.03   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   68  12.66 +/- 0.98   0.035% *  0.0148% (0.02   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   PRO   58  23.51 +/- 1.03   0.001% *  0.4110% (0.61   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   PRO   58  22.12 +/- 0.49   0.001% *  0.2612% (0.39   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   68  14.56 +/- 1.33   0.016% *  0.0182% (0.03   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   PRO   68  15.46 +/- 0.29   0.010% *  0.0260% (0.04   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   PRO   68  17.44 +/- 1.62   0.005% *  0.0279% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   PRO   68  15.42 +/- 0.70   0.010% *  0.0078% (0.01   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   PRO   58  26.99 +/- 0.26   0.000% *  0.1767% (0.26   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   68  25.61 +/- 0.52   0.000% *  0.0252% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   PRO   68  24.93 +/- 0.62   0.001% *  0.0116% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2714 (1.64, 3.81, 50.93 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 4.94, residual support = 24.0:
        T QB    ALA   57 - HD2   PRO   58   2.16 +/- 0.04  99.990% * 97.9034% (0.87   4.94  23.97) = 100.000%  kept
        T QD    LYS+  65 - HD2   PRO   58  11.23 +/- 0.89   0.006% *  0.2090% (0.46   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HD2   PRO   58  12.67 +/- 0.96   0.003% *  0.4255% (0.94   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   58  16.08 +/- 0.22   0.001% *  0.3850% (0.85   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   58  17.03 +/- 0.17   0.000% *  0.2259% (0.50   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   58  18.39 +/- 0.36   0.000% *  0.2777% (0.61   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   58  24.01 +/- 1.05   0.000% *  0.2777% (0.61   0.02   0.02) =   0.000%
        T HB    VAL   83 - HD2   PRO   58  22.72 +/- 0.51   0.000% *  0.1765% (0.39   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   PRO   58  27.98 +/- 0.30   0.000% *  0.1194% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2715 (3.81, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 7.73, residual support = 135.6:
      O T HD2   PRO   58 - HD3   PRO   58   1.75 +/- 0.00  99.978% * 99.2544% (0.89   7.73 135.60) = 100.000%  kept
          HB2   CYS   53 - HD3   PRO   58   7.14 +/- 0.12   0.022% *  0.0926% (0.32   0.02   0.02) =   0.000%
          HA    VAL   83 - HD3   PRO   58  23.95 +/- 0.43   0.000% *  0.2660% (0.93   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD3   PRO   58  27.19 +/- 0.31   0.000% *  0.2690% (0.94   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD2   PRO   68  17.64 +/- 0.56   0.000% *  0.0119% (0.04   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   PRO   68  18.42 +/- 0.30   0.000% *  0.0114% (0.04   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD2   PRO   68  15.49 +/- 0.58   0.000% *  0.0033% (0.01   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   58  26.93 +/- 0.25   0.000% *  0.0755% (0.26   0.02   0.02) =   0.000%
          HB2   CYS   53 - HD2   PRO   68  21.41 +/- 0.37   0.000% *  0.0041% (0.01   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   PRO   68  26.61 +/- 0.52   0.000% *  0.0118% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2716 (3.72, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 7.73, residual support = 135.6:
      O T HD3   PRO   58 - HD2   PRO   58   1.75 +/- 0.00  99.991% * 99.5819% (0.95   7.73 135.60) = 100.000%  kept
          HA    ALA   61 - HD2   PRO   58   8.29 +/- 0.16   0.009% *  0.1155% (0.42   0.02   0.75) =   0.000%
          HA    VAL   75 - HD2   PRO   58  16.87 +/- 0.42   0.000% *  0.2310% (0.85   0.02   0.02) =   0.000%
        T HD2   PRO   68 - HD2   PRO   58  18.42 +/- 0.30   0.000% *  0.0716% (0.26   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2717 (7.24, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.61, residual support = 37.7:
          HN    PHE   59 - HD2   PRO   58   3.69 +/- 0.02  99.486% * 99.0641% (0.69   6.61  37.68) =  99.999%  kept
          QE    PHE   59 - HD2   PRO   58   8.93 +/- 0.10   0.496% *  0.1408% (0.32   0.02  37.68) =   0.001%
          HN    HIS  122 - HD2   PRO   58  15.78 +/- 0.22   0.016% *  0.4046% (0.93   0.02   0.02) =   0.000%
          HH2   TRP   87 - HD2   PRO   58  22.87 +/- 0.40   0.002% *  0.3905% (0.89   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2718 (1.74, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 3.0, residual support = 18.8:
        T QG1   ILE   56 - HB3   PHE   59   2.73 +/- 0.42  99.997% * 97.9799% (0.53   3.00  18.79) = 100.000%  kept
          HB    ILE   89 - HB3   PHE   59  16.83 +/- 0.64   0.002% *  1.2170% (0.98   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   PHE   59  18.84 +/- 0.47   0.001% *  0.8032% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2719 (2.43, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.719, support = 0.331, residual support = 1.64:
          QE    LYS+ 112 - HB3   PHE   59   3.81 +/- 0.19  89.395% * 23.8189% (0.80   0.17   0.22) =  76.800%  kept
          HB3   ASP-  62 - HB3   PHE   59   5.64 +/- 0.50   9.750% * 65.8462% (0.45   0.86   6.35) =  23.157%  kept
          HB    VAL  107 - HB3   PHE   59   8.51 +/- 0.32   0.791% *  1.2893% (0.38   0.02   0.02) =   0.037%
          HB3   PHE   45 - HB3   PHE   59  13.10 +/- 0.72   0.062% *  2.7507% (0.80   0.02   0.02) =   0.006%
          HB3   ASP-  86 - HB3   PHE   59  24.06 +/- 0.71   0.002% *  2.9798% (0.87   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB3   PHE   59  28.17 +/- 1.31   0.001% *  3.3152% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2720 (1.75, 3.32, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 2.49, residual support = 18.8:
        T QG1   ILE   56 - HB2   PHE   59   3.09 +/- 0.51  99.978% * 92.5039% (0.18   2.49  18.79) = 100.000%  kept
          HB    VAL   43 - HB2   PHE   59  14.19 +/- 0.83   0.013% *  1.4489% (0.34   0.02   0.02) =   0.000%
          HB    ILE   89 - HB2   PHE   59  17.27 +/- 0.85   0.004% *  2.7479% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB2   PHE   59  18.92 +/- 0.39   0.003% *  1.0592% (0.25   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   PHE   59  19.72 +/- 0.64   0.002% *  1.0592% (0.25   0.02   0.02) =   0.000%
          QD    LYS+  81 - HB2   PHE   59  21.39 +/- 0.93   0.001% *  1.1810% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2721 (7.23, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 4.98, residual support = 54.7:
      O   HN    PHE   59 - HB3   PHE   59   2.26 +/- 0.22  99.988% * 97.7225% (0.31   4.98  54.66) = 100.000%  kept
          HN    HIS  122 - HB3   PHE   59  10.81 +/- 0.53   0.012% *  1.1033% (0.87   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PHE   59  19.36 +/- 0.52   0.000% *  1.1741% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2723 (7.25, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.37, residual support = 54.7:
      O   HN    PHE   59 - HB2   PHE   59   2.46 +/- 0.23  97.023% * 98.9852% (1.00   4.37  54.66) =  99.989%  kept
          QE    PHE   59 - HB2   PHE   59   4.49 +/- 0.05   2.931% *  0.3624% (0.80   0.02  54.66) =   0.011%
          HN    HIS  122 - HB2   PHE   59  10.54 +/- 0.44   0.020% *  0.2745% (0.61   0.02   0.02) =   0.000%
          HN    LYS+  66 - HB2   PHE   59   9.91 +/- 0.18   0.026% *  0.1397% (0.31   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   PHE   59  19.67 +/- 0.72   0.000% *  0.2381% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2724 (2.65, 4.35, 60.90 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 1.5, residual support = 6.35:
          HB2   ASP-  62 - HA    PHE   59   3.09 +/- 0.51  99.926% * 99.1175% (0.99   1.50   6.35) = 100.000%  kept
          HB2   PRO   52 - HA    PHE   59  12.24 +/- 0.40   0.035% *  0.6490% (0.49   0.02   0.02) =   0.000%
        T QB    ASP- 113 - HA    PHE   59  12.03 +/- 0.40   0.038% *  0.2335% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2725 (2.48, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 2.91, residual support = 6.35:
          HB3   ASP-  62 - HA    PHE   59   2.96 +/- 0.42  99.800% * 93.0321% (0.18   2.91   6.35) =  99.997%  kept
          HG3   GLN  116 - HA    PHE   59   9.14 +/- 0.73   0.194% *  1.2447% (0.34   0.02   0.02) =   0.003%
          HG3   MET   96 - HA    PHE   59  16.20 +/- 0.31   0.005% *  1.9199% (0.53   0.02   0.02) =   0.000%
        T HB3   TRP   87 - HA    PHE   59  20.00 +/- 0.33   0.001% *  1.0146% (0.28   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    PHE   59  27.84 +/- 1.41   0.000% *  2.7887% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2726 (7.25, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 54.7:
      O   HN    PHE   59 - HA    PHE   59   2.78 +/- 0.02  96.088% * 99.0865% (1.00   4.86  54.66) =  99.987%  kept
          QE    PHE   59 - HA    PHE   59   4.82 +/- 0.16   3.632% *  0.3263% (0.80   0.02  54.66) =   0.012%
          HN    LYS+  66 - HA    PHE   59   7.71 +/- 0.23   0.218% *  0.1258% (0.31   0.02   0.02) =   0.000%
          HN    HIS  122 - HA    PHE   59   9.52 +/- 0.24   0.061% *  0.2471% (0.61   0.02   0.02) =   0.000%
          HH2   TRP   87 - HA    PHE   59  20.37 +/- 0.43   0.001% *  0.2144% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 0.607, support = 4.0, residual support = 15.3:
          HN    PHE   60 - HB3   PHE   59   2.99 +/- 0.64  98.368% * 98.7550% (0.61   4.00  15.33) =  99.997%  kept
          HN    GLN  116 - HB3   PHE   59   7.29 +/- 0.55   1.285% *  0.1425% (0.18   0.02   0.02) =   0.002%
          HN    THR  118 - HB3   PHE   59   8.94 +/- 0.47   0.347% *  0.3053% (0.38   0.02   6.03) =   0.001%
          HN    GLU-  15 - HB3   PHE   59  21.41 +/- 0.86   0.001% *  0.7973% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2729 (7.28, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 3.93, residual support = 70.2:
          QD    PHE   60 - HA    PHE   60   2.80 +/- 0.34  87.451% * 99.1025% (1.00   3.93  70.18) =  99.981%  kept
          QE    PHE   59 - HA    PHE   60   4.25 +/- 0.55  12.141% *  0.1260% (0.25   0.02  15.33) =   0.018%
          HN    LYS+  66 - HA    PHE   60   7.09 +/- 0.18   0.406% *  0.3669% (0.73   0.02   0.02) =   0.002%
          HN    LYS+  81 - HA    PHE   60  20.66 +/- 0.44   0.001% *  0.4046% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2730 (8.20, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.64, residual support = 70.2:
      O   HN    PHE   60 - HA    PHE   60   2.80 +/- 0.02  99.925% * 98.9235% (0.61   4.64  70.18) = 100.000%  kept
          HN    THR  118 - HA    PHE   60  10.46 +/- 0.25   0.037% *  0.2639% (0.38   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    PHE   60  10.52 +/- 0.42   0.036% *  0.1232% (0.18   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    PHE   60  17.00 +/- 0.67   0.002% *  0.6894% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2731 (7.73, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 4.87, residual support = 40.9:
      O   HN    ALA   61 - HA    PHE   60   3.63 +/- 0.01  99.947% * 98.3076% (0.84   4.87  40.87) = 100.000%  kept
          HN    ALA   91 - HA    PHE   60  16.07 +/- 0.54   0.014% *  0.4332% (0.90   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    PHE   60  15.50 +/- 0.38   0.017% *  0.2541% (0.53   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    PHE   60  18.94 +/- 0.41   0.005% *  0.4788% (0.99   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    PHE   60  17.08 +/- 0.43   0.009% *  0.2166% (0.45   0.02   0.02) =   0.000%
          HN    THR   39 - HA    PHE   60  18.28 +/- 0.40   0.006% *  0.2351% (0.49   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    PHE   60  22.08 +/- 0.38   0.002% *  0.0745% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2732 (4.29, 3.40, 40.02 ppm):
    12 chemical-shift based assignments, quality = 0.154, support = 0.749, residual support = 0.748:
          HA    ALA   57 - HB2   PHE   60   2.92 +/- 0.18  99.290% * 42.7977% (0.15   0.75   0.75) =  99.879%  kept
          HA    ASP-  44 - HB2   PHE   60   6.88 +/- 0.36   0.682% *  7.3803% (1.00   0.02   3.11) =   0.118%
          HB    THR   77 - HB2   PHE   60  14.81 +/- 0.35   0.006% *  7.2502% (0.98   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB2   PHE   60  13.09 +/- 0.26   0.013% *  2.7761% (0.38   0.02   0.02) =   0.001%
          HA    ILE  103 - HB2   PHE   60  17.58 +/- 0.40   0.002% *  6.8280% (0.92   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   PHE   60  19.91 +/- 0.44   0.001% *  7.2502% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   PHE   60  18.45 +/- 0.34   0.002% *  4.1877% (0.57   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   PHE   60  19.23 +/- 0.55   0.001% *  3.6004% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   PHE   60  19.43 +/- 0.78   0.001% *  3.0409% (0.41   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   PHE   60  27.34 +/- 3.59   0.000% *  7.3967% (1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   PHE   60  21.88 +/- 0.32   0.001% *  3.6004% (0.49   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   PHE   60  24.61 +/- 2.13   0.000% *  3.8916% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2733 (7.30, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.76, residual support = 70.2:
      O   QD    PHE   60 - HB2   PHE   60   2.34 +/- 0.05  99.944% * 98.8202% (0.76   3.76  70.18) = 100.000%  kept
          HN    LYS+  66 - HB2   PHE   60   9.13 +/- 0.15   0.029% *  0.1911% (0.28   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   PHE   60   9.30 +/- 0.29   0.025% *  0.1360% (0.20   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   PHE   60  15.04 +/- 0.51   0.001% *  0.1714% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB2   PHE   60  19.59 +/- 0.35   0.000% *  0.6813% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 4.84, residual support = 40.9:
          HN    ALA   61 - HB2   PHE   60   2.57 +/- 0.12  99.993% * 95.6895% (0.38   4.84  40.87) = 100.000%  kept
          HN    ALA   91 - HB2   PHE   60  15.07 +/- 0.46   0.003% *  0.4724% (0.45   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   PHE   60  17.24 +/- 0.44   0.001% *  0.9451% (0.90   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   PHE   60  18.98 +/- 0.48   0.001% *  0.8438% (0.80   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   PHE   60  20.46 +/- 0.52   0.000% *  0.9728% (0.92   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   PHE   60  16.31 +/- 0.45   0.002% *  0.1626% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   PHE   60  21.14 +/- 0.58   0.000% *  0.3595% (0.34   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   PHE   60  23.85 +/- 0.49   0.000% *  0.5544% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2735 (8.20, 3.40, 40.02 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.5, residual support = 70.2:
      O   HN    PHE   60 - HB2   PHE   60   2.03 +/- 0.12  99.995% * 98.8913% (0.61   4.50  70.18) = 100.000%  kept
          HN    THR  118 - HB2   PHE   60  12.43 +/- 0.32   0.002% *  0.2718% (0.38   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   PHE   60  11.60 +/- 0.46   0.003% *  0.1268% (0.18   0.02   0.02) =   0.000%
          HN    GLU-  15 - HB2   PHE   60  17.80 +/- 0.68   0.000% *  0.7100% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2736 (0.58, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 3.22, residual support = 11.5:
        T QD1   LEU   63 - HA    PHE   60   2.56 +/- 0.49  86.832% * 97.6079% (1.00   3.22  11.48) =  99.946%  kept
          QD2   LEU   63 - HA    PHE   60   4.39 +/- 0.68  12.645% *  0.3434% (0.57   0.02  11.48) =   0.051%
          QD2   LEU  115 - HA    PHE   60   6.33 +/- 0.73   0.501% *  0.5067% (0.84   0.02   0.02) =   0.003%
        T QD1   LEU   73 - HA    PHE   60  11.65 +/- 0.31   0.013% *  0.6066% (1.00   0.02   0.21) =   0.000%
        T QD1   LEU  104 - HA    PHE   60  13.17 +/- 0.69   0.006% *  0.3434% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    PHE   60  15.60 +/- 0.90   0.002% *  0.4857% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    PHE   60  16.53 +/- 0.88   0.002% *  0.1062% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2737 (1.35, 3.92, 62.21 ppm):
    15 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 11.5:
        T HB2   LEU   63 - HA    PHE   60   2.43 +/- 0.25  95.835% * 89.3097% (0.92   1.50  11.48) =  99.939%  kept
          HB3   ASP-  44 - HA    PHE   60   4.44 +/- 0.39   4.025% *  1.2644% (0.98   0.02   3.11) =   0.059%
          HB3   PRO   93 - HA    PHE   60   7.85 +/- 0.37   0.108% *  1.1190% (0.87   0.02   0.02) =   0.001%
          QB    ALA   84 - HA    PHE   60  14.17 +/- 0.31   0.003% *  1.1569% (0.90   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    PHE   60  14.54 +/- 0.46   0.002% *  1.2871% (1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    PHE   60  14.78 +/- 1.10   0.002% *  1.2449% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    PHE   60  14.22 +/- 0.37   0.003% *  0.7824% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   60  12.02 +/- 0.66   0.009% *  0.1990% (0.15   0.02   0.21) =   0.000%
          HB2   LYS+ 112 - HA    PHE   60  12.74 +/- 0.28   0.005% *  0.2872% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   60  13.62 +/- 0.70   0.004% *  0.3981% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    PHE   60  17.70 +/- 1.05   0.001% *  1.0775% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    PHE   60  19.43 +/- 0.58   0.000% *  0.8861% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    PHE   60  17.50 +/- 0.44   0.001% *  0.4400% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    PHE   60  22.54 +/- 0.36   0.000% *  0.3217% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   60  21.37 +/- 0.75   0.000% *  0.2259% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2739 (0.77, 3.74, 54.57 ppm):
    7 chemical-shift based assignments, quality = 0.33, support = 0.0193, residual support = 0.0193:
        T QG2   VAL   18 - HA    ALA   61   4.05 +/- 0.31  97.937% *  7.8238% (0.34   0.02   0.02) =  96.695%  kept
          QD2   LEU   73 - HA    ALA   61   9.86 +/- 0.37   0.506% * 19.8957% (0.87   0.02   0.02) =   1.272%
          QD1   ILE   56 - HA    ALA   61   9.85 +/- 0.15   0.514% * 13.9117% (0.61   0.02   0.02) =   0.903%
          QG2   THR   46 - HA    ALA   61   9.70 +/- 0.81   0.683% *  5.7193% (0.25   0.02   0.02) =   0.493%
          QG1   VAL   43 - HA    ALA   61  10.85 +/- 0.41   0.287% * 12.9856% (0.57   0.02   0.02) =   0.470%
        T QG1   VAL   41 - HA    ALA   61  14.01 +/- 0.25   0.062% * 17.5287% (0.76   0.02   0.02) =   0.137%
          HG    LEU   31 - HA    ALA   61  18.97 +/- 0.88   0.011% * 22.1353% (0.97   0.02   0.02) =   0.031%
    Distance limit 3.26 A violated in 20 structures by 0.79 A, eliminated.
    Peak unassigned.
 
    Peak 2740 (0.42, 3.74, 54.57 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.61, residual support = 7.58:
        T QB    ALA   64 - HA    ALA   61   2.89 +/- 0.17  99.863% * 97.9278% (0.34   2.61   7.58) =  99.998%  kept
          QD1   LEU  115 - HA    ALA   61   8.91 +/- 0.19   0.123% *  1.2461% (0.57   0.02   0.02) =   0.002%
        T QG1   VAL   75 - HA    ALA   61  12.76 +/- 0.69   0.015% *  0.8261% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2741 (6.47, 3.74, 54.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 0.75, residual support = 7.58:
          HN    ALA   64 - HA    ALA   61   3.55 +/- 0.14 100.000% *100.0000% (0.84   0.75   7.58) = 100.000%  kept
    Distance limit 4.45 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 = 2.78, residual support = 18.0:
      O   HN    ALA   61 - HA    ALA   61   2.79 +/- 0.04  99.994% * 92.7228% (0.38   2.78  18.03) = 100.000%  kept
          HN    THR   39 - HA    ALA   61  19.11 +/- 0.53   0.001% *  1.6422% (0.92   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ALA   61  19.18 +/- 0.44   0.001% *  1.4245% (0.80   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ALA   61  19.58 +/- 0.42   0.001% *  1.5955% (0.90   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ALA   61  19.13 +/- 0.45   0.001% *  0.7976% (0.45   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ALA   61  22.80 +/- 0.54   0.000% *  0.9360% (0.53   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ALA   61  18.94 +/- 0.38   0.001% *  0.2745% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    ALA   61  21.79 +/- 0.55   0.000% *  0.6068% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2743 (7.27, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 3.86, residual support = 70.2:
      O   QD    PHE   60 - HB3   PHE   60   2.58 +/- 0.13  95.373% * 98.3868% (0.73   3.86  70.18) =  99.981%  kept
          QE    PHE   59 - HB3   PHE   60   4.74 +/- 0.69   3.373% *  0.4541% (0.65   0.02  15.33) =   0.016%
          HN    PHE   59 - HB3   PHE   60   5.42 +/- 0.19   1.208% *  0.1952% (0.28   0.02  15.33) =   0.003%
          HN    LYS+  66 - HB3   PHE   60   9.24 +/- 0.22   0.046% *  0.7005% (1.00   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PHE   60  18.77 +/- 0.37   0.001% *  0.2635% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 4.64, residual support = 70.2:
      O   HN    PHE   60 - HB3   PHE   60   2.75 +/- 0.16  99.998% * 98.2124% (0.20   4.64  70.18) = 100.000%  kept
          HN    GLU-  15 - HB3   PHE   60  17.76 +/- 0.82   0.002% *  1.7876% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2745 (7.75, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.868, support = 0.02, residual support = 0.02:
          HD1   TRP   87 - HB3   PHE   60  15.85 +/- 0.43  45.968% * 23.9067% (0.95   0.02   0.02) =  54.702%  kept
          HN    THR   39 - HB3   PHE   60  19.29 +/- 0.47  14.156% * 23.3294% (0.92   0.02   0.02) =  16.439%  kept
          HN    LYS+ 102 - HB3   PHE   60  19.54 +/- 0.56  13.165% * 20.2366% (0.80   0.02   0.02) =  13.262%  kept
          HN    TRP   27 - HB3   PHE   60  18.03 +/- 0.45  21.276% *  8.6206% (0.34   0.02   0.02) =   9.130%  kept
          HN    GLU-  36 - HB3   PHE   60  22.63 +/- 0.48   5.435% * 23.9067% (0.95   0.02   0.02) =   6.468%  kept
    Distance limit 4.00 A violated in 20 structures by 9.91 A, eliminated.
    Peak unassigned.
 
    Peak 2746 (4.12, 1.35, 18.25 ppm):
    10 chemical-shift based assignments, quality = 0.329, support = 2.0, residual support = 4.88:
          HA    LYS+  81 - QB    ALA   84   2.26 +/- 0.14  99.985% * 85.9051% (0.33   2.00   4.88) = 100.000%  kept
        T HA    ASN   28 - QB    ALA   84  11.24 +/- 0.35   0.007% *  2.3248% (0.89   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   84  15.45 +/- 0.50   0.001% *  2.1845% (0.84   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   84  15.68 +/- 0.28   0.001% *  2.2586% (0.87   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA   84  15.34 +/- 1.29   0.001% *  1.4258% (0.55   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   84  12.70 +/- 0.23   0.003% *  0.3886% (0.15   0.02   0.02) =   0.000%
        T HA    ALA   34 - QB    ALA   84  17.04 +/- 0.33   0.001% *  1.9246% (0.74   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   84  17.40 +/- 0.29   0.000% *  1.0354% (0.40   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA   84  20.48 +/- 0.36   0.000% *  0.6280% (0.24   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   84  26.25 +/- 0.61   0.000% *  1.9246% (0.74   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2747 (4.31, 1.35, 18.25 ppm):
    9 chemical-shift based assignments, quality = 0.148, support = 2.31, residual support = 20.6:
          HA    SER   85 - QB    ALA   84   3.73 +/- 0.04  57.417% * 80.1619% (0.15   2.33  20.74) =  99.195%  kept
          HB    THR   77 - QB    ALA   84   4.06 +/- 0.55  37.536% *  0.6888% (0.15   0.02   0.02) =   0.557%
          HA    ASP-  86 - QB    ALA   84   6.52 +/- 0.04   2.017% *  3.8724% (0.84   0.02   0.02) =   0.168%
          HA    TRP   87 - QB    ALA   84   6.25 +/- 0.18   2.710% *  1.2412% (0.27   0.02   0.02) =   0.072%
        T HA    ASP-  44 - QB    ALA   84   8.88 +/- 0.20   0.310% *  0.8835% (0.19   0.02   0.02) =   0.006%
          HA    LEU  104 - QB    ALA   84  17.02 +/- 0.34   0.007% *  4.3083% (0.93   0.02   0.02) =   0.001%
          HA    GLU-  14 - QB    ALA   84  21.41 +/- 1.04   0.002% *  4.1210% (0.89   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    ALA   84  25.71 +/- 2.01   0.001% *  3.7289% (0.81   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   84  27.80 +/- 3.55   0.001% *  0.9939% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 13 structures by 0.12 A, eliminated.
    Peak unassigned.
 
    Peak 2748 (7.60, 1.35, 18.25 ppm):
    7 chemical-shift based assignments, quality = 0.298, support = 4.28, residual support = 18.6:
      O   HN    ALA   84 - QB    ALA   84   1.98 +/- 0.06  99.976% * 94.8333% (0.30   4.28  18.63) = 100.000%  kept
          HZ2   TRP   87 - QB    ALA   84   8.53 +/- 0.18   0.016% *  1.0438% (0.70   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    ALA   84  11.56 +/- 0.53   0.003% *  1.2891% (0.87   0.02   0.02) =   0.000%
          QE    PHE   60 - QB    ALA   84  11.22 +/- 0.39   0.003% *  0.2517% (0.17   0.02   0.02) =   0.000%
          HN    ILE   56 - QB    ALA   84  14.34 +/- 0.35   0.001% *  0.9874% (0.66   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QB    ALA   84  13.15 +/- 0.27   0.001% *  0.4437% (0.30   0.02   0.02) =   0.000%
          HN    LEU   63 - QB    ALA   84  16.71 +/- 0.25   0.000% *  1.1510% (0.77   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2750 (8.06, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.773, support = 3.87, residual support = 20.7:
          HN    SER   85 - QB    ALA   84   2.73 +/- 0.10  98.102% * 98.8039% (0.77   3.87  20.74) =  99.996%  kept
          HN    LEU   80 - QB    ALA   84   5.36 +/- 0.34   1.876% *  0.1970% (0.30   0.02   0.02) =   0.004%
          HN    GLN   32 - QB    ALA   84  14.23 +/- 0.35   0.005% *  0.6382% (0.97   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   84  11.97 +/- 0.39   0.014% *  0.0985% (0.15   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    ALA   84  15.61 +/- 0.28   0.003% *  0.2624% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 0.909, support = 0.0194, residual support = 26.6:
          HN    LEU  123 - QB    ALA  120   4.01 +/- 0.10  95.151% * 42.6516% (0.94   0.02  27.43) =  96.975%  kept
          HN    ALA  124 - QB    ALA  120   6.60 +/- 0.13   4.845% * 26.1005% (0.57   0.02   0.02) =   3.021%
          HE21  GLN   17 - QB    ALA  120  21.28 +/- 0.97   0.005% * 31.2479% (0.69   0.02   0.02) =   0.003%
    Distance limit 3.10 A violated in 20 structures by 0.91 A, eliminated.
    Peak unassigned.
 
    Peak 2752 (4.25, 1.48, 18.41 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 1.62, residual support = 5.3:
        T HA    SER  117 - QB    ALA  120   3.21 +/- 0.05  99.974% * 93.7023% (0.54   1.62   5.30) = 100.000%  kept
          HA    ALA   57 - QB    ALA  120  14.94 +/- 0.14   0.010% *  1.9320% (0.89   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA  120  17.10 +/- 0.41   0.004% *  1.1563% (0.54   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA  120  14.90 +/- 0.17   0.010% *  0.3577% (0.17   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    ALA  120  21.29 +/- 0.19   0.001% *  1.4029% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA  120  26.92 +/- 0.28   0.000% *  0.9941% (0.46   0.02   0.02) =   0.000%
        T HB    THR   26 - QB    ALA  120  25.96 +/- 0.55   0.000% *  0.4547% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2753 (7.73, 1.43, 17.92 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.03, residual support = 18.0:
      O   HN    ALA   61 - QB    ALA   61   2.10 +/- 0.06  99.959% * 96.8723% (0.97   4.03  18.03) = 100.000%  kept
          HN    ALA   91 - QB    ALA  110   8.55 +/- 0.35   0.023% *  0.3651% (0.73   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA  110   9.33 +/- 0.28   0.014% *  0.3555% (0.71   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA  110  13.40 +/- 0.30   0.002% *  0.2675% (0.54   0.02   0.02) =   0.000%
          HN    ALA   91 - QB    ALA   61  16.37 +/- 0.36   0.000% *  0.4934% (0.99   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   61  17.53 +/- 0.40   0.000% *  0.4464% (0.90   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   61  17.20 +/- 0.32   0.000% *  0.3614% (0.73   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA  110  14.70 +/- 0.33   0.001% *  0.1024% (0.21   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA  110  19.39 +/- 0.41   0.000% *  0.3303% (0.66   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   61  17.96 +/- 0.44   0.000% *  0.1536% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   61  17.67 +/- 0.36   0.000% *  0.1384% (0.28   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA  110  22.19 +/- 0.29   0.000% *  0.1137% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.16 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   2.06 +/- 0.05  99.946% * 97.0569% (0.87   2.12   9.58) = 100.000%  kept
          HN    PHE   45 - QB    ALA  110   8.17 +/- 0.22   0.026% *  0.6828% (0.65   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA   61   9.03 +/- 0.28   0.014% *  0.2172% (0.21   0.02   0.02) =   0.000%
          HN    PHE   45 - QB    ALA   61  10.57 +/- 0.26   0.006% *  0.5053% (0.48   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA  110  10.53 +/- 0.21   0.006% *  0.2935% (0.28   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   61  12.86 +/- 0.28   0.002% *  0.6775% (0.64   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA   61  20.30 +/- 0.35   0.000% *  0.2411% (0.23   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA  110  21.34 +/- 0.39   0.000% *  0.3258% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2755 (7.86, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 2.79, residual support = 8.32:
          HN    ASP-  62 - QB    ALA   61   2.82 +/- 0.10  94.070% * 96.2308% (1.00   2.79   8.33) =  99.981%  kept
          HN    PHE   55 - QB    ALA  110   4.74 +/- 0.20   4.395% *  0.2295% (0.33   0.02   0.47) =   0.011%
          HN    ARG+  54 - QB    ALA  110   5.77 +/- 0.15   1.312% *  0.4440% (0.64   0.02   0.02) =   0.006%
          HN    ARG+  54 - QB    ALA   61   9.10 +/- 0.19   0.084% *  0.6001% (0.87   0.02   0.02) =   0.001%
          HN    PHE   55 - QB    ALA   61   8.85 +/- 0.18   0.099% *  0.3101% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  62 - QB    ALA  110  10.47 +/- 0.26   0.037% *  0.5108% (0.74   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA   61  17.70 +/- 0.44   0.002% *  0.6781% (0.98   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA  110  20.15 +/- 0.32   0.001% *  0.5018% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA   61  20.19 +/- 0.42   0.001% *  0.2844% (0.41   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA  110  24.01 +/- 0.28   0.000% *  0.2105% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.814, support = 0.0192, residual support = 0.0192:
          HA    LEU  104 - HB2   ASP-  62  19.34 +/- 1.04  39.453% * 28.1529% (1.00   0.02   0.02) =  49.270%  kept
          HA    GLU-  14 - HB2   ASP-  62  19.99 +/- 0.59  32.204% * 21.5631% (0.76   0.02   0.02) =  30.803%  kept
          HA    ALA   12 - HB2   ASP-  62  24.57 +/- 1.98  10.357% * 18.2527% (0.65   0.02   0.02) =   8.386%  kept
          HA    TRP   87 - HB2   ASP-  62  23.14 +/- 0.72  13.136% * 12.6499% (0.45   0.02   0.02) =   7.371%  kept
          HA    ASP-  86 - HB2   ASP-  62  27.32 +/- 0.72   4.850% * 19.3814% (0.69   0.02   0.02) =   4.170%
    Distance limit 3.85 A violated in 20 structures by 12.77 A, eliminated.
    Peak unassigned.
 
    Peak 2757 (4.32, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.813, support = 0.0192, residual support = 0.0192:
          HA    LEU  104 - HB3   ASP-  62  18.55 +/- 0.56  44.358% * 28.1529% (0.98   0.02   0.02) =  54.500%  kept
          HA    GLU-  14 - HB3   ASP-  62  19.97 +/- 0.63  28.445% * 21.5631% (0.75   0.02   0.02) =  26.769%  kept
          HA    ALA   12 - HB3   ASP-  62  24.51 +/- 2.03   9.604% * 18.2527% (0.63   0.02   0.02) =   7.650%  kept
          HA    TRP   87 - HB3   ASP-  62  22.76 +/- 0.52  12.935% * 12.6499% (0.44   0.02   0.02) =   7.141%  kept
        T HA    ASP-  86 - HB3   ASP-  62  26.99 +/- 0.49   4.659% * 19.3814% (0.67   0.02   0.02) =   3.940%
    Distance limit 3.56 A violated in 20 structures by 12.74 A, eliminated.
    Peak unassigned.
 
    Peak 2758 (6.93, 4.22, 57.45 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 1.01, residual support = 3.71:
          HN    LYS+  65 - HA    ASP-  62   3.39 +/- 0.14 100.000% *100.0000% (0.15   1.01   3.71) = 100.000%  kept
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2759 (7.86, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 3.84, residual support = 41.0:
      O   HN    ASP-  62 - HA    ASP-  62   2.82 +/- 0.00  99.986% * 98.6060% (1.00   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HA    ASP-  62  14.61 +/- 0.16   0.005% *  0.4467% (0.87   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ASP-  62  13.56 +/- 0.14   0.008% *  0.2309% (0.45   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ASP-  62  22.11 +/- 0.45   0.000% *  0.5048% (0.98   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ASP-  62  23.00 +/- 0.52   0.000% *  0.2117% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 5.14, residual support = 41.7:
          HN    LEU   63 - HB2   ASP-  62   3.37 +/- 0.54  99.796% * 98.6870% (0.97   5.14  41.72) =  99.999%  kept
          HN    ILE   56 - HB2   ASP-  62  10.20 +/- 0.38   0.177% *  0.3571% (0.90   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HB2   ASP-  62  13.80 +/- 0.68   0.025% *  0.2095% (0.53   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASP-  62  22.25 +/- 0.75   0.001% *  0.1938% (0.49   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   ASP-  62  23.80 +/- 0.64   0.001% *  0.2095% (0.53   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   ASP-  62  28.81 +/- 0.70   0.000% *  0.2735% (0.69   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   ASP-  62  29.91 +/- 1.07   0.000% *  0.0697% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2761 (7.87, 2.65, 41.28 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 3.84, residual support = 41.0:
      O   HN    ASP-  62 - HB2   ASP-  62   2.41 +/- 0.26  99.996% * 98.1834% (0.69   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HB2   ASP-  62  13.23 +/- 0.44   0.004% *  0.7188% (0.97   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ASP-  62  24.10 +/- 0.92   0.000% *  0.6461% (0.87   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ASP-  62  22.96 +/- 0.72   0.000% *  0.4517% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2762 (7.60, 2.45, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 5.14, residual support = 41.7:
          HN    LEU   63 - HB3   ASP-  62   2.96 +/- 0.39  99.919% * 98.6870% (0.95   5.14  41.72) = 100.000%  kept
          HN    ILE   56 - HB3   ASP-  62  10.51 +/- 0.51   0.066% *  0.3571% (0.88   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB3   ASP-  62  13.59 +/- 0.37   0.013% *  0.2095% (0.52   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   ASP-  62  21.80 +/- 0.52   0.001% *  0.1938% (0.48   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   ASP-  62  23.64 +/- 0.54   0.000% *  0.2095% (0.52   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   ASP-  62  28.50 +/- 0.66   0.000% *  0.2735% (0.67   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   ASP-  62  29.45 +/- 1.02   0.000% *  0.0697% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2763 (7.86, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.978, support = 3.84, residual support = 41.0:
      O   HN    ASP-  62 - HB3   ASP-  62   2.66 +/- 0.40  99.981% * 98.6060% (0.98   3.84  41.03) = 100.000%  kept
          HN    PHE   55 - HB3   ASP-  62  12.23 +/- 0.52   0.012% *  0.2309% (0.44   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB3   ASP-  62  13.68 +/- 0.54   0.006% *  0.4467% (0.85   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ASP-  62  22.58 +/- 0.50   0.000% *  0.5048% (0.96   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ASP-  62  23.48 +/- 0.65   0.000% *  0.2117% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2764 (1.82, 3.50, 57.67 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.32, residual support = 6.05:
          QB    LYS+  66 - HA    LEU   63   2.32 +/- 0.19  99.160% * 95.4042% (1.00   2.32   6.05) =  99.996%  kept
          QB    LYS+  65 - HA    LEU   63   5.24 +/- 0.10   0.799% *  0.4655% (0.57   0.02   1.35) =   0.004%
          HG    LEU  123 - HA    LEU   63   9.32 +/- 0.75   0.031% *  0.4655% (0.57   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU   63  13.84 +/- 0.33   0.002% *  0.7778% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LEU   63  12.82 +/- 0.32   0.004% *  0.4326% (0.53   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   63  14.06 +/- 0.47   0.002% *  0.7374% (0.90   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   63  17.11 +/- 0.63   0.001% *  0.6868% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   63  17.38 +/- 0.49   0.001% *  0.5648% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU   63  18.27 +/- 0.39   0.000% *  0.4655% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2765 (7.29, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 1.6, residual support = 6.05:
          HN    LYS+  66 - HA    LEU   63   3.19 +/- 0.14  93.435% * 95.3712% (0.53   1.60   6.05) =  99.947%  kept
          QD    PHE   60 - HA    LEU   63   6.55 +/- 0.42   1.447% *  2.1830% (0.97   0.02  11.48) =   0.035%
          QE    PHE   59 - HA    LEU   63   5.42 +/- 0.53   5.118% *  0.3061% (0.14   0.02   0.42) =   0.018%
          HN    LYS+  81 - HA    LEU   63  24.89 +/- 0.47   0.000% *  2.1397% (0.95   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2766 (7.59, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.54, residual support = 235.7:
      O   HN    LEU   63 - HA    LEU   63   2.81 +/- 0.03  99.982% * 99.0656% (1.00   7.54 235.72) = 100.000%  kept
          HN    ILE   56 - HA    LEU   63  12.95 +/- 0.18   0.011% *  0.2611% (0.99   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    LEU   63  14.24 +/- 0.37   0.006% *  0.1913% (0.73   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    LEU   63  18.94 +/- 0.41   0.001% *  0.0813% (0.31   0.02   0.02) =   0.000%
          HN    ALA   84 - HA    LEU   63  22.14 +/- 0.48   0.000% *  0.1913% (0.73   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    LEU   63  25.71 +/- 0.51   0.000% *  0.1282% (0.49   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    LEU   63  25.91 +/- 0.91   0.000% *  0.0813% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2767 (3.93, 1.34, 41.55 ppm):
    10 chemical-shift based assignments, quality = 0.487, support = 1.5, residual support = 11.5:
        T HA    PHE   60 - HB2   LEU   63   2.43 +/- 0.25  99.830% * 86.6046% (0.49   1.50  11.48) =  99.998%  kept
          HA    LYS+  65 - HB2   LEU   63   7.65 +/- 0.13   0.124% *  0.4155% (0.18   0.02   1.35) =   0.001%
          HA    LYS+ 121 - HB2   LEU   63  11.64 +/- 0.39   0.010% *  2.1899% (0.92   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   LEU   63  11.79 +/- 0.31   0.009% *  2.3253% (0.98   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   LEU   63  11.10 +/- 0.44   0.014% *  1.2481% (0.53   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU   63  12.69 +/- 0.25   0.006% *  2.0578% (0.87   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU   63  12.69 +/- 0.53   0.006% *  0.5282% (0.22   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU   63  17.45 +/- 0.21   0.001% *  2.2894% (0.97   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU   63  18.54 +/- 0.43   0.001% *  1.8130% (0.76   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU   63  20.91 +/- 0.45   0.000% *  0.5282% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2768 (6.48, 1.34, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 7.27, residual support = 55.1:
          HN    ALA   64 - HB2   LEU   63   2.77 +/- 0.19 100.000% *100.0000% (0.57   7.27  55.11) = 100.000%  kept
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2769 (6.99, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 2.5, residual support = 18.8:
          QE    PHE   72 - HB2   LEU   63   2.65 +/- 0.66  99.991% * 99.3100% (0.99   2.50  18.81) = 100.000%  kept
          HN    ALA   47 - HB2   LEU   63  14.26 +/- 0.38   0.009% *  0.3600% (0.45   0.02   0.02) =   0.000%
          HD22  ASN   28 - HB2   LEU   63  23.58 +/- 0.81   0.000% *  0.3301% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2770 (7.59, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.99, residual support = 235.7:
      O   HN    LEU   63 - HB2   LEU   63   2.16 +/- 0.09  99.989% * 99.1182% (1.00   7.99 235.72) = 100.000%  kept
          HN    ILE   56 - HB2   LEU   63  10.72 +/- 0.30   0.007% *  0.2464% (0.99   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB2   LEU   63  12.18 +/- 0.39   0.003% *  0.1805% (0.73   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LEU   63  19.52 +/- 0.58   0.000% *  0.1805% (0.73   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   LEU   63  17.08 +/- 0.50   0.000% *  0.0767% (0.31   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LEU   63  23.91 +/- 0.73   0.000% *  0.1210% (0.49   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LEU   63  25.01 +/- 1.06   0.000% *  0.0767% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2771 (7.84, 1.34, 41.55 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 4.54, residual support = 41.7:
          HN    ASP-  62 - HB2   LEU   63   4.34 +/- 0.08  99.722% * 98.5503% (0.76   4.54  41.72) =  99.999%  kept
          HN    PHE   55 - HB2   LEU   63  12.84 +/- 0.30   0.149% *  0.5090% (0.90   0.02   0.02) =   0.001%
          HN    ARG+  54 - HB2   LEU   63  13.75 +/- 0.23   0.099% *  0.2333% (0.41   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   LEU   63  18.04 +/- 0.62   0.020% *  0.4740% (0.84   0.02   0.02) =   0.000%
          HN    ALA   88 - HB2   LEU   63  20.14 +/- 0.43   0.010% *  0.2333% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2772 (6.48, 0.88, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.86, residual support = 55.1:
          HN    ALA   64 - HB3   LEU   63   3.54 +/- 0.39 100.000% *100.0000% (0.57   6.86  55.11) = 100.000%  kept
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2773 (6.72, 0.88, 41.55 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.3, residual support = 18.8:
        T HZ    PHE   72 - HB3   LEU   63   2.87 +/- 0.89  99.990% * 99.8922% (0.87   3.30  18.81) = 100.000%  kept
          HZ2   TRP   27 - HB3   LEU   63  15.15 +/- 0.97   0.010% *  0.1078% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2774 (7.59, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.61, residual support = 235.7:
      O   HN    LEU   63 - HB3   LEU   63   3.39 +/- 0.15  99.907% * 99.0737% (1.00   7.61 235.72) = 100.000%  kept
          HN    ILE   56 - HB3   LEU   63  12.23 +/- 0.43   0.046% *  0.2588% (0.99   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB3   LEU   63  12.85 +/- 0.53   0.034% *  0.1896% (0.73   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   LEU   63  16.70 +/- 0.84   0.008% *  0.0806% (0.31   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LEU   63  19.91 +/- 0.86   0.003% *  0.1896% (0.73   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   LEU   63  23.70 +/- 1.14   0.001% *  0.1271% (0.49   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LEU   63  24.32 +/- 1.29   0.001% *  0.0806% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2775 (7.60, 1.06, 26.21 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 7.57, residual support = 235.7:
          HN    LEU   63 - HG    LEU   63   3.12 +/- 0.52  97.697% * 98.9444% (0.76   7.58 235.72) =  99.998%  kept
          QE    PHE   60 - HG    LEU   63   7.27 +/- 1.03   2.218% *  0.0676% (0.20   0.02  11.48) =   0.002%
          HN    ILE   56 - HG    LEU   63  11.42 +/- 0.85   0.044% *  0.2211% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG    LEU   63  12.13 +/- 0.87   0.032% *  0.0950% (0.28   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG    LEU   63  17.70 +/- 0.98   0.006% *  0.2612% (0.76   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG    LEU   63  24.87 +/- 1.19   0.001% *  0.3155% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - HG    LEU   63  20.56 +/- 0.81   0.002% *  0.0950% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2776 (3.94, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.135, support = 3.22, residual support = 11.5:
        T HA    PHE   60 - QD1   LEU   63   2.56 +/- 0.49  98.936% * 57.2606% (0.14   3.22  11.48) =  99.965%  kept
          HA    LYS+ 121 - QD1   LEU   63   8.59 +/- 0.75   0.221% *  2.4273% (0.92   0.02   0.02) =   0.009%
          HA    ALA  120 - QD1   LEU   63   8.64 +/- 0.78   0.191% *  2.4873% (0.95   0.02   0.02) =   0.008%
          QB    SER  117 - QD1   LEU   63   8.23 +/- 0.62   0.203% *  1.5948% (0.61   0.02   0.02) =   0.006%
          HA    LYS+  65 - QD1   LEU   63   8.31 +/- 0.41   0.125% *  1.4887% (0.57   0.02   1.35) =   0.003%
          HB    THR   94 - QD1   LEU   63   9.27 +/- 0.25   0.067% *  2.5376% (0.97   0.02   0.02) =   0.003%
          HB    THR   94 - QD1   LEU   73  11.33 +/- 0.39   0.022% *  2.5376% (0.97   0.02   0.02) =   0.001%
          HA    LYS+ 121 - QD1   LEU  104   9.05 +/- 0.82   0.088% *  0.5941% (0.23   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD1   LEU   73  12.05 +/- 0.42   0.015% *  1.7010% (0.65   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU   73  12.26 +/- 0.36   0.013% *  1.7010% (0.65   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU   63  12.25 +/- 0.73   0.012% *  1.7010% (0.65   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU   73  12.92 +/- 0.27   0.010% *  1.4887% (0.57   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU   73  14.39 +/- 0.29   0.005% *  2.6236% (1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   63  14.57 +/- 0.41   0.004% *  2.2808% (0.87   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU   63  15.23 +/- 0.49   0.003% *  2.6236% (1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU  104  11.41 +/- 0.35   0.021% *  0.3904% (0.15   0.02   0.02) =   0.000%
        T HA    PHE   60 - QD1   LEU   73  11.65 +/- 0.31   0.021% *  0.3559% (0.14   0.02   0.21) =   0.000%
          HA    ALA  120 - QD1   LEU  104  12.66 +/- 0.85   0.011% *  0.6088% (0.23   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD1   LEU   73  17.80 +/- 0.45   0.002% *  2.4273% (0.92   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU   63  16.48 +/- 0.34   0.002% *  1.7010% (0.65   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  104  14.51 +/- 0.49   0.006% *  0.6211% (0.24   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU   73  17.35 +/- 0.37   0.002% *  1.5948% (0.61   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   73  19.00 +/- 0.33   0.001% *  2.2808% (0.87   0.02   0.02) =   0.000%
          HA    ALA  120 - QD1   LEU   73  19.45 +/- 0.42   0.001% *  2.4873% (0.95   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU  104  14.79 +/- 0.93   0.005% *  0.3644% (0.14   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU  104  15.93 +/- 0.99   0.003% *  0.4164% (0.16   0.02   0.02) =   0.000%
        T HA    PHE   60 - QD1   LEU  104  13.17 +/- 0.69   0.009% *  0.0871% (0.03   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  104  18.06 +/- 0.80   0.002% *  0.4164% (0.16   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  104  21.71 +/- 0.55   0.000% *  0.6422% (0.24   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  104  24.40 +/- 0.44   0.000% *  0.5583% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2777 (6.37, 0.58, 26.34 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 1.84, residual support = 12.7:
        T HZ3   TRP   27 - QD1   LEU   73   2.27 +/- 0.29  99.811% * 95.2470% (0.49   1.84  12.74) =  99.997%  kept
          HZ    PHE   45 - QD1   LEU   73   7.11 +/- 0.42   0.156% *  1.5436% (0.73   0.02   0.02) =   0.003%
        T HZ3   TRP   27 - QD1   LEU   63  10.41 +/- 0.67   0.016% *  1.0347% (0.49   0.02   0.02) =   0.000%
          HZ    PHE   45 - QD1   LEU   63  11.42 +/- 0.48   0.008% *  1.5436% (0.73   0.02   0.02) =   0.000%
        T HZ3   TRP   27 - QD1   LEU  104  11.87 +/- 0.90   0.007% *  0.2533% (0.12   0.02   0.02) =   0.000%
          HZ    PHE   45 - QD1   LEU  104  13.80 +/- 0.67   0.003% *  0.3778% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2778 (7.28, 0.58, 26.34 ppm):
    15 chemical-shift based assignments, quality = 0.67, support = 1.02, residual support = 5.76:
          QE    PHE   59 - QD1   LEU   63   2.48 +/- 0.39  82.980% * 16.1416% (0.49   0.56   0.42) =  51.726%  kept
          QD    PHE   60 - QD1   LEU   63   3.83 +/- 0.67  16.125% * 77.4886% (0.87   1.51  11.48) =  48.253%  kept
          HN    LYS+  66 - QD1   LEU   63   6.18 +/- 0.16   0.365% *  1.1193% (0.95   0.02   6.05) =   0.016%
          HN    PHE   59 - QD1   LEU   63   5.94 +/- 0.49   0.456% *  0.2072% (0.18   0.02   0.42) =   0.004%
          QD    PHE   60 - QD1   LEU   73   9.14 +/- 0.27   0.033% *  1.0264% (0.87   0.02   0.21) =   0.001%
          HN    LYS+  81 - QD1   LEU   73  11.76 +/- 0.39   0.007% *  0.6225% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD1   LEU   73  13.34 +/- 0.21   0.003% *  1.1193% (0.95   0.02   0.02) =   0.000%
          QE    PHE   59 - QD1   LEU   73  12.02 +/- 0.42   0.006% *  0.5759% (0.49   0.02   0.02) =   0.000%
          QE    PHE   59 - QD1   LEU  104  10.63 +/- 0.50   0.013% *  0.1410% (0.12   0.02   0.02) =   0.000%
          QD    PHE   60 - QD1   LEU  104  12.58 +/- 0.71   0.005% *  0.2512% (0.21   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD1   LEU  104  13.07 +/- 0.99   0.004% *  0.2740% (0.23   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU   63  17.96 +/- 0.50   0.001% *  0.6225% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU   73  15.75 +/- 0.34   0.001% *  0.2072% (0.18   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU  104  16.80 +/- 0.65   0.001% *  0.0507% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  104  21.43 +/- 0.76   0.000% *  0.1524% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2779 (7.60, 0.58, 26.34 ppm):
    21 chemical-shift based assignments, quality = 0.764, support = 6.57, residual support = 235.7:
          HN    LEU   63 - QD1   LEU   63   3.63 +/- 0.14  85.191% * 96.9567% (0.76   6.57 235.72) =  99.978%  kept
          QE    PHE   60 - QD1   LEU   63   5.49 +/- 0.74   9.979% *  0.0764% (0.20   0.02  11.48) =   0.009%
          HZ2   TRP   87 - QD1   LEU   73   6.92 +/- 0.44   1.962% *  0.2950% (0.76   0.02   0.02) =   0.007%
          HD21  ASN   28 - QD1   LEU   73   8.82 +/- 0.33   0.439% *  0.3563% (0.92   0.02   0.12) =   0.002%
          HN    ILE   56 - QD1   LEU   63   8.77 +/- 0.39   0.440% *  0.2497% (0.65   0.02   0.02) =   0.001%
          QE    PHE   60 - QD1   LEU   73   7.83 +/- 0.40   0.914% *  0.0764% (0.20   0.02   0.21) =   0.001%
          HN    LYS+ 111 - QD1   LEU   63   8.62 +/- 0.42   0.514% *  0.1073% (0.28   0.02   0.02) =   0.001%
          HN    ALA   84 - QD1   LEU   73   9.81 +/- 0.38   0.226% *  0.1073% (0.28   0.02   0.02) =   0.000%
          HN    LEU   63 - QD1   LEU   73  12.95 +/- 0.32   0.043% *  0.2950% (0.76   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU   63  13.15 +/- 0.48   0.040% *  0.2950% (0.76   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU  104  11.48 +/- 0.81   0.100% *  0.0722% (0.19   0.02   0.02) =   0.000%
          HN    LEU   63 - QD1   LEU  104  13.33 +/- 0.84   0.038% *  0.0722% (0.19   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU   73  16.53 +/- 0.34   0.010% *  0.2497% (0.65   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   63  15.46 +/- 0.48   0.015% *  0.1073% (0.28   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU   63  19.45 +/- 0.56   0.004% *  0.3563% (0.92   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   73  16.67 +/- 0.34   0.009% *  0.1073% (0.28   0.02   0.02) =   0.000%
          QE    PHE   60 - QD1   LEU  104  12.95 +/- 0.96   0.046% *  0.0187% (0.05   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU  104  17.73 +/- 0.86   0.007% *  0.0872% (0.23   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU  104  15.95 +/- 0.22   0.012% *  0.0263% (0.07   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU  104  19.15 +/- 0.46   0.004% *  0.0611% (0.16   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU  104  17.93 +/- 0.77   0.006% *  0.0263% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2782 (6.47, 2.84, 53.98 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.22, residual support = 20.8:
      O   HN    ALA   64 - HA    ALA   64   2.80 +/- 0.04 100.000% *100.0000% (0.97   4.22  20.77) = 100.000%  kept
    Distance limit 3.90 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 = 0.754, support = 2.91, residual support = 40.1:
        T QD    PHE   72 - HA    ALA   64   3.16 +/- 0.17  51.008% * 61.3271% (0.87   2.96  40.06) =  62.485%  kept
        T HZ    PHE   72 - HA    ALA   64   3.19 +/- 0.25  48.981% * 38.3444% (0.57   2.83  40.06) =  37.515%  kept
          QE    PHE   45 - HA    ALA   64  12.98 +/- 0.35   0.010% *  0.3285% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2785 (7.34, 2.84, 53.98 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 0.967, residual support = 3.86:
          HN    LEU   67 - HA    ALA   64   3.31 +/- 0.12  99.585% * 91.1217% (0.87   0.97   3.86) =  99.991%  kept
          QE    PHE   95 - HA    ALA   64   8.58 +/- 0.51   0.369% *  2.1299% (0.98   0.02   0.02) =   0.009%
          HE3   TRP   27 - HA    ALA   64  13.50 +/- 0.32   0.022% *  1.2302% (0.57   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    ALA   64  15.94 +/- 0.41   0.008% *  1.4057% (0.65   0.02   0.02) =   0.000%
          HN    THR   23 - HA    ALA   64  17.73 +/- 0.24   0.004% *  2.1537% (0.99   0.02   0.02) =   0.000%
          HD2   HIS   22 - HA    ALA   64  15.67 +/- 0.77   0.010% *  0.8155% (0.38   0.02   0.02) =   0.000%
          HD1   TRP   49 - HA    ALA   64  21.76 +/- 0.49   0.001% *  1.1432% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 0.835, support = 1.74, residual support = 7.96:
          QG2   VAL   18 - QB    ALA   64   2.35 +/- 0.54  98.798% * 94.2833% (0.84   1.74   7.96) =  99.991%  kept
          QD2   LEU   73 - QB    ALA   64   6.04 +/- 0.20   0.694% *  0.4878% (0.38   0.02   0.30) =   0.004%
          QG1   VAL   43 - QB    ALA   64   7.42 +/- 0.42   0.193% *  1.2739% (0.98   0.02   0.02) =   0.003%
          QG2   THR   46 - QB    ALA   64   8.67 +/- 0.63   0.084% *  0.9437% (0.73   0.02   0.02) =   0.001%
          QD1   ILE   19 - QB    ALA   64   7.91 +/- 0.26   0.127% *  0.4878% (0.38   0.02   0.02) =   0.001%
          QG1   VAL   41 - QB    ALA   64   9.36 +/- 0.13   0.047% *  1.2881% (0.99   0.02   0.02) =   0.001%
          QD1   ILE   56 - QB    ALA   64   9.59 +/- 0.27   0.040% *  0.2276% (0.18   0.02   0.02) =   0.000%
          HG    LEU   31 - QB    ALA   64  13.45 +/- 0.77   0.007% *  0.6838% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  104 - QB    ALA   64  12.30 +/- 0.51   0.009% *  0.3241% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2787 (1.44, 0.40, 18.57 ppm):
    13 chemical-shift based assignments, quality = 0.94, support = 1.23, residual support = 6.79:
          QB    ALA   61 - QB    ALA   64   4.11 +/- 0.14  67.723% * 30.8455% (0.92   1.22   7.58) =  73.543%  kept
          HB3   LEU   67 - QB    ALA   64   5.47 +/- 0.63  16.207% * 34.4104% (0.99   1.27   3.86) =  19.634%  kept
          QG    LYS+  66 - QB    ALA   64   6.24 +/- 0.43   6.005% * 31.8967% (0.98   1.19   6.73) =   6.743%  kept
          HG    LEU   67 - QB    ALA   64   6.34 +/- 0.64   6.193% *  0.1522% (0.28   0.02   3.86) =   0.033%
          HG12  ILE   19 - QB    ALA   64   7.79 +/- 0.45   1.540% *  0.3541% (0.65   0.02   0.02) =   0.019%
          HG    LEU   73 - QB    ALA   64   8.34 +/- 0.35   1.002% *  0.4749% (0.87   0.02   0.30) =   0.017%
          HG    LEU   40 - QB    ALA   64   9.04 +/- 1.01   0.727% *  0.2055% (0.38   0.02   0.02) =   0.005%
          QB    ALA  110 - QB    ALA   64  10.91 +/- 0.37   0.194% *  0.3975% (0.73   0.02   0.02) =   0.003%
          HB3   LEU  115 - QB    ALA   64  10.52 +/- 0.59   0.252% *  0.2055% (0.38   0.02   0.02) =   0.002%
          HG    LEU   80 - QB    ALA   64  14.71 +/- 0.91   0.034% *  0.4184% (0.76   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QB    ALA   64  12.59 +/- 0.54   0.084% *  0.0845% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QB    ALA   64  17.81 +/- 1.03   0.011% *  0.4184% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   64  15.14 +/- 0.90   0.029% *  0.1365% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 0.916, support = 1.87, residual support = 3.86:
          HB3   LEU   67 - HA    ALA   64   4.12 +/- 0.76  63.871% * 73.9622% (0.99   1.87   3.86) =  89.537%  kept
          HG    LEU   67 - HA    ALA   64   5.22 +/- 0.67  26.473% * 20.5978% (0.28   1.86   3.86) =  10.335%  kept
          QG    LYS+  66 - HA    ALA   64   6.55 +/- 0.36   4.013% *  0.7811% (0.98   0.02   6.73) =   0.059%
          QB    ALA   61 - HA    ALA   64   6.63 +/- 0.11   3.912% *  0.7356% (0.92   0.02   7.58) =   0.055%
          HG    LEU   40 - HA    ALA   64   8.92 +/- 1.10   0.875% *  0.2991% (0.38   0.02   0.02) =   0.005%
          HG    LEU   73 - HA    ALA   64  10.15 +/- 0.46   0.305% *  0.6912% (0.87   0.02   0.30) =   0.004%
          HG12  ILE   19 - HA    ALA   64  10.04 +/- 0.58   0.329% *  0.5155% (0.65   0.02   0.02) =   0.003%
          HB3   LEU  115 - HA    ALA   64  12.52 +/- 0.76   0.093% *  0.2991% (0.38   0.02   0.02) =   0.001%
          QB    ALA  110 - HA    ALA   64  13.88 +/- 0.42   0.045% *  0.5787% (0.73   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   64  13.21 +/- 0.74   0.062% *  0.1230% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   64  18.61 +/- 1.07   0.008% *  0.6090% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   64  19.70 +/- 1.25   0.006% *  0.6090% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   64  19.08 +/- 1.03   0.007% *  0.1987% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2789 (2.28, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 2.78, residual support = 40.0:
        T HB3   PHE   72 - QB    ALA   64   3.09 +/- 0.35  95.622% * 95.5720% (0.76   2.78  40.06) =  99.963%  kept
          HB2   ASP-  44 - QB    ALA   64   5.51 +/- 0.40   3.779% *  0.7801% (0.87   0.02   0.02) =   0.032%
          QG    GLU-  15 - QB    ALA   64   8.15 +/- 0.65   0.374% *  0.8507% (0.95   0.02   0.02) =   0.003%
          QG    GLU-  14 - QB    ALA   64  10.26 +/- 0.87   0.106% *  0.7512% (0.84   0.02   0.02) =   0.001%
          HG12  ILE  119 - QB    ALA   64  10.20 +/- 0.49   0.091% *  0.3068% (0.34   0.02   0.02) =   0.000%
          QB    MET   11 - QB    ALA   64  15.64 +/- 1.72   0.010% *  0.8065% (0.90   0.02   0.02) =   0.000%
          QG    GLN   90 - QB    ALA   64  15.46 +/- 0.50   0.007% *  0.6177% (0.69   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    ALA   64  15.27 +/- 0.70   0.008% *  0.1575% (0.18   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    ALA   64  17.61 +/- 1.13   0.004% *  0.1575% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2790 (3.74, 0.40, 18.57 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 2.61, residual support = 7.58:
        T HA    ALA   61 - QB    ALA   64   2.89 +/- 0.17  99.450% * 98.5931% (1.00   2.61   7.58) =  99.997%  kept
          HD2   PRO   68 - QB    ALA   64   7.37 +/- 0.28   0.411% *  0.6993% (0.92   0.02   0.02) =   0.003%
          HD3   PRO   58 - QB    ALA   64   9.23 +/- 0.22   0.096% *  0.3688% (0.49   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   64  10.78 +/- 0.17   0.039% *  0.1889% (0.25   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   64  15.38 +/- 0.26   0.005% *  0.1499% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2791 (3.99, 0.40, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 1.74, residual support = 7.96:
          HA    VAL   18 - QB    ALA   64   3.73 +/- 0.07  98.347% * 92.4906% (0.90   1.74   7.96) =  99.991%  kept
          HA    VAL   70 - QB    ALA   64   7.55 +/- 0.19   1.461% *  0.4882% (0.41   0.02   0.02) =   0.008%
          HA    GLN  116 - QB    ALA   64  12.35 +/- 0.31   0.076% *  0.4882% (0.41   0.02   0.02) =   0.000%
          HA    SER   48 - QB    ALA   64  15.37 +/- 0.44   0.020% *  1.1232% (0.95   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA   64  14.19 +/- 0.34   0.033% *  0.6247% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   64  15.06 +/- 0.43   0.023% *  0.8622% (0.73   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   64  16.25 +/- 0.33   0.015% *  1.0300% (0.87   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   64  16.38 +/- 0.44   0.014% *  0.8622% (0.73   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    ALA   64  18.62 +/- 0.32   0.006% *  0.9074% (0.76   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    ALA   64  19.85 +/- 0.59   0.004% *  1.1232% (0.95   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2792 (4.44, 0.40, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.486, support = 1.22, residual support = 1.22:
        T HA    GLN   17 - QB    ALA   64   3.95 +/- 0.12  97.571% * 89.6801% (0.49   1.22   1.22) =  99.927%  kept
        T HA    VAL   42 - QB    ALA   64   7.66 +/- 0.18   1.899% *  2.9517% (0.98   0.02   0.02) =   0.064%
          HA    THR   46 - QB    ALA   64  10.76 +/- 0.40   0.250% *  1.2380% (0.41   0.02   0.02) =   0.004%
        T HA    PHE   55 - QB    ALA   64  12.32 +/- 0.23   0.109% *  2.0685% (0.69   0.02   0.02) =   0.003%
          HA    ALA  110 - QB    ALA   64  12.18 +/- 0.39   0.119% *  1.1302% (0.38   0.02   0.02) =   0.002%
          HA    SER   37 - QB    ALA   64  15.32 +/- 0.65   0.030% *  1.4658% (0.49   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   64  16.27 +/- 0.72   0.021% *  1.4658% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2793 (8.27, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 2.25, residual support = 7.96:
          HN    VAL   18 - QB    ALA   64   3.81 +/- 0.12  99.923% * 99.5979% (1.00   2.25   7.96) = 100.000%  kept
          HN    SER   13 - QB    ALA   64  13.81 +/- 1.25   0.055% *  0.2467% (0.28   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    ALA   64  15.54 +/- 0.31   0.022% *  0.1554% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2795 (6.70, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 4.86, residual support = 40.1:
        T QD    PHE   72 - QB    ALA   64   2.08 +/- 0.28  98.291% * 99.4093% (0.87   4.86  40.06) =  99.995%  kept
          HZ    PHE   72 - QB    ALA   64   4.28 +/- 0.26   1.701% *  0.2669% (0.57   0.02  40.06) =   0.005%
          QE    PHE   45 - QB    ALA   64  10.55 +/- 0.29   0.008% *  0.3238% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2796 (6.48, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 4.22, residual support = 20.8:
      O   HN    ALA   64 - QB    ALA   64   2.08 +/- 0.06 100.000% *100.0000% (0.57   4.22  20.77) = 100.000%  kept
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2797 (6.92, 3.96, 58.29 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.08, residual support = 161.2:
      O   HN    LYS+  65 - HA    LYS+  65   2.85 +/- 0.03  99.994% * 99.9629% (0.71   6.08 161.19) = 100.000%  kept
          HN    LYS+  65 - HA    LYS+ 121  14.34 +/- 0.48   0.006% *  0.0371% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.841, support = 0.0193, residual support = 0.0193:
          HN    GLY   16 - HA    LYS+  65   7.51 +/- 0.63  72.420% * 34.8898% (0.87   0.02   0.02) =  96.298%  kept
          HN    SER  117 - HA    LYS+ 121   8.91 +/- 0.18  26.962% *  3.1809% (0.08   0.02   0.02) =   3.269%
          HN    SER  117 - HA    LYS+  65  18.54 +/- 0.44   0.339% * 28.1870% (0.71   0.02   0.02) =   0.364%
          HN    GLY   16 - HA    LYS+ 121  19.69 +/- 0.68   0.230% *  3.9373% (0.10   0.02   0.02) =   0.035%
          HN    SER   82 - HA    LYS+  65  27.23 +/- 0.57   0.033% * 26.7825% (0.67   0.02   0.02) =   0.034%
          HN    SER   82 - HA    LYS+ 121  30.73 +/- 0.50   0.016% *  3.0224% (0.08   0.02   0.02) =   0.002%
    Distance limit 3.82 A violated in 20 structures by 3.69 A, eliminated.
    Peak unassigned.
 
    Peak 2799 (6.93, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 4.73, residual support = 28.0:
          HN    LYS+  65 - QB    ALA   64   2.70 +/- 0.14 100.000% *100.0000% (0.31   4.73  28.02) = 100.000%  kept
    Distance limit 3.66 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 = 4.05, residual support = 40.1:
          QE    PHE   72 - HA    ALA   64   2.76 +/- 0.15 100.000% * 99.3417% (0.65   4.05  40.06) = 100.000%  kept
          HD22  ASN   28 - HA    ALA   64  22.22 +/- 0.52   0.000% *  0.6583% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 1.69, residual support = 3.71:
          HA    ASP-  62 - QB    LYS+  65   2.41 +/- 0.19  99.998% * 97.6999% (0.80   1.69   3.71) = 100.000%  kept
          HA    SER  117 - QB    LYS+  65  15.58 +/- 0.51   0.001% *  0.3221% (0.22   0.02   0.02) =   0.000%
          HB    THR   26 - QB    LYS+  65  19.81 +/- 0.69   0.000% *  0.8190% (0.57   0.02   0.02) =   0.000%
          HA    SER   82 - QB    LYS+  65  26.44 +/- 0.37   0.000% *  0.9358% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  25 - QB    LYS+  65  24.05 +/- 0.44   0.000% *  0.2232% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2802 (6.92, 1.80, 33.13 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 6.6, residual support = 161.2:
      O   HN    LYS+  65 - QB    LYS+  65   2.16 +/- 0.07 100.000% *100.0000% (0.76   6.60 161.19) = 100.000%  kept
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2803 (7.29, 1.80, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.96, residual support = 26.3:
          HN    LYS+  66 - QB    LYS+  65   2.96 +/- 0.08  99.298% * 98.7125% (0.53   5.96  26.31) =  99.996%  kept
          QD    PHE   60 - QB    LYS+  65   7.05 +/- 0.20   0.565% *  0.6072% (0.97   0.02   0.02) =   0.003%
          QE    PHE   59 - QB    LYS+  65   8.92 +/- 0.25   0.137% *  0.0851% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  65  23.83 +/- 0.35   0.000% *  0.5952% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2804 (6.93, 1.50, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 5.41, residual support = 161.2:
          HN    LYS+  65 - HG2   LYS+  65   3.39 +/- 0.24 100.000% *100.0000% (0.31   5.41 161.19) = 100.000%  kept
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2805 (3.97, 1.38, 25.13 ppm):
    44 chemical-shift based assignments, quality = 0.867, support = 5.27, residual support = 161.2:
      O T HA    LYS+  65 - HG3   LYS+  65   2.75 +/- 0.49  98.413% * 92.7091% (0.87   5.27 161.19) =  99.996%  kept
        T HA    GLN   32 - HG3   LYS+  33   6.39 +/- 0.81   1.146% *  0.2404% (0.59   0.02  13.37) =   0.003%
          HA2   GLY   16 - HG3   LYS+  65   7.78 +/- 0.87   0.292% *  0.3245% (0.80   0.02   0.02) =   0.001%
          HA2   GLY   16 - HG3   LYS+  33  14.52 +/- 0.90   0.008% *  0.2802% (0.69   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 106  10.10 +/- 0.85   0.063% *  0.0298% (0.07   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 102  14.39 +/- 1.52   0.008% *  0.2265% (0.56   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  13.53 +/- 0.65   0.012% *  0.1100% (0.27   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  65  15.61 +/- 0.98   0.005% *  0.1817% (0.45   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+  33  17.92 +/- 0.90   0.002% *  0.3036% (0.75   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 106  15.99 +/- 0.62   0.004% *  0.1362% (0.34   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  19.64 +/- 1.10   0.001% *  0.3515% (0.87   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 106  12.63 +/- 0.59   0.018% *  0.0230% (0.06   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 106  15.75 +/- 0.43   0.004% *  0.0762% (0.19   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 102  19.81 +/- 1.10   0.001% *  0.2641% (0.65   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  19.56 +/- 0.96   0.001% *  0.2133% (0.53   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  33  20.84 +/- 1.33   0.001% *  0.2802% (0.69   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  18.54 +/- 0.75   0.002% *  0.1168% (0.29   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  19.75 +/- 0.81   0.001% *  0.1475% (0.36   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 106  19.86 +/- 0.76   0.001% *  0.1475% (0.36   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 102  17.37 +/- 1.58   0.003% *  0.0446% (0.11   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  65  17.11 +/- 0.90   0.003% *  0.0548% (0.14   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 102  21.86 +/- 1.49   0.001% *  0.1479% (0.36   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  21.69 +/- 1.34   0.001% *  0.1666% (0.41   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 102  24.51 +/- 0.78   0.000% *  0.2861% (0.71   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 102  18.91 +/- 0.58   0.001% *  0.0578% (0.14   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  65  19.34 +/- 0.95   0.001% *  0.0710% (0.18   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  24.13 +/- 0.95   0.000% *  0.2784% (0.69   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  24.11 +/- 1.01   0.000% *  0.2264% (0.56   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  65  25.68 +/- 0.98   0.000% *  0.3245% (0.80   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  65  21.38 +/- 1.16   0.001% *  0.1010% (0.25   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 102  25.26 +/- 1.03   0.000% *  0.2641% (0.65   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 106  22.83 +/- 0.99   0.000% *  0.1362% (0.34   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  33  21.27 +/- 0.63   0.001% *  0.0613% (0.15   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  27.27 +/- 0.98   0.000% *  0.2621% (0.65   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  28.26 +/- 0.70   0.000% *  0.3036% (0.75   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  22.02 +/- 1.08   0.001% *  0.0699% (0.17   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 106  20.39 +/- 1.01   0.001% *  0.0424% (0.10   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  33  26.22 +/- 1.09   0.000% *  0.1569% (0.39   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  29.16 +/- 0.51   0.000% *  0.2861% (0.71   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  26.07 +/- 1.10   0.000% *  0.1439% (0.36   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  33  24.61 +/- 1.04   0.000% *  0.0873% (0.22   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  33  23.59 +/- 1.09   0.000% *  0.0474% (0.12   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 102  27.31 +/- 0.75   0.000% *  0.0822% (0.20   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  29.79 +/- 0.70   0.000% *  0.1356% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2806 (7.81, 1.38, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.336, support = 2.77, residual support = 20.8:
          HN    ASP- 105 - HG3   LYS+ 106   3.98 +/- 0.15  98.962% * 91.4102% (0.34   2.77  20.85) =  99.987%  kept
          HN    ASP- 105 - HG3   LYS+ 102   9.08 +/- 0.95   0.873% *  1.2794% (0.65   0.02   0.02) =   0.012%
          HN    ALA   88 - HG3   LYS+ 106  12.94 +/- 0.64   0.092% *  0.4665% (0.24   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   LYS+  33  17.28 +/- 0.60   0.016% *  1.3576% (0.69   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   LYS+  65  19.05 +/- 0.72   0.009% *  1.5721% (0.80   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+ 102  18.21 +/- 1.00   0.012% *  0.9046% (0.46   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  65  16.33 +/- 0.89   0.023% *  0.3029% (0.15   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  33  22.08 +/- 1.06   0.004% *  0.9599% (0.49   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  65  26.43 +/- 1.01   0.001% *  1.1116% (0.57   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 106  19.79 +/- 0.63   0.007% *  0.1271% (0.06   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  33  28.84 +/- 0.50   0.001% *  0.2616% (0.13   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 102  29.47 +/- 0.71   0.001% *  0.2465% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2807 (7.29, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.07, residual support = 111.7:
      O   HN    LYS+  66 - HA    LYS+  66   2.88 +/- 0.02  99.881% * 98.4885% (0.53   5.07 111.66) = 100.000%  kept
          QD    PHE   60 - HA    LYS+  66  10.16 +/- 0.23   0.052% *  0.7128% (0.97   0.02   0.02) =   0.000%
          QE    PHE   59 - HA    LYS+  66   9.82 +/- 0.47   0.066% *  0.1000% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LYS+  66  28.77 +/- 0.40   0.000% *  0.6987% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2808 (7.29, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.02, residual support = 111.7:
      O   HN    LYS+  66 - QB    LYS+  66   2.23 +/- 0.09  99.777% * 98.4732% (0.53   5.02 111.66) =  99.999%  kept
          QD    PHE   60 - QB    LYS+  66   7.92 +/- 0.28   0.053% *  0.7201% (0.97   0.02   0.02) =   0.000%
          QE    PHE   59 - QB    LYS+  66   6.63 +/- 0.51   0.170% *  0.1010% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  66  24.60 +/- 0.37   0.000% *  0.7058% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2809 (7.29, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 0.526, support = 4.55, residual support = 111.7:
          HN    LYS+  66 - QG    LYS+  66   2.95 +/- 0.51  86.404% * 98.1606% (0.53   4.55 111.66) =  99.993%  kept
          HN    LYS+  66 - HG    LEU   67   5.26 +/- 1.25  12.380% *  0.0332% (0.04   0.02  10.47) =   0.005%
          QD    PHE   60 - QG    LYS+  66   8.55 +/- 0.58   0.148% *  0.7909% (0.97   0.02   0.02) =   0.001%
          QE    PHE   59 - QG    LYS+  66   7.07 +/- 0.59   0.570% *  0.1109% (0.14   0.02   0.02) =   0.001%
          QD    PHE   60 - HG    LEU   67   9.06 +/- 1.00   0.200% *  0.0609% (0.07   0.02   0.02) =   0.000%
          QE    PHE   59 - HG    LEU   67   8.39 +/- 0.96   0.297% *  0.0085% (0.01   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG    LYS+  66  25.51 +/- 0.56   0.000% *  0.7753% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG    LEU   67  25.71 +/- 0.54   0.000% *  0.0597% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2810 (7.29, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 0.526, support = 4.73, residual support = 111.7:
          HN    LYS+  66 - QD    LYS+  66   3.87 +/- 0.56  96.675% * 98.1343% (0.53   4.73 111.66) =  99.995%  kept
          QD    PHE   60 - QD    LYS+  66   9.65 +/- 0.88   0.419% *  0.7609% (0.97   0.02   0.02) =   0.003%
          QE    PHE   59 - QD    LYS+  66   8.25 +/- 0.93   1.129% *  0.1067% (0.14   0.02   0.02) =   0.001%
          QE    PHE   59 - HD2   LYS+ 121   8.10 +/- 0.71   1.626% *  0.0133% (0.02   0.02   0.02) =   0.000%
          QD    PHE   60 - HD2   LYS+ 121  13.53 +/- 0.78   0.066% *  0.0946% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  66 - HD2   LYS+ 121  13.14 +/- 1.09   0.083% *  0.0516% (0.07   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD    LYS+  66  26.72 +/- 0.88   0.001% *  0.7459% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HD2   LYS+ 121  27.91 +/- 0.65   0.001% *  0.0927% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2811 (1.45, 1.98, 42.52 ppm):
    13 chemical-shift based assignments, quality = 0.48, support = 3.24, residual support = 61.0:
      O T HB3   LEU   67 - HB2   LEU   67   1.75 +/- 0.00  90.200% * 31.8181% (0.47   2.81  60.98) =  81.754%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.61 +/- 0.28   9.709% * 65.9684% (0.53   5.19  60.98) =  18.245%  kept
          QG    LYS+  66 - HB2   LEU   67   6.36 +/- 0.57   0.048% *  0.2925% (0.61   0.02  10.47) =   0.000%
        T HG    LEU   40 - HB2   LEU   67   6.88 +/- 0.83   0.032% *  0.2925% (0.61   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   LEU   67   8.93 +/- 0.50   0.006% *  0.1705% (0.35   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   LEU   67  10.98 +/- 0.72   0.002% *  0.3380% (0.70   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  13.13 +/- 0.95   0.001% *  0.2925% (0.61   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   LEU   67  11.37 +/- 0.66   0.001% *  0.0780% (0.16   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  12.08 +/- 0.45   0.001% *  0.0974% (0.20   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  13.81 +/- 1.24   0.000% *  0.0974% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   LEU   67  17.79 +/- 1.26   0.000% *  0.3494% (0.72   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   LEU   67  15.28 +/- 0.54   0.000% *  0.0974% (0.20   0.02   0.02) =   0.000%
          HG    LEU   80 - HB2   LEU   67  20.18 +/- 1.11   0.000% *  0.1081% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2812 (0.99, 1.98, 42.52 ppm):
    7 chemical-shift based assignments, quality = 0.701, support = 3.25, residual support = 61.0:
      O T QD1   LEU   67 - HB2   LEU   67   2.31 +/- 0.13  99.648% * 97.5746% (0.70   3.25  60.98) =  99.998%  kept
        T QD2   LEU   40 - HB2   LEU   67   6.71 +/- 0.38   0.209% *  0.6102% (0.71   0.02   0.02) =   0.001%
          QD2   LEU   71 - HB2   LEU   67   7.22 +/- 0.42   0.132% *  0.1921% (0.22   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   67  12.75 +/- 0.38   0.004% *  0.5583% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   67  13.99 +/- 0.78   0.002% *  0.4985% (0.58   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LEU   67  15.19 +/- 0.54   0.001% *  0.4276% (0.50   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LEU   67  13.83 +/- 0.54   0.002% *  0.1386% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2813 (5.01, 0.92, 24.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.76, residual support = 61.0:
          HA    LEU   67 - QD2   LEU   67   2.17 +/- 0.20 100.000% * 98.8214% (0.53   2.76  60.98) = 100.000%  kept
          HA    ASP-  76 - QD2   LEU   67  17.30 +/- 0.38   0.000% *  1.1786% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2814 (1.47, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 3.29, residual support = 61.0:
      O   HG    LEU   67 - QD1   LEU   67   2.10 +/- 0.02  97.951% * 95.9822% (0.73   3.29  60.98) =  99.987%  kept
        T HG    LEU   40 - QD1   LEU   67   4.53 +/- 0.56   1.278% *  0.4869% (0.61   0.02   0.02) =   0.007%
          HB3   LEU   40 - QD1   LEU   67   4.90 +/- 0.44   0.702% *  0.7411% (0.92   0.02   0.02) =   0.006%
          QB    ALA  120 - QD1   LEU   67   8.49 +/- 0.27   0.023% *  0.8028% (1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QD1   LEU   67  10.00 +/- 0.97   0.010% *  0.8028% (1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD1   LEU   67   9.36 +/- 0.70   0.014% *  0.4869% (0.61   0.02   0.02) =   0.000%
        T HG    LEU   73 - QD1   LEU   67   9.52 +/- 0.74   0.013% *  0.1406% (0.18   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD1   LEU   67  11.16 +/- 0.32   0.004% *  0.2478% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   67  13.22 +/- 1.13   0.002% *  0.2002% (0.25   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   67  12.75 +/- 0.44   0.002% *  0.1087% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2815 (1.99, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.309, support = 3.25, residual support = 61.0:
      O T HB2   LEU   67 - QD1   LEU   67   2.31 +/- 0.13  99.836% * 90.5499% (0.31   3.25  60.98) =  99.998%  kept
          HG2   PRO   68 - QD1   LEU   67   7.55 +/- 0.04   0.087% *  1.6675% (0.92   0.02  17.03) =   0.002%
          HB    ILE   19 - QD1   LEU   67  10.21 +/- 0.25   0.014% *  1.5670% (0.87   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   LEU   67  10.78 +/- 0.25   0.010% *  1.4465% (0.80   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   LEU   67  10.59 +/- 0.42   0.011% *  1.2409% (0.69   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD1   LEU   67   9.47 +/- 0.79   0.025% *  0.5023% (0.28   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD1   LEU   67  10.74 +/- 0.22   0.011% *  0.5023% (0.28   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   LEU   67  13.19 +/- 0.34   0.003% *  1.3117% (0.73   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   LEU   67  13.96 +/- 0.42   0.002% *  0.4022% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   LEU   67  20.13 +/- 0.36   0.000% *  0.8099% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2816 (0.93, 1.46, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.21, residual support = 61.0:
      O   QD2   LEU   67 - HG    LEU   67   2.11 +/- 0.02  89.000% * 99.3672% (0.87   3.21  60.98) =  99.982%  kept
        T QD1   LEU   40 - HG    LEU   67   4.07 +/- 0.69   2.933% *  0.4331% (0.61   0.02   0.02) =   0.014%
          QD2   LEU   67 - QG    LYS+  66   4.13 +/- 0.85   7.394% *  0.0477% (0.07   0.02  10.47) =   0.004%
          QG2   ILE  119 - QG    LYS+  66   5.00 +/- 0.52   0.619% *  0.0085% (0.01   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG    LEU   67   8.55 +/- 1.01   0.027% *  0.1102% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG    LYS+  66   8.16 +/- 0.68   0.028% *  0.0333% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.31, support = 0.0195, residual support = 0.0195:
          QD1   LEU  104 - QD1   LEU   67   6.56 +/- 0.79  95.870% * 12.0360% (0.22   0.02   0.02) =  85.163%  kept
          QG2   ILE   89 - QD1   LEU   67  12.02 +/- 0.23   3.140% * 52.9912% (0.98   0.02   0.02) =  12.282%  kept
          QG1   VAL   83 - QD1   LEU   67  14.52 +/- 0.58   0.990% * 34.9728% (0.65   0.02   0.02) =   2.555%
    Distance limit 3.47 A violated in 20 structures by 3.05 A, eliminated.
    Peak unassigned.
 
    Peak 2818 (6.71, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 35.2:
        T HZ    PHE   72 - QD1   LEU   67   1.87 +/- 0.11  99.223% * 99.6586% (0.97   4.00  35.19) =  99.998%  kept
        T QD    PHE   72 - QD1   LEU   67   4.23 +/- 0.09   0.774% *  0.2125% (0.41   0.02  35.19) =   0.002%
          QE    PHE   45 - QD1   LEU   67  10.91 +/- 0.29   0.003% *  0.1289% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2819 (7.00, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 35.2:
          QE    PHE   72 - QD1   LEU   67   2.15 +/- 0.15  99.908% * 99.2526% (0.80   4.00  35.19) = 100.000%  kept
          QD    PHE   95 - QD1   LEU   67   6.98 +/- 0.24   0.092% *  0.1914% (0.31   0.02   0.02) =   0.000%
          HN    ALA   47 - QD1   LEU   67  15.55 +/- 0.19   0.001% *  0.5560% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2820 (4.10, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.615, support = 0.0184, residual support = 0.0184:
          HA    ALA  124 - HG    LEU   67  10.85 +/- 0.93  19.258% * 19.7896% (0.84   0.02   0.02) =  70.933%  kept
          HA    ALA  124 - QG    LYS+  66   9.05 +/- 1.16  51.857% *  1.5234% (0.06   0.02   0.02) =  14.704%  kept
        T HA    LEU  115 - HG    LEU   67  12.49 +/- 0.89   7.545% *  4.6887% (0.20   0.02   0.02) =   6.584%  kept
          HA    GLU-  36 - HG    LEU   67  18.86 +/- 1.09   0.746% * 22.4121% (0.95   0.02   0.02) =   3.113%
        T HA    ARG+  54 - HG    LEU   67  19.35 +/- 1.15   0.538% * 17.2042% (0.73   0.02   0.02) =   1.724%
          HA    LEU  115 - QG    LYS+  66  11.06 +/- 0.45  15.932% *  0.3609% (0.02   0.02   0.02) =   1.070%
          HA    ARG+  54 - QG    LYS+  66  15.02 +/- 0.89   2.911% *  1.3244% (0.06   0.02   0.02) =   0.717%
          HA    LYS+  81 - HG    LEU   67  24.86 +/- 0.48   0.120% * 23.4828% (0.99   0.02   0.02) =   0.525%
          HA    ASN   28 - HG    LEU   67  19.87 +/- 0.78   0.504% *  5.2748% (0.22   0.02   0.02) =   0.495%
          HA    GLU-  36 - QG    LYS+  66  22.34 +/- 0.72   0.228% *  1.7253% (0.07   0.02   0.02) =   0.073%
          HA    LYS+  81 - QG    LYS+  66  24.69 +/- 0.54   0.130% *  1.8077% (0.08   0.02   0.02) =   0.044%
          HA    ASN   28 - QG    LYS+  66  22.39 +/- 0.48   0.230% *  0.4061% (0.02   0.02   0.02) =   0.017%
    Distance limit 4.40 A violated in 20 structures by 3.95 A, eliminated.
    Peak unassigned.
 
    Peak 2821 (5.02, 1.46, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.154, support = 4.01, residual support = 61.0:
      O   HA    LEU   67 - HG    LEU   67   2.91 +/- 0.28  96.645% * 96.7164% (0.15   4.01  60.98) =  99.999%  kept
          HA    LEU   67 - QG    LYS+  66   5.73 +/- 0.65   3.352% *  0.0371% (0.01   0.02  10.47) =   0.001%
          HA    ASP-  76 - HG    LEU   67  19.70 +/- 0.61   0.001% *  3.0144% (0.97   0.02   0.02) =   0.000%
          HA    ASP-  76 - QG    LYS+  66  18.99 +/- 0.58   0.001% *  0.2321% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2822 (7.31, 1.46, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.262, support = 0.0171, residual support = 0.0171:
          QD    PHE   60 - HG    LEU   67   9.06 +/- 1.00  29.483% *  5.4059% (0.18   0.02   0.02) =  45.373%  kept
          QE    PHE   95 - HG    LEU   67  10.72 +/- 0.84  10.129% * 11.5851% (0.38   0.02   0.02) =  33.407%  kept
          HE3   TRP   27 - HG    LEU   67  16.12 +/- 0.55   0.866% * 26.7757% (0.87   0.02   0.02) =   6.602%  kept
          QD    PHE   60 - QG    LYS+  66   8.55 +/- 0.58  38.609% *  0.4162% (0.01   0.02   0.02) =   4.574%
          QE    PHE   95 - QG    LYS+  66   9.79 +/- 0.43  16.994% *  0.8918% (0.03   0.02   0.02) =   4.315%
          QD    PHE   55 - HG    LEU   67  17.68 +/- 1.06   0.476% * 24.7171% (0.80   0.02   0.02) =   3.348%
          QD    PHE   55 - QG    LYS+  66  13.34 +/- 0.71   2.663% *  1.9027% (0.06   0.02   0.02) =   1.442%
          HN    THR   23 - HG    LEU   67  21.35 +/- 0.37   0.154% * 10.5293% (0.34   0.02   0.02) =   0.463%
          HE3   TRP   27 - QG    LYS+  66  18.27 +/- 0.50   0.397% *  2.0612% (0.07   0.02   0.02) =   0.233%
          HN    LYS+  81 - HG    LEU   67  25.71 +/- 0.54   0.050% * 13.8391% (0.45   0.02   0.02) =   0.198%
          HN    THR   23 - QG    LYS+  66  22.07 +/- 0.50   0.126% *  0.8106% (0.03   0.02   0.02) =   0.029%
          HN    LYS+  81 - QG    LYS+  66  25.51 +/- 0.56   0.053% *  1.0653% (0.03   0.02   0.02) =   0.016%
    Distance limit 4.23 A violated in 20 structures by 4.31 A, eliminated.
    Peak unassigned.
 
    Peak 2823 (1.99, 1.43, 42.52 ppm):
    10 chemical-shift based assignments, quality = 0.292, support = 2.81, residual support = 61.0:
      O T HB2   LEU   67 - HB3   LEU   67   1.75 +/- 0.00  99.959% * 89.2317% (0.29   2.81  60.98) =  99.999%  kept
          HG2   PRO   68 - HB3   LEU   67   6.75 +/- 0.04   0.031% *  1.9002% (0.87   0.02  17.03) =   0.001%
          QB    GLU-  15 - HB3   LEU   67   9.14 +/- 1.00   0.006% *  0.5723% (0.26   0.02   0.02) =   0.000%
        T HB    ILE   19 - HB3   LEU   67  11.28 +/- 0.50   0.001% *  1.7855% (0.82   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LEU   67  11.16 +/- 0.64   0.002% *  0.5723% (0.26   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   67  15.35 +/- 0.48   0.000% *  1.6482% (0.76   0.02   0.02) =   0.000%
          HB2   LEU  115 - HB3   LEU   67  15.12 +/- 0.72   0.000% *  1.4139% (0.65   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   67  16.78 +/- 0.94   0.000% *  1.4947% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   LEU   67  19.31 +/- 0.75   0.000% *  0.4583% (0.21   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LEU   67  23.73 +/- 0.63   0.000% *  0.9229% (0.42   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2824 (5.03, 1.43, 42.52 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 0.02, residual support = 0.02:
          HA    ASP-  76 - HB3   LEU   67  18.85 +/- 0.73 100.000% *100.0000% (0.54   0.02   0.02) = 100.000%  kept
    Distance limit 4.01 A violated in 20 structures by 14.84 A, eliminated.
    Peak unassigned.
 
    Peak 2825 (7.36, 1.43, 42.52 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.61, residual support = 61.0:
      O   HN    LEU   67 - HB3   LEU   67   3.40 +/- 0.55  99.876% * 97.6329% (0.54   4.61  60.98) = 100.000%  kept
          QE    PHE   95 - HB3   LEU   67  10.84 +/- 0.74   0.110% *  0.1480% (0.19   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   LEU   67  18.55 +/- 1.04   0.006% *  0.6487% (0.82   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   LEU   67  18.61 +/- 0.84   0.005% *  0.7331% (0.93   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   LEU   67  19.93 +/- 0.50   0.003% *  0.1665% (0.21   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   LEU   67  24.96 +/- 0.75   0.001% *  0.6707% (0.85   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 61.0:
      O   HA    LEU   67 - HB2   LEU   67   2.93 +/- 0.14  99.998% * 99.3549% (0.38   5.08  60.98) = 100.000%  kept
          HA    ASP-  76 - HB2   LEU   67  18.12 +/- 0.35   0.002% *  0.6451% (0.63   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 2.96, residual support = 35.2:
          QE    PHE   72 - HB2   LEU   67   2.56 +/- 0.32  99.952% * 98.9921% (0.58   2.96  35.19) = 100.000%  kept
          QD    PHE   95 - HB2   LEU   67   9.56 +/- 0.48   0.047% *  0.2581% (0.22   0.02   0.02) =   0.000%
          HN    ALA   47 - HB2   LEU   67  18.96 +/- 0.37   0.001% *  0.7499% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2828 (7.35, 1.98, 42.52 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 5.1, residual support = 61.0:
      O   HN    LEU   67 - HB2   LEU   67   2.86 +/- 0.41  99.928% * 98.4608% (0.70   5.10  60.98) = 100.000%  kept
          QE    PHE   95 - HB2   LEU   67  10.18 +/- 0.63   0.055% *  0.2429% (0.44   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   LEU   67  17.96 +/- 0.81   0.002% *  0.3345% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU   67  14.47 +/- 0.40   0.009% *  0.0701% (0.13   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   LEU   67  19.44 +/- 0.29   0.001% *  0.2591% (0.47   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   LEU   67  18.85 +/- 0.80   0.002% *  0.1646% (0.30   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   LEU   67  17.56 +/- 0.64   0.002% *  0.0892% (0.16   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   LEU   67  24.17 +/- 0.59   0.000% *  0.3788% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2831 (6.72, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.96, residual support = 35.2:
        T HZ    PHE   72 - HB2   LEU   67   2.77 +/- 0.37  99.995% * 99.8798% (0.63   2.96  35.19) = 100.000%  kept
          HZ2   TRP   27 - HB2   LEU   67  15.18 +/- 0.45   0.005% *  0.1202% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2832 (3.78, 2.11, 31.99 ppm):
    6 chemical-shift based assignments, quality = 0.568, support = 3.97, residual support = 65.5:
      O T HA    VAL   24 - HB    VAL   24   2.56 +/- 0.29  91.126% * 97.9700% (0.57   3.97  65.53) =  99.990%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.87 +/- 0.06   8.872% *  0.0982% (0.11   0.02  33.91) =   0.010%
          HA    LYS+  38 - HB2   PRO   68  16.35 +/- 0.55   0.002% *  0.6865% (0.79   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  20.18 +/- 0.50   0.000% *  0.5592% (0.64   0.02   0.02) =   0.000%
        T HA    VAL   24 - HB2   PRO   68  23.85 +/- 0.32   0.000% *  0.6061% (0.70   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  26.43 +/- 0.61   0.000% *  0.0800% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 3.33, residual support = 65.5:
      O T QG1   VAL   24 - HB    VAL   24   2.10 +/- 0.01  99.989% * 95.0090% (0.63   3.33  65.53) = 100.000%  kept
          HB3   LEU   31 - HB    VAL   24  11.09 +/- 0.23   0.005% *  0.4243% (0.47   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  11.54 +/- 0.34   0.004% *  0.1222% (0.13   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  16.06 +/- 0.62   0.001% *  0.4905% (0.54   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  17.20 +/- 0.37   0.000% *  0.4599% (0.51   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  14.44 +/- 0.36   0.001% *  0.1501% (0.17   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  19.70 +/- 0.65   0.000% *  0.5209% (0.57   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  19.46 +/- 0.99   0.000% *  0.3747% (0.41   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  22.64 +/- 0.46   0.000% *  0.7433% (0.82   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  22.55 +/- 0.39   0.000% *  0.7000% (0.77   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  26.94 +/- 1.04   0.000% *  0.3996% (0.44   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  29.57 +/- 1.13   0.000% *  0.6055% (0.67   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 0.315, support = 5.81, residual support = 30.7:
      O   HN    ASN   69 - HB2   PRO   68   3.80 +/- 0.19  46.150% * 41.6819% (0.34   6.14  28.17) =  51.316%  kept
          HN    GLU-  25 - HB    VAL   24   3.77 +/- 0.55  48.215% * 35.2716% (0.31   5.85  35.90) =  45.367%  kept
          HN    ASN   28 - HB    VAL   24   5.32 +/- 0.16   5.606% * 22.1780% (0.66   1.71  13.43) =   3.317%
          HN    ASP-  44 - HB    VAL   24  14.30 +/- 0.99   0.018% *  0.1309% (0.33   0.02   0.02) =   0.000%
          HN    ASP-  44 - HB2   PRO   68  15.86 +/- 0.28   0.008% *  0.1607% (0.41   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  22.41 +/- 0.29   0.001% *  0.3185% (0.81   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  25.49 +/- 0.28   0.000% *  0.1480% (0.37   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  24.54 +/- 0.43   0.001% *  0.1105% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2835 (9.23, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.331, support = 4.68, residual support = 65.5:
      O   HN    VAL   24 - HB    VAL   24   2.51 +/- 0.18 100.000% * 99.4785% (0.33   4.68  65.53) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  25.77 +/- 0.28   0.000% *  0.5215% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 2.96, residual support = 33.9:
      O   HD3   PRO   68 - HG2   PRO   68   2.33 +/- 0.12  99.998% * 96.7954% (0.57   2.96  33.91) = 100.000%  kept
          HB2   PHE   59 - HG2   PRO   68  16.04 +/- 0.14   0.001% *  0.3808% (0.33   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   PRO   68  20.38 +/- 0.21   0.000% *  0.5979% (0.52   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   PRO   68  22.12 +/- 0.26   0.000% *  0.7668% (0.67   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   68  23.94 +/- 1.05   0.000% *  0.7806% (0.69   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG2   PRO   68  24.50 +/- 0.28   0.000% *  0.6786% (0.60   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 2.96, residual support = 33.9:
      O   HD2   PRO   68 - HG2   PRO   68   2.84 +/- 0.12  99.967% * 98.8001% (0.63   2.96  33.91) = 100.000%  kept
          HA    ALA   61 - HG2   PRO   68  11.07 +/- 0.22   0.029% *  0.5523% (0.52   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   68  17.80 +/- 0.50   0.002% *  0.1115% (0.11   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   PRO   68  17.73 +/- 0.17   0.002% *  0.0978% (0.09   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   PRO   68  25.30 +/- 0.30   0.000% *  0.4383% (0.42   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 0.69, support = 4.68, residual support = 66.4:
      O   HD3   PRO   68 - HG3   PRO   68   2.88 +/- 0.13  46.964% * 73.6153% (0.84   4.63  33.91) =  74.478%  kept
      O T HD2   ARG+  54 - HG2   ARG+  54   2.87 +/- 0.17  48.489% * 24.4251% (0.27   4.82 161.14) =  25.514%  kept
          QB    PHE   55 - HG2   ARG+  54   5.88 +/- 1.02   3.710% *  0.0777% (0.20   0.02   1.96) =   0.006%
          HB3   CYS   53 - HG2   ARG+  54   5.89 +/- 0.59   0.776% *  0.0996% (0.26   0.02  30.50) =   0.002%
          HD3   PRO   93 - HG2   ARG+  54   9.21 +/- 0.40   0.046% *  0.0881% (0.23   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  11.41 +/- 0.77   0.013% *  0.0495% (0.13   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  17.16 +/- 0.13   0.001% *  0.1854% (0.49   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  21.49 +/- 0.19   0.000% *  0.2910% (0.76   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  23.17 +/- 0.23   0.000% *  0.3733% (0.98   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  25.39 +/- 1.05   0.000% *  0.3800% (1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  25.40 +/- 0.30   0.000% *  0.3303% (0.87   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  22.40 +/- 0.45   0.000% *  0.0849% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2839 (3.75, 1.86, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 4.63, residual support = 33.9:
      O   HD2   PRO   68 - HG3   PRO   68   2.33 +/- 0.13  99.887% * 98.9119% (0.92   4.63  33.91) = 100.000%  kept
          HA    ALA   61 - HG3   PRO   68  12.31 +/- 0.18   0.005% *  0.3539% (0.76   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   ARG+  54   7.70 +/- 0.61   0.102% *  0.0167% (0.04   0.02   0.02) =   0.000%
          HA    ALA   61 - HG2   ARG+  54  12.62 +/- 0.48   0.005% *  0.0944% (0.20   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG3   PRO   68  16.50 +/- 0.53   0.001% *  0.0714% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG3   PRO   68  19.04 +/- 0.15   0.000% *  0.0627% (0.14   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   PRO   68  25.13 +/- 0.29   0.000% *  0.2809% (0.61   0.02   0.02) =   0.000%
          HD2   PRO   68 - HG2   ARG+  54  23.71 +/- 0.57   0.000% *  0.1141% (0.25   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   ARG+  54  24.20 +/- 0.99   0.000% *  0.0749% (0.16   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG2   ARG+  54  31.74 +/- 0.45   0.000% *  0.0191% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 5.0, residual support = 33.9:
      O T HD3   PRO   68 - HD2   PRO   68   1.75 +/- 0.00  98.972% * 98.0395% (0.98   5.00  33.91) = 100.000%  kept
          HB2   PHE   59 - HD3   PRO   58   4.09 +/- 0.35   0.729% *  0.0279% (0.07   0.02  37.68) =   0.000%
          QB    PHE   55 - HD3   PRO   58   4.69 +/- 0.10   0.271% *  0.0301% (0.08   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD3   PRO   58   7.85 +/- 0.07   0.012% *  0.0252% (0.06   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD3   PRO   58   8.12 +/- 0.77   0.012% *  0.0231% (0.06   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD3   PRO   58   9.75 +/- 0.30   0.003% *  0.0292% (0.07   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   68  15.46 +/- 0.31   0.000% *  0.3695% (0.92   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   68  20.13 +/- 0.24   0.000% *  0.3994% (1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD2   PRO   68  21.78 +/- 0.33   0.000% *  0.3343% (0.84   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD2   PRO   68  23.70 +/- 0.35   0.000% *  0.3863% (0.97   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD3   PRO   58  16.36 +/- 0.40   0.000% *  0.0296% (0.07   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   68  24.39 +/- 1.08   0.000% *  0.3059% (0.76   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 5.0, residual support = 33.9:
      O T HD2   PRO   68 - HD3   PRO   68   1.75 +/- 0.00  99.993% * 99.0830% (0.92   5.00  33.91) = 100.000%  kept
          HA    ALA   61 - HD3   PRO   68  10.05 +/- 0.35   0.003% *  0.3283% (0.76   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   93   9.75 +/- 0.30   0.003% *  0.0107% (0.02   0.02   0.02) =   0.000%
          HA    ALA   61 - HD3   PRO   93  14.42 +/- 0.36   0.000% *  0.0603% (0.14   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   68  16.70 +/- 0.51   0.000% *  0.0663% (0.15   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   68  16.36 +/- 0.40   0.000% *  0.0581% (0.14   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   68  24.15 +/- 0.28   0.000% *  0.2605% (0.61   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   93  19.87 +/- 0.51   0.000% *  0.0478% (0.11   0.02   0.02) =   0.000%
        T HD2   PRO   68 - HD3   PRO   93  23.70 +/- 0.35   0.000% *  0.0728% (0.17   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   93  27.66 +/- 0.31   0.000% *  0.0122% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 4.53, residual support = 17.0:
      O   HA    LEU   67 - HD3   PRO   68   2.53 +/- 0.09  99.971% * 99.0668% (0.53   4.53  17.03) = 100.000%  kept
          HA    ASP-  76 - HD3   PRO   93   9.91 +/- 0.46   0.029% *  0.1323% (0.16   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD3   PRO   68  21.86 +/- 0.36   0.000% *  0.7207% (0.87   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   93  21.74 +/- 0.39   0.000% *  0.0803% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 17.0:
      O   HA    LEU   67 - HD2   PRO   68   2.30 +/- 0.06  99.998% * 99.1905% (0.53   4.53  17.03) = 100.000%  kept
          HA    ASP-  76 - HD2   PRO   68  22.52 +/- 0.34   0.000% *  0.7220% (0.87   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD3   PRO   58  14.70 +/- 0.34   0.002% *  0.0545% (0.07   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   58  16.15 +/- 0.17   0.001% *  0.0330% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2846 (7.70, 2.90, 37.49 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 3.63, residual support = 61.5:
      O   HD21  ASN   69 - HB2   ASN   69   2.33 +/- 0.04  99.979% * 97.7644% (0.65   3.63  61.48) = 100.000%  kept
          HN    GLN   17 - HB2   ASN   69   9.73 +/- 0.48   0.020% *  0.6950% (0.84   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   ASN   69  16.72 +/- 0.41   0.001% *  0.2568% (0.31   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   ASN   69  21.77 +/- 0.84   0.000% *  0.5047% (0.61   0.02   0.02) =   0.000%
          HN    TRP   87 - HB2   ASN   69  25.84 +/- 0.71   0.000% *  0.5716% (0.69   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   ASN   69  28.15 +/- 0.72   0.000% *  0.2075% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 5.44, residual support = 61.5:
      O   HN    ASN   69 - HB2   ASN   69   3.16 +/- 0.33  99.987% * 99.7851% (0.97   5.44  61.48) = 100.000%  kept
          HN    GLY  101 - HB2   ASN   69  15.11 +/- 0.99   0.011% *  0.0587% (0.15   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASN   69  21.02 +/- 0.63   0.001% *  0.1563% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2848 (7.69, 2.81, 37.49 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.6, residual support = 61.5:
      O   HD21  ASN   69 - HB3   ASN   69   3.52 +/- 0.01  99.766% * 98.7942% (0.99   3.60  61.48) =  99.999%  kept
          HN    GLN   17 - HB3   ASN   69   9.78 +/- 0.51   0.231% *  0.5432% (0.98   0.02   0.02) =   0.001%
          HN    TRP   87 - HB3   ASN   69  25.64 +/- 0.59   0.001% *  0.5529% (1.00   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   ASN   69  21.56 +/- 0.62   0.002% *  0.1097% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2849 (8.82, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.93, residual support = 61.5:
      O   HN    ASN   69 - HB3   ASN   69   3.28 +/- 0.45  99.980% * 99.7628% (0.97   4.93  61.48) = 100.000%  kept
          HN    GLY  101 - HB3   ASN   69  14.82 +/- 0.90   0.018% *  0.0647% (0.15   0.02   0.02) =   0.000%
          HN    ASN   28 - HB3   ASN   69  20.77 +/- 0.61   0.002% *  0.1724% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 3.39, residual support = 61.5:
          HD21  ASN   69 - HA    ASN   69   3.75 +/- 0.12  98.295% * 90.6698% (0.20   3.40  61.48) =  99.982%  kept
          HN    GLN   17 - HA    ASN   69   7.50 +/- 0.49   1.678% *  0.9206% (0.34   0.02   0.02) =   0.017%
          HN    ALA   61 - HA    ASN   69  15.85 +/- 0.15   0.018% *  2.1611% (0.80   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ASN   69  21.53 +/- 0.35   0.003% *  2.6750% (0.99   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ASN   69  19.42 +/- 0.28   0.005% *  1.0129% (0.38   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ASN   69  27.50 +/- 0.57   0.001% *  1.9598% (0.73   0.02   0.02) =   0.000%
          HN    TRP   87 - HA    ASN   69  25.25 +/- 0.28   0.001% *  0.6009% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 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  14.99 +/- 0.68 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.94 A violated in 20 structures by 11.05 A, eliminated.
    Peak unassigned.
 
    Peak 2852 (1.31, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.215, support = 0.017, residual support = 0.017:
          QG2   THR   77 - HA    SER   48   5.64 +/- 0.41  76.367% *  3.9121% (0.23   0.02   0.02) =  72.326%  kept
          HG2   LYS+  99 - HA    VAL   70   8.44 +/- 0.45   7.221% *  7.1226% (0.41   0.02   0.02) =  12.451%  kept
          QG2   THR   23 - HB2   SER   82   8.31 +/- 0.85   9.484% *  1.8692% (0.11   0.02   0.02) =   4.292%
          QG2   THR   77 - HB2   SER   82  10.55 +/- 0.43   1.950% *  8.3214% (0.48   0.02   0.02) =   3.927%
        T QB    ALA   88 - HB2   SER   82  10.80 +/- 0.40   1.678% *  7.2826% (0.42   0.02   0.02) =   2.958%
          HG2   LYS+  38 - HA    VAL   70  11.43 +/- 0.44   1.156% *  9.1152% (0.53   0.02   0.02) =   2.552%
          QG2   THR   77 - HA    VAL   70  17.45 +/- 0.21   0.089% * 17.1719% (0.99   0.02   0.02) =   0.369%
          HB2   LEU   31 - HA    VAL   70  13.37 +/- 0.45   0.444% *  2.6732% (0.15   0.02   0.02) =   0.287%
        T QB    ALA   88 - HA    SER   48  13.96 +/- 0.86   0.339% *  3.4238% (0.20   0.02   0.02) =   0.281%
          QB    ALA   88 - HA    VAL   70  19.20 +/- 0.42   0.050% * 15.0284% (0.87   0.02   0.02) =   0.183%
          QG2   THR   23 - HA    SER   48  12.66 +/- 0.45   0.647% *  0.8787% (0.05   0.02   0.02) =   0.138%
          HB2   LEU   31 - HB2   SER   82  13.98 +/- 0.97   0.374% *  1.2954% (0.07   0.02   0.02) =   0.117%
          QG2   THR   23 - HA    VAL   70  18.29 +/- 0.46   0.067% *  3.8572% (0.22   0.02   0.02) =   0.063%
          HG2   LYS+ 111 - HA    VAL   70  23.40 +/- 0.38   0.015% *  3.4286% (0.20   0.02   0.02) =   0.013%
          HG2   LYS+  99 - HB2   SER   82  24.23 +/- 1.05   0.013% *  3.4516% (0.20   0.02   0.02) =   0.011%
          HG2   LYS+ 111 - HA    SER   48  18.71 +/- 0.62   0.058% *  0.7811% (0.05   0.02   0.02) =   0.011%
          HG2   LYS+  38 - HB2   SER   82  25.22 +/- 1.25   0.010% *  4.4171% (0.25   0.02   0.02) =   0.011%
          HG2   LYS+ 111 - HB2   SER   82  24.37 +/- 0.68   0.012% *  1.6615% (0.10   0.02   0.02) =   0.005%
          HB2   LEU   31 - HA    SER   48  22.61 +/- 0.62   0.019% *  0.6090% (0.04   0.02   0.02) =   0.003%
          HG2   LYS+  99 - HA    SER   48  28.54 +/- 0.29   0.005% *  1.6227% (0.09   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HA    SER   48  31.83 +/- 0.40   0.002% *  2.0766% (0.12   0.02   0.02) =   0.001%
    Distance limit 3.94 A violated in 20 structures by 1.61 A, eliminated.
    Peak unassigned.
 
    Peak 2853 (8.14, 4.01, 61.79 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 4.88, residual support = 31.5:
      O   HN    LEU   71 - HA    VAL   70   2.23 +/- 0.01  99.990% * 99.0130% (0.87   4.88  31.50) = 100.000%  kept
          HN    THR   26 - HB2   SER   82  11.02 +/- 1.03   0.009% *  0.0565% (0.12   0.02   0.02) =   0.000%
          HN    THR   26 - HA    VAL   70  18.16 +/- 0.36   0.000% *  0.1166% (0.25   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    VAL   70  21.87 +/- 0.29   0.000% *  0.2277% (0.49   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   SER   82  22.41 +/- 0.86   0.000% *  0.1966% (0.42   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    VAL   70  19.83 +/- 0.28   0.000% *  0.0633% (0.14   0.02   0.02) =   0.000%
          HN    THR   26 - HA    SER   48  18.21 +/- 0.38   0.000% *  0.0266% (0.06   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    SER   48  23.27 +/- 0.22   0.000% *  0.0924% (0.20   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    SER   48  21.33 +/- 0.37   0.000% *  0.0519% (0.11   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   SER   82  27.35 +/- 0.45   0.000% *  0.1103% (0.24   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    SER   48  21.94 +/- 0.37   0.000% *  0.0144% (0.03   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   SER   82  28.74 +/- 0.46   0.000% *  0.0307% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 0.665, support = 4.17, residual support = 43.5:
        T HZ    PHE   72 - HB    VAL   70   3.99 +/- 0.12  25.871% * 75.0435% (1.00   4.04  43.50) =  51.650%  kept
          QD    PHE   72 - HB    VAL   70   3.34 +/- 0.47  73.313% * 24.7888% (0.31   4.31  43.50) =  48.349%  kept
          QD    PHE   72 - QG    GLN   17   7.41 +/- 0.32   0.703% *  0.0214% (0.06   0.02   0.02) =   0.000%
        T HZ    PHE   72 - QG    GLN   17  10.40 +/- 0.26   0.084% *  0.0690% (0.19   0.02   0.02) =   0.000%
          QE    PHE   45 - HB    VAL   70  13.22 +/- 0.36   0.019% *  0.0652% (0.18   0.02   0.02) =   0.000%
          QE    PHE   45 - QG    GLN   17  14.80 +/- 0.75   0.011% *  0.0121% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2855 (7.00, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 4.26, residual support = 43.5:
          QE    PHE   72 - HB    VAL   70   2.01 +/- 0.35  99.951% * 98.9126% (0.73   4.26  43.50) = 100.000%  kept
          QE    PHE   72 - QG    GLN   17   8.67 +/- 0.20   0.037% *  0.0862% (0.13   0.02   0.02) =   0.000%
          QD    PHE   95 - HB    VAL   70  10.17 +/- 0.42   0.009% *  0.2398% (0.38   0.02   0.02) =   0.000%
          QD    PHE   95 - QG    GLN   17  13.15 +/- 0.23   0.003% *  0.0446% (0.07   0.02   0.02) =   0.000%
          HN    ALA   47 - HB    VAL   70  19.59 +/- 0.52   0.000% *  0.6045% (0.95   0.02   0.02) =   0.000%
          HN    ALA   47 - QG    GLN   17  17.18 +/- 0.51   0.001% *  0.1123% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2856 (7.99, 2.20, 34.17 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.63, residual support = 83.6:
      O   HN    VAL   70 - HB    VAL   70   2.59 +/- 0.18  99.939% * 99.7139% (0.76   4.63  83.61) = 100.000%  kept
          HN    VAL   70 - QG    GLN   17   9.13 +/- 0.38   0.060% *  0.0800% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  79 - HB    VAL   70  21.42 +/- 0.41   0.000% *  0.1739% (0.31   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG    GLN   17  17.84 +/- 0.87   0.001% *  0.0323% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2857 (8.01, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 5.18, residual support = 83.6:
          HN    VAL   70 - QG1   VAL   70   2.03 +/- 0.21  99.999% * 98.3918% (0.28   5.18  83.61) = 100.000%  kept
          HN    THR   94 - QG1   VAL   70  14.24 +/- 0.35   0.001% *  0.5132% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG1   VAL   70  19.50 +/- 0.17   0.000% *  1.0950% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2859 (8.93, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.347, support = 1.27, residual support = 1.25:
          HN    VAL   42 - QG2   VAL   70   2.94 +/- 0.20  97.734% * 96.2192% (0.35   1.27   1.25) =  99.960%  kept
          HN    LEU   73 - QG2   VAL   70   5.81 +/- 0.14   1.828% *  1.5173% (0.35   0.02   0.02) =   0.029%
          HN    ILE   19 - QG2   VAL   70   7.37 +/- 0.20   0.438% *  2.2635% (0.52   0.02   0.02) =   0.011%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2860 (1.46, 0.19, 22.28 ppm):
    11 chemical-shift based assignments, quality = 0.451, support = 4.0, residual support = 32.9:
        T HG    LEU   40 - QG2   VAL   70   2.56 +/- 0.82  51.266% * 69.5077% (0.54   4.00  32.89) =  73.200%  kept
        T HB3   LEU   40 - QG2   VAL   70   2.51 +/- 0.76  45.689% * 28.5436% (0.22   3.99  32.89) =  26.790%  kept
          HG    LEU   67 - QG2   VAL   70   4.48 +/- 0.63   0.729% *  0.3452% (0.53   0.02   0.11) =   0.005%
          HB3   LEU   67 - QG2   VAL   70   3.66 +/- 0.48   2.239% *  0.0968% (0.15   0.02   0.11) =   0.004%
        T HG    LEU   73 - QG2   VAL   70   6.78 +/- 0.77   0.053% *  0.2253% (0.35   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   VAL   70   8.49 +/- 0.51   0.012% *  0.1561% (0.24   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   VAL   70  11.59 +/- 0.90   0.002% *  0.2662% (0.41   0.02   0.02) =   0.000%
        T HB3   LEU  115 - QG2   VAL   70  12.04 +/- 0.60   0.001% *  0.3475% (0.54   0.02   0.02) =   0.000%
          QB    ALA  120 - QG2   VAL   70  11.43 +/- 0.22   0.002% *  0.2253% (0.35   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   VAL   70   9.71 +/- 0.28   0.005% *  0.0610% (0.09   0.02   0.02) =   0.000%
        T HG    LEU  115 - QG2   VAL   70  13.03 +/- 1.11   0.001% *  0.2253% (0.35   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2861 (6.70, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.421, support = 4.44, residual support = 43.5:
        T QD    PHE   72 - QG2   VAL   70   2.66 +/- 0.21  88.015% * 55.2472% (0.43   4.44  43.50) =  90.131%  kept
        T HZ    PHE   72 - QG2   VAL   70   3.89 +/- 0.39  11.947% * 44.5644% (0.35   4.43  43.50) =   9.869%  kept
          QE    PHE   45 - QG2   VAL   70   9.88 +/- 0.23   0.037% *  0.1884% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 4.44, residual support = 43.5:
          QE    PHE   72 - QG2   VAL   70   2.05 +/- 0.16  99.999% * 99.6110% (0.54   4.44  43.50) = 100.000%  kept
          HN    ALA   47 - QG2   VAL   70  16.08 +/- 0.17   0.000% *  0.2360% (0.28   0.02   0.02) =   0.000%
          HD22  ASN   28 - QG2   VAL   70  15.65 +/- 0.35   0.001% *  0.1530% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 6.14, residual support = 31.5:
          HN    LEU   71 - QG2   VAL   70   2.42 +/- 0.10  99.977% * 99.3548% (0.51   6.14  31.50) = 100.000%  kept
          HN    THR  118 - QG2   VAL   70  12.19 +/- 0.24   0.006% *  0.0951% (0.15   0.02   0.02) =   0.000%
          HN    PHE   60 - QG2   VAL   70  10.90 +/- 0.34   0.013% *  0.0463% (0.07   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   VAL   70  14.38 +/- 0.25   0.002% *  0.1800% (0.28   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   VAL   70  15.90 +/- 0.25   0.001% *  0.3237% (0.51   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2864 (6.70, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.704, support = 2.59, residual support = 43.5:
        T HZ    PHE   72 - QG1   VAL   70   4.30 +/- 0.56  58.738% * 53.8512% (0.65   2.94  43.50) =  62.671%  kept
          QD    PHE   72 - QG1   VAL   70   4.59 +/- 0.20  41.131% * 45.8050% (0.80   2.02  43.50) =  37.328%  kept
          QE    PHE   45 - QG1   VAL   70  12.08 +/- 0.24   0.130% *  0.3438% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2865 (4.88, 1.80, 44.15 ppm):
    4 chemical-shift based assignments, quality = 0.921, support = 0.02, residual support = 0.02:
          HA    VAL   41 - HB2   LEU   71   4.63 +/- 0.75  99.712% * 38.1801% (0.92   0.02   0.02) =  99.800%  kept
          HA    HIS  122 - HB2   LEU   71  15.22 +/- 0.54   0.133% * 39.9153% (0.97   0.02   0.02) =   0.139%
          HA    PHE   45 - HB2   LEU   71  14.13 +/- 0.73   0.145% * 15.5229% (0.38   0.02   0.02) =   0.059%
          HA    MET   92 - HB2   LEU   71  22.35 +/- 0.86   0.010% *  6.3817% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.99 A violated in 14 structures by 0.68 A, eliminated.
    Peak unassigned.
 
    Peak 2866 (8.16, 1.80, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.68, residual support = 126.7:
      O   HN    LEU   71 - HB2   LEU   71   2.75 +/- 0.22  99.995% * 99.3032% (0.95   5.68 126.69) = 100.000%  kept
          HN    PHE   60 - HB2   LEU   71  15.90 +/- 0.43   0.003% *  0.0500% (0.14   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   LEU   71  23.46 +/- 0.47   0.000% *  0.3496% (0.95   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   LEU   71  21.90 +/- 0.34   0.000% *  0.1944% (0.53   0.02   0.02) =   0.000%
          HN    THR  118 - HB2   LEU   71  19.74 +/- 0.38   0.001% *  0.1028% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2867 (8.16, 1.20, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.34, residual support = 126.7:
      O   HN    LEU   71 - HB3   LEU   71   2.40 +/- 0.21  99.998% * 99.2595% (0.95   5.34 126.69) = 100.000%  kept
          HN    PHE   60 - HB3   LEU   71  16.25 +/- 0.38   0.001% *  0.0532% (0.14   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   71  23.86 +/- 0.36   0.000% *  0.3715% (0.95   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   71  22.19 +/- 0.38   0.000% *  0.2066% (0.53   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   71  19.95 +/- 0.32   0.000% *  0.1092% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 4.16, residual support = 126.7:
      O   HB2   LEU   71 - HG    LEU   71   2.40 +/- 0.04  98.541% * 97.0538% (0.97   4.16 126.69) =  99.999%  kept
          HB2   LEU   71 - HG13  ILE   19   6.08 +/- 1.06   0.812% *  0.0668% (0.14   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG    LEU   71   8.19 +/- 1.14   0.103% *  0.2351% (0.49   0.02   0.02) =   0.000%
          HB    VAL   41 - HG    LEU   71   8.96 +/- 1.41   0.079% *  0.2351% (0.49   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG13  ILE   19   6.47 +/- 0.96   0.430% *  0.0337% (0.07   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   71  12.17 +/- 0.56   0.006% *  0.4735% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG    LEU   71  12.72 +/- 0.38   0.005% *  0.3318% (0.69   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG    LEU   71  16.18 +/- 0.74   0.001% *  0.4830% (1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG13  ILE   19  11.81 +/- 1.46   0.011% *  0.0337% (0.07   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE   19  12.39 +/- 0.48   0.005% *  0.0679% (0.14   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   71  16.16 +/- 1.00   0.001% *  0.1648% (0.34   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   71  20.43 +/- 0.57   0.000% *  0.4459% (0.92   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE   19  14.08 +/- 0.31   0.002% *  0.0476% (0.10   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE   19  19.03 +/- 0.83   0.000% *  0.0692% (0.14   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE   19  20.33 +/- 0.41   0.000% *  0.0639% (0.13   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   71  21.80 +/- 0.92   0.000% *  0.0745% (0.15   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG13  ILE   19  18.62 +/- 1.17   0.000% *  0.0236% (0.05   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   71  24.74 +/- 0.53   0.000% *  0.0745% (0.15   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE   19  23.66 +/- 0.87   0.000% *  0.0107% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE   19  24.14 +/- 0.27   0.000% *  0.0107% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 5.82, residual support = 126.7:
          HN    LEU   71 - QD2   LEU   71   3.79 +/- 0.21  99.815% * 99.6559% (0.87   5.82 126.69) = 100.000%  kept
          HN    THR   26 - QD2   LEU   71  11.60 +/- 0.91   0.174% *  0.0985% (0.25   0.02   0.02) =   0.000%
          HN    GLU- 114 - QD2   LEU   71  20.60 +/- 0.51   0.004% *  0.1922% (0.49   0.02   0.02) =   0.000%
          HN    GLN  116 - QD2   LEU   71  19.02 +/- 0.49   0.007% *  0.0534% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2874 (9.37, 0.96, 23.45 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.28, residual support = 19.3:
          HN    PHE   72 - QD2   LEU   71   2.95 +/- 0.36  99.985% * 99.5665% (0.73   5.28  19.33) = 100.000%  kept
          HN    LEU  104 - QD2   LEU   71  13.08 +/- 0.38   0.015% *  0.4335% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2875 (8.96, 5.27, 56.60 ppm):
    4 chemical-shift based assignments, quality = 0.611, support = 4.5, residual support = 27.4:
      O   HN    LEU   73 - HA    PHE   72   2.25 +/- 0.03  85.013% * 99.0252% (0.61   4.51  27.39) =  99.926%  kept
          HN    VAL   42 - HA    PHE   72   3.13 +/- 0.33  13.852% *  0.4393% (0.61   0.02   5.58) =   0.072%
          HN    ILE   19 - HA    PHE   72   4.63 +/- 0.12   1.134% *  0.0961% (0.13   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HA    PHE   72  13.54 +/- 0.26   0.002% *  0.4393% (0.61   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2876 (9.35, 5.27, 56.60 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 4.81, residual support = 81.5:
      O   HN    PHE   72 - HA    PHE   72   2.91 +/- 0.01  99.976% * 99.9109% (0.71   4.81  81.46) = 100.000%  kept
          HN    LEU  104 - HA    PHE   72  11.72 +/- 0.28   0.024% *  0.0891% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 0.427, support = 0.019, residual support = 23.2:
          HG    LEU   73 - HA    PHE   72   4.48 +/- 0.72  81.439% *  6.0849% (0.37   0.02  27.39) =  72.969%  kept
          HG12  ILE   19 - HA    PHE   72   7.00 +/- 0.61   7.241% * 12.0644% (0.74   0.02   0.02) =  12.863%  kept
          HB3   LEU   67 - HA    PHE   72   7.23 +/- 0.39   5.719% * 10.8437% (0.66   0.02  35.19) =   9.132%  kept
          QB    ALA   61 - HA    PHE   72   9.76 +/- 0.25   0.975% * 12.0644% (0.74   0.02   0.02) =   1.732%
          HB3   LYS+  74 - HA    PHE   72   8.50 +/- 0.18   2.077% *  5.1393% (0.31   0.02   0.02) =   1.572%
          QB    LEU   98 - HA    PHE   72   8.77 +/- 0.38   1.706% *  2.4739% (0.15   0.02   0.02) =   0.622%
          QG    LYS+  66 - HA    PHE   72  11.46 +/- 0.35   0.367% *  8.5871% (0.52   0.02   0.02) =   0.463%
          HG    LEU   80 - HA    PHE   72  13.60 +/- 1.01   0.132% * 12.4733% (0.76   0.02   0.02) =   0.243%
          QB    ALA  110 - HA    PHE   72  14.34 +/- 0.29   0.094% * 12.3904% (0.76   0.02   0.02) =   0.171%
          HB2   LEU   80 - HA    PHE   72  14.10 +/- 0.93   0.109% *  7.5823% (0.46   0.02   0.02) =   0.121%
          HD3   LYS+ 121 - HA    PHE   72  14.29 +/- 0.67   0.100% *  5.6046% (0.34   0.02   0.02) =   0.083%
          HG2   LYS+ 102 - HA    PHE   72  16.64 +/- 1.02   0.040% *  4.6918% (0.29   0.02   0.02) =   0.028%
    Distance limit 3.86 A violated in 15 structures by 0.51 A, eliminated.
    Peak unassigned.
 
    Peak 2878 (0.78, 2.83, 40.30 ppm):
    6 chemical-shift based assignments, quality = 0.792, support = 0.0193, residual support = 26.5:
          QD2   LEU   73 - HB2   PHE   72   4.29 +/- 0.16  87.390% * 25.5964% (0.82   0.02  27.39) =  96.732%  kept
          QG1   VAL   43 - HB2   PHE   72   6.31 +/- 0.87  11.085% *  5.1678% (0.17   0.02   0.02) =   2.477%
          QG1   VAL   41 - HB2   PHE   72   8.79 +/- 0.23   1.189% *  8.9075% (0.28   0.02   0.02) =   0.458%
          HG    LEU   31 - HB2   PHE   72  12.49 +/- 1.05   0.176% * 23.4194% (0.75   0.02   0.02) =   0.178%
          QD1   ILE   56 - HB2   PHE   72  12.80 +/- 0.59   0.126% * 25.2013% (0.81   0.02   0.02) =   0.137%
          HG3   LYS+ 121 - HB2   PHE   72  16.00 +/- 0.71   0.034% * 11.7075% (0.37   0.02   0.02) =   0.017%
    Distance limit 4.07 A violated in 19 structures by 0.22 A, eliminated.
    Peak unassigned.
 
    Peak 2879 (0.40, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.58, residual support = 40.1:
        T QB    ALA   64 - HB2   PHE   72   3.07 +/- 0.33  99.986% * 99.8644% (0.84   2.58  40.06) = 100.000%  kept
          QB    ALA   47 - HB2   PHE   72  14.29 +/- 0.76   0.014% *  0.1356% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2880 (0.77, 2.28, 40.30 ppm):
    7 chemical-shift based assignments, quality = 0.635, support = 4.53, residual support = 22.1:
          QD2   LEU   73 - HB3   PHE   72   4.25 +/- 0.05  16.931% * 93.1483% (0.72   5.62  27.39) =  77.662%  kept
          QG2   VAL   18 - HB3   PHE   72   2.92 +/- 0.90  81.165% *  5.5833% (0.33   0.75   3.52) =  22.316%  kept
          QG1   VAL   43 - HB3   PHE   72   6.20 +/- 0.95   1.500% *  0.2406% (0.53   0.02   0.02) =   0.018%
          QG1   VAL   41 - HB3   PHE   72   8.78 +/- 0.25   0.224% *  0.3177% (0.69   0.02   0.02) =   0.004%
          HG    LEU   31 - HB3   PHE   72  12.43 +/- 0.89   0.040% *  0.3753% (0.82   0.02   0.02) =   0.001%
          QG2   THR   46 - HB3   PHE   72   9.47 +/- 0.84   0.119% *  0.1103% (0.24   0.02   0.02) =   0.001%
          QD1   ILE   56 - HB3   PHE   72  12.71 +/- 0.58   0.020% *  0.2246% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2881 (0.41, 2.28, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.78, residual support = 40.1:
        T QB    ALA   64 - HB3   PHE   72   3.09 +/- 0.35  99.955% * 99.7800% (0.63   2.78  40.06) = 100.000%  kept
          QD1   LEU  115 - HB3   PHE   72  11.74 +/- 0.52   0.045% *  0.2200% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2882 (4.02, 2.83, 40.30 ppm):
    9 chemical-shift based assignments, quality = 0.473, support = 0.75, residual support = 3.52:
        T HA    VAL   18 - HB2   PHE   72   2.79 +/- 0.56  99.538% * 81.3179% (0.47   0.75   3.52) =  99.984%  kept
          HA    VAL   70 - HB2   PHE   72   7.73 +/- 0.52   0.271% *  3.7543% (0.82   0.02  43.50) =   0.013%
          HA1   GLY   16 - HB2   PHE   72   8.23 +/- 1.22   0.161% *  1.0649% (0.23   0.02   0.02) =   0.002%
          HB2   SER   37 - HB2   PHE   72  13.75 +/- 0.71   0.011% *  2.3231% (0.51   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PHE   72  14.90 +/- 0.55   0.006% *  2.9271% (0.64   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   PHE   72  16.91 +/- 0.56   0.004% *  3.7543% (0.82   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PHE   72  15.86 +/- 0.36   0.005% *  2.3231% (0.51   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   PHE   72  17.61 +/- 0.89   0.003% *  0.6708% (0.15   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PHE   72  20.67 +/- 1.03   0.001% *  1.8644% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2883 (4.03, 2.28, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.152, support = 1.81, residual support = 3.52:
          HA    VAL   18 - HB3   PHE   72   2.71 +/- 0.63  99.524% * 81.6458% (0.15   1.81   3.52) =  99.981%  kept
          HA    VAL   70 - HB3   PHE   72   7.83 +/- 0.47   0.290% *  3.1259% (0.53   0.02  43.50) =   0.011%
          HA1   GLY   16 - HB3   PHE   72   8.39 +/- 0.77   0.155% *  3.7424% (0.63   0.02   0.02) =   0.007%
          HB2   SER   37 - HB3   PHE   72  13.88 +/- 0.88   0.013% *  5.0517% (0.85   0.02   0.02) =   0.001%
          HA    GLN  116 - HB3   PHE   72  16.87 +/- 0.59   0.005% *  3.1259% (0.53   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB3   PHE   72  14.96 +/- 0.47   0.007% *  1.5907% (0.27   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB3   PHE   72  15.86 +/- 0.34   0.005% *  1.0199% (0.17   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PHE   72  20.54 +/- 0.91   0.001% *  0.6975% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 1 structures by 0.01 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2884 (6.69, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 4.53, residual support = 81.5:
      O T QD    PHE   72 - HB3   PHE   72   2.54 +/- 0.20  99.238% * 99.4582% (0.87   4.53  81.46) =  99.999%  kept
          HZ    PHE   72 - HB3   PHE   72   5.84 +/- 0.00   0.738% *  0.1358% (0.27   0.02  81.46) =   0.001%
        T QE    PHE   45 - HB3   PHE   72  10.23 +/- 0.78   0.024% *  0.4060% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2885 (6.69, 2.83, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.833, support = 3.71, residual support = 81.5:
      O T QD    PHE   72 - HB2   PHE   72   2.57 +/- 0.19  99.209% * 99.3386% (0.83   3.71  81.46) =  99.999%  kept
          HZ    PHE   72 - HB2   PHE   72   5.84 +/- 0.00   0.767% *  0.1657% (0.26   0.02  81.46) =   0.001%
          QE    PHE   45 - HB2   PHE   72  10.37 +/- 0.74   0.023% *  0.4956% (0.77   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 4.33, residual support = 81.5:
      O   HN    PHE   72 - HB2   PHE   72   2.74 +/- 0.64  99.988% * 99.7246% (0.79   4.33  81.46) = 100.000%  kept
          HN    LEU  104 - HB2   PHE   72  14.00 +/- 0.39   0.012% *  0.2754% (0.47   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2887 (2.03, 5.57, 52.40 ppm):
    12 chemical-shift based assignments, quality = 0.88, support = 0.019, residual support = 4.26:
          HG3   GLN   30 - HA    LEU   73   5.88 +/- 0.66  56.578% * 13.3017% (0.99   0.02   4.49) =  63.802%  kept
          HB2   GLN   30 - HA    LEU   73   6.42 +/- 0.55  33.987% * 10.7462% (0.80   0.02   4.49) =  30.963%  kept
          HB2   GLN   17 - HA    LEU   73   8.59 +/- 0.35   5.893% *  6.5324% (0.49   0.02   0.02) =   3.264%
          QB    GLU-  15 - HA    LEU   73  10.19 +/- 0.59   2.210% *  6.5324% (0.49   0.02   0.02) =   1.224%
          HB3   PRO   68 - HA    LEU   73  13.58 +/- 0.19   0.366% * 11.6413% (0.87   0.02   0.02) =   0.361%
          HB3   GLU-  25 - HA    LEU   73  13.53 +/- 0.44   0.369% *  4.1422% (0.31   0.02   0.02) =   0.130%
          HB2   PRO   93 - HA    LEU   73  13.37 +/- 0.34   0.399% *  2.9879% (0.22   0.02   0.02) =   0.101%
          HB3   GLU- 100 - HA    LEU   73  18.47 +/- 0.78   0.059% * 11.6413% (0.87   0.02   0.02) =   0.058%
          HB    ILE  119 - HA    LEU   73  19.75 +/- 0.40   0.038% * 10.7462% (0.80   0.02   0.02) =   0.035%
          HB    VAL  108 - HA    LEU   73  19.83 +/- 0.54   0.037% *  7.5980% (0.57   0.02   0.02) =   0.024%
          HB2   ARG+  54 - HA    LEU   73  19.82 +/- 0.61   0.039% *  6.5324% (0.49   0.02   0.02) =   0.021%
          HB2   LYS+ 111 - HA    LEU   73  21.10 +/- 0.29   0.026% *  7.5980% (0.57   0.02   0.02) =   0.017%
    Distance limit 4.14 A violated in 20 structures by 1.21 A, eliminated.
    Peak unassigned.
 
    Peak 2888 (8.49, 5.57, 52.40 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.93, residual support = 45.3:
      O   HN    LYS+  74 - HA    LEU   73   2.33 +/- 0.09  99.984% * 98.8376% (0.69   5.93  45.28) = 100.000%  kept
          HN    THR   46 - HA    LEU   73  10.10 +/- 0.21   0.015% *  0.1349% (0.28   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LEU   73  22.10 +/- 3.06   0.000% *  0.4684% (0.97   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HA    LEU   73  21.45 +/- 0.23   0.000% *  0.4842% (1.00   0.02   0.02) =   0.000%
          HN    MET   92 - HA    LEU   73  17.88 +/- 0.30   0.001% *  0.0749% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.738, support = 6.29, residual support = 147.6:
      O   HN    LEU   73 - HA    LEU   73   2.93 +/- 0.01  43.748% * 91.5091% (0.80   6.69 163.42) =  90.009%  kept
          HN    ILE   19 - HA    LEU   73   2.81 +/- 0.33  55.924% *  7.9441% (0.18   2.66   5.32) =   9.989%  kept
          HN    VAL   42 - HA    LEU   73   6.79 +/- 0.36   0.326% *  0.2734% (0.80   0.02   1.86) =   0.002%
          HN    LYS+ 106 - HA    LEU   73  16.60 +/- 0.38   0.001% *  0.2734% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 6.44, residual support = 163.4:
      O   HN    LEU   73 - HB2   LEU   73   3.03 +/- 0.47  98.796% * 98.8766% (0.38   6.44 163.42) =  99.996%  kept
          HN    VAL   42 - HB2   LEU   73   6.33 +/- 0.80   1.197% *  0.3071% (0.38   0.02   1.86) =   0.004%
          HN    LYS+ 106 - HB2   LEU   73  15.18 +/- 1.11   0.007% *  0.8164% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 0.8, support = 1.51, residual support = 9.56:
          HA    VAL   43 - HB2   LEU   73   3.94 +/- 0.97  96.801% * 96.8347% (0.80   1.51   9.57) =  99.946%  kept
        T HA    HIS   22 - HB2   LEU   73   8.64 +/- 0.83   3.101% *  1.5985% (1.00   0.02   0.02) =   0.053%
          HA    ASN   69 - HB2   LEU   73  14.29 +/- 0.34   0.098% *  1.5668% (0.98   0.02   0.02) =   0.002%
    Distance limit 4.34 A violated in 7 structures by 0.28 A, kept.
 
    Peak 2892 (8.50, 1.38, 46.21 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.68, residual support = 45.3:
          HN    LYS+  74 - HB3   LEU   73   3.24 +/- 0.41  99.965% * 97.5987% (0.25   5.68  45.28) = 100.000%  kept
          HN    ASP-  78 - HB3   LEU   73  12.76 +/- 0.35   0.032% *  0.5669% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB3   LEU   73  21.56 +/- 0.69   0.002% *  1.0538% (0.76   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LEU   73  23.68 +/- 3.20   0.001% *  0.7807% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2893 (8.96, 1.44, 27.31 ppm):
    20 chemical-shift based assignments, quality = 0.743, support = 4.43, residual support = 159.7:
          HN    LEU   73 - HG    LEU   73   3.28 +/- 0.67  49.878% * 82.3309% (0.80   4.45 163.42) =  92.370%  kept
          HN    ILE   19 - HG12  ILE   19   3.51 +/- 0.32  28.602% *  8.0279% (0.06   6.08 169.98) =   5.165%  kept
          HN    VAL   42 - HG    LEU   40   4.71 +/- 1.36  13.266% *  8.1282% (0.15   2.36   2.04) =   2.425%
          HN    VAL   42 - HG    LEU   73   5.21 +/- 1.27   3.822% *  0.3697% (0.80   0.02   1.86) =   0.032%
          HN    ILE   19 - HG    LEU   73   5.40 +/- 0.68   3.638% *  0.0808% (0.18   0.02   5.32) =   0.007%
          HN    LEU   73 - HG12  ILE   19   7.09 +/- 0.49   0.405% *  0.1207% (0.26   0.02   5.32) =   0.001%
          HN    VAL   42 - HG12  ILE   19   9.20 +/- 0.75   0.087% *  0.1207% (0.26   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   40   8.88 +/- 1.45   0.149% *  0.0689% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   40  10.50 +/- 0.28   0.035% *  0.0689% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  15.27 +/- 1.38   0.004% *  0.3697% (0.80   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   80  11.44 +/- 1.05   0.025% *  0.0450% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU  115  10.55 +/- 0.69   0.037% *  0.0102% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  11.63 +/- 1.32   0.025% *  0.0151% (0.03   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  14.42 +/- 0.95   0.006% *  0.0450% (0.10   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  12.94 +/- 1.04   0.011% *  0.0098% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  20.43 +/- 0.71   0.001% *  0.1207% (0.26   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU  115  15.61 +/- 1.32   0.004% *  0.0102% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  19.90 +/- 1.06   0.001% *  0.0450% (0.10   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU  115  15.83 +/- 1.22   0.003% *  0.0102% (0.02   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU  115  18.45 +/- 1.15   0.001% *  0.0022% (0.00   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 0.266, support = 0.0196, residual support = 0.0196:
          HN    LEU   71 - HG    LEU   73   7.17 +/- 0.64  16.819% * 15.0226% (0.28   0.02   0.02) =  38.773%  kept
          HN    LEU   71 - HG    LEU   40   5.79 +/- 0.85  54.410% *  2.8008% (0.05   0.02   0.02) =  23.384%  kept
          HN    THR   26 - HG    LEU   73   9.95 +/- 0.91   2.178% * 45.1304% (0.84   0.02   0.02) =  15.082%  kept
          HN    THR   26 - HG    LEU   80   7.23 +/- 0.70  15.378% *  5.4916% (0.10   0.02   0.02) =  12.959%  kept
          HN    LEU   71 - HG12  ILE   19   7.83 +/- 0.79  10.104% *  4.9061% (0.09   0.02   0.02) =   7.607%  kept
          HN    THR   26 - HG12  ILE   19  11.43 +/- 0.66   0.937% * 14.7389% (0.27   0.02   0.02) =   2.120%
          HN    THR   26 - HG    LEU   40  19.01 +/- 0.92   0.038% *  8.4139% (0.16   0.02   0.02) =   0.049%
          HN    LEU   71 - HG    LEU   80  17.19 +/- 0.92   0.079% *  1.8280% (0.03   0.02   0.02) =   0.022%
          HN    LEU   71 - HG    LEU  115  18.52 +/- 1.30   0.052% *  0.4165% (0.01   0.02   0.02) =   0.003%
          HN    THR   26 - HG    LEU  115  27.14 +/- 1.18   0.005% *  1.2512% (0.02   0.02   0.02) =   0.001%
    Distance limit 4.36 A violated in 20 structures by 0.75 A, eliminated.
    Peak unassigned.
 
    Peak 2895 (8.97, 0.78, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.375, support = 7.86, residual support = 163.4:
          HN    LEU   73 - QD2   LEU   73   2.44 +/- 0.21  94.453% * 98.6820% (0.38   7.86 163.42) =  99.985%  kept
          HN    VAL   42 - QD2   LEU   73   3.98 +/- 0.27   5.434% *  0.2512% (0.38   0.02   1.86) =   0.015%
          HN    LYS+ 106 - HG3   LYS+ 121   8.07 +/- 1.06   0.104% *  0.2277% (0.34   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QD2   LEU   73  13.28 +/- 0.48   0.004% *  0.6678% (1.00   0.02   0.02) =   0.000%
          HN    VAL   42 - HG3   LYS+ 121  13.29 +/- 0.62   0.004% *  0.0857% (0.13   0.02   0.02) =   0.000%
          HN    LEU   73 - HG3   LYS+ 121  16.40 +/- 0.68   0.001% *  0.0857% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2897 (8.50, 0.78, 24.39 ppm):
    8 chemical-shift based assignments, quality = 0.249, support = 6.07, residual support = 45.3:
          HN    LYS+  74 - QD2   LEU   73   3.99 +/- 0.13  99.854% * 96.9017% (0.25   6.07  45.28) =  99.999%  kept
          HN    ASP-  78 - QD2   LEU   73  13.10 +/- 0.50   0.083% *  0.5263% (0.41   0.02   0.02) =   0.000%
          HN    MET   11 - QD2   LEU   73  17.80 +/- 2.29   0.020% *  0.7247% (0.57   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QD2   LEU   73  18.70 +/- 0.48   0.010% *  0.9783% (0.76   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HG3   LYS+ 121  15.97 +/- 0.81   0.026% *  0.3336% (0.26   0.02   0.02) =   0.000%
          HN    LYS+  74 - HG3   LYS+ 121  20.64 +/- 0.71   0.005% *  0.1088% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 121  26.41 +/- 0.78   0.001% *  0.1795% (0.14   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 121  32.52 +/- 2.09   0.000% *  0.2471% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2898 (8.50, 1.48, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.2, support = 5.75, residual support = 176.0:
      O   HN    LYS+  74 - HB2   LYS+  74   2.64 +/- 0.14  99.980% * 97.6272% (0.20   5.75 176.04) = 100.000%  kept
          HN    ASP-  78 - HB2   LYS+  74  11.14 +/- 0.16   0.019% *  0.5601% (0.33   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB2   LYS+  74  20.13 +/- 0.51   0.001% *  1.0413% (0.61   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+  74  23.43 +/- 3.91   0.001% *  0.7714% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2899 (8.51, 1.41, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.406, support = 0.0197, residual support = 27.0:
          HN    VAL   75 - HB3   LYS+  74   4.25 +/- 0.08  99.341% * 23.3279% (0.41   0.02  27.40) =  98.651%  kept
          HN    ASP-  78 - HB3   LYS+  74   9.86 +/- 0.23   0.639% * 49.2209% (0.87   0.02   0.02) =   1.338%
          HN    MET   11 - HB3   LYS+  74  24.14 +/- 4.16   0.014% *  9.9375% (0.18   0.02   0.02) =   0.006%
          HN    LYS+ 112 - HB3   LYS+  74  20.85 +/- 0.44   0.007% * 17.5137% (0.31   0.02   0.02) =   0.005%
    Distance limit 4.07 A violated in 16 structures by 0.17 A, eliminated.
    Peak unassigned.
 
    Peak 2900 (8.52, 1.24, 25.23 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 5.67, residual support = 27.4:
          HN    VAL   75 - HG2   LYS+  74   3.21 +/- 0.30  99.808% * 99.5067% (0.84   5.67  27.40) =  99.999%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.18 +/- 0.64   0.184% *  0.4118% (0.98   0.02   0.02) =   0.001%
          HN    VAL   75 - HG3   LYS+ 111  17.40 +/- 0.35   0.004% *  0.0375% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 111  18.52 +/- 0.59   0.003% *  0.0440% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2901 (0.45, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 0.335, residual support = 0.335:
          QG1   VAL   75 - HA    THR   77   3.85 +/- 0.31  99.959% * 95.5857% (0.84   0.34   0.34) =  99.998%  kept
          QD1   LEU  115 - HA    THR   77  14.44 +/- 0.40   0.041% *  4.4143% (0.65   0.02   0.02) =   0.002%
    Distance limit 3.86 A violated in 2 structures by 0.10 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2902 (8.53, 2.78, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.95, residual support = 36.7:
      O   HN    ASP-  78 - HB3   ASP-  78   2.37 +/- 0.48  99.976% * 99.5222% (0.95   3.95  36.67) = 100.000%  kept
          HN    VAL   75 - HB3   ASP-  78  10.02 +/- 0.55   0.024% *  0.4778% (0.90   0.02   0.12) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2903 (8.53, 2.91, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.83, residual support = 36.7:
      O   HN    ASP-  78 - HB2   ASP-  78   2.78 +/- 0.24  99.948% * 99.6089% (0.95   4.83  36.67) = 100.000%  kept
          HN    VAL   75 - HB2   ASP-  78   9.94 +/- 0.18   0.052% *  0.3911% (0.90   0.02   0.12) =   0.000%
    Distance limit 3.83 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 = 4.26, residual support = 54.2:
      O T HB3   GLU-  79 - HA    GLU-  79   2.74 +/- 0.11  99.935% * 98.5977% (1.00   4.26  54.15) = 100.000%  kept
        T HB2   GLN   90 - HA    GLU-  79  10.14 +/- 1.91   0.060% *  0.2805% (0.61   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU-  79  16.07 +/- 0.87   0.003% *  0.3703% (0.80   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  79  16.29 +/- 0.33   0.002% *  0.1901% (0.41   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  79  23.29 +/- 0.53   0.000% *  0.4584% (0.99   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  79  27.39 +/- 0.49   0.000% *  0.1030% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 3.56, residual support = 54.2:
      O   QG    GLU-  79 - HB3   GLU-  79   2.29 +/- 0.11  99.989% * 97.7610% (0.98   3.56  54.15) = 100.000%  kept
          QG    GLU-  79 - HB2   GLN   90  11.12 +/- 1.37   0.009% *  0.2038% (0.36   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU-  79  17.30 +/- 1.09   0.001% *  0.4277% (0.76   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLN   90  16.00 +/- 0.75   0.001% *  0.0463% (0.08   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB3   GLU-  79  20.63 +/- 0.34   0.000% *  0.2301% (0.41   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  79  19.49 +/- 0.41   0.000% *  0.1246% (0.22   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   GLU-  79  25.78 +/- 0.54   0.000% *  0.3845% (0.69   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   GLN   90  22.94 +/- 1.23   0.000% *  0.1589% (0.28   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLN   90  20.62 +/- 0.56   0.000% *  0.0855% (0.15   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLN   90  23.30 +/- 1.03   0.000% *  0.1177% (0.21   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU-  79  27.80 +/- 0.48   0.000% *  0.3169% (0.57   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLN   90  27.14 +/- 0.81   0.000% *  0.1429% (0.26   0.02   0.02) =   0.000%
    Distance limit 2.83 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 = 0.961, support = 2.45, residual support = 6.21:
          HB2   ASP-  76 - HB3   GLU-  79   3.65 +/- 0.64  87.070% * 42.5753% (1.00   2.20   4.49) =  84.368%  kept
          HB2   ASP-  78 - HB3   GLU-  79   5.29 +/- 0.24  12.193% * 56.3246% (0.76   3.79  15.46) =  15.630%  kept
          HB2   ASP-  78 - HB2   GLN   90   9.55 +/- 1.48   0.421% *  0.1103% (0.28   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HB2   GLN   90  10.84 +/- 1.59   0.225% *  0.1440% (0.37   0.02   0.02) =   0.001%
        T HB2   ASN   28 - HB3   GLU-  79  12.80 +/- 0.67   0.068% *  0.0680% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   GLU-  79  16.93 +/- 1.31   0.013% *  0.0969% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   GLU-  79  26.01 +/- 0.54   0.001% *  0.3749% (0.97   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HB2   GLN   90  19.75 +/- 1.06   0.005% *  0.0253% (0.07   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB3   GLU-  79  24.86 +/- 0.46   0.001% *  0.0769% (0.20   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLN   90  23.72 +/- 1.18   0.002% *  0.0360% (0.09   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLN   90  30.37 +/- 0.58   0.000% *  0.1393% (0.36   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLN   90  25.89 +/- 0.52   0.001% *  0.0286% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2907 (4.26, 2.14, 31.53 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 54.1:
      O T HA    GLU-  79 - HB3   GLU-  79   2.74 +/- 0.11  86.876% * 96.2950% (0.80   4.26  54.15) =  99.990%  kept
          HB    THR   77 - HB2   GLN   90   4.17 +/- 1.43  12.056% *  0.0647% (0.11   0.02   0.02) =   0.009%
          HA    SER   85 - HB2   GLN   90   6.05 +/- 0.62   0.881% *  0.0647% (0.11   0.02   0.02) =   0.001%
          HB    THR   77 - HB3   GLU-  79   8.55 +/- 0.39   0.097% *  0.1741% (0.31   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HB2   GLN   90  10.14 +/- 1.91   0.050% *  0.1678% (0.30   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  11.66 +/- 0.26   0.015% *  0.1741% (0.31   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  14.11 +/- 0.67   0.005% *  0.1983% (0.35   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  13.26 +/- 0.43   0.007% *  0.1407% (0.25   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  17.11 +/- 0.76   0.002% *  0.5529% (0.98   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  17.58 +/- 0.84   0.001% *  0.5336% (0.95   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  13.44 +/- 0.31   0.006% *  0.0523% (0.09   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  17.61 +/- 0.47   0.001% *  0.2054% (0.36   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  20.96 +/- 0.50   0.000% *  0.2319% (0.41   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  23.78 +/- 0.34   0.000% *  0.4893% (0.87   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  20.01 +/- 0.70   0.001% *  0.0862% (0.15   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  29.22 +/- 4.70   0.000% *  0.1256% (0.22   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  27.70 +/- 0.41   0.000% *  0.1818% (0.32   0.02   0.02) =   0.000%
          HA    SER  117 - HB3   GLU-  79  29.26 +/- 0.47   0.000% *  0.1568% (0.28   0.02   0.02) =   0.000%
          HA    SER  117 - HB2   GLN   90  25.39 +/- 1.08   0.000% *  0.0583% (0.10   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  38.20 +/- 4.13   0.000% *  0.0467% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2908 (4.47, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.27, support = 3.96, residual support = 89.7:
      O T HA    GLN   90 - HB2   GLN   90   2.52 +/- 0.15  97.297% * 92.1872% (0.27   3.96  89.73) =  99.990%  kept
          HA    ALA   91 - HB2   GLN   90   4.84 +/- 0.40   2.633% *  0.3119% (0.18   0.02  32.43) =   0.009%
        T HA    GLN   90 - HB3   GLU-  79   9.97 +/- 1.30   0.032% *  1.2525% (0.73   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   GLU-  79  10.21 +/- 0.62   0.025% *  0.4796% (0.28   0.02   0.02) =   0.000%
          HA    ALA   91 - HB3   GLU-  79  13.51 +/- 0.78   0.005% *  0.8396% (0.49   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  14.06 +/- 0.60   0.004% *  0.5353% (0.31   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  18.89 +/- 0.56   0.001% *  1.4407% (0.84   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  16.11 +/- 1.18   0.002% *  0.4146% (0.24   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  21.04 +/- 0.48   0.000% *  1.1158% (0.65   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  22.04 +/- 0.85   0.000% *  0.9075% (0.53   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   GLN   90  17.60 +/- 0.81   0.001% *  0.1782% (0.10   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  19.79 +/- 0.48   0.000% *  0.3372% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 0.974, support = 2.18, residual support = 5.6:
          HB2   ASP-  76 - HB2   GLU-  79   2.52 +/- 0.29  93.157% * 39.1863% (1.00   1.98   4.49) =  89.872%  kept
          HB2   ASP-  78 - HB2   GLU-  79   4.25 +/- 0.87   6.836% * 60.1828% (0.76   3.96  15.46) =  10.128%  kept
          HB2   ASN   28 - HB2   GLU-  79  13.83 +/- 0.82   0.005% *  0.0696% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLU-  79  17.47 +/- 1.48   0.001% *  0.0991% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLU-  79  25.95 +/- 0.68   0.000% *  0.3836% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLU-  79  24.31 +/- 0.47   0.000% *  0.0787% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2910 (8.07, 2.31, 31.53 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 5.25, residual support = 47.7:
          HN    LEU   80 - HB2   GLU-  79   3.12 +/- 0.67  99.829% * 98.4801% (0.61   5.25  47.72) =  99.999%  kept
          HN    SER   85 - HB2   GLU-  79   9.63 +/- 0.60   0.149% *  0.3013% (0.49   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   GLU-  79  14.62 +/- 0.44   0.014% *  0.2323% (0.38   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLU-  79  17.36 +/- 0.80   0.005% *  0.5369% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLU-  79  18.85 +/- 0.71   0.003% *  0.4494% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2911 (8.07, 2.14, 31.53 ppm):
    10 chemical-shift based assignments, quality = 0.607, support = 5.43, residual support = 47.7:
          HN    LEU   80 - HB3   GLU-  79   2.14 +/- 0.48  99.763% * 97.8631% (0.61   5.43  47.72) = 100.000%  kept
          HN    SER   85 - HB2   GLN   90   7.13 +/- 0.98   0.191% *  0.1076% (0.18   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   GLU-  79   9.38 +/- 0.32   0.025% *  0.2895% (0.49   0.02   0.02) =   0.000%
          HN    LEU   80 - HB2   GLN   90  11.03 +/- 1.51   0.012% *  0.1340% (0.23   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   GLU-  79  15.80 +/- 0.84   0.003% *  0.2232% (0.38   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  16.60 +/- 0.72   0.001% *  0.5158% (0.87   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   GLN   90  13.15 +/- 0.48   0.004% *  0.0829% (0.14   0.02   0.02) =   0.000%
          HN    ALA   34 - HB3   GLU-  79  18.32 +/- 0.52   0.001% *  0.4318% (0.73   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  22.77 +/- 0.70   0.000% *  0.1917% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLN   90  24.21 +/- 0.50   0.000% *  0.1604% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2912 (8.61, 2.14, 31.53 ppm):
    8 chemical-shift based assignments, quality = 0.225, support = 5.59, residual support = 89.7:
      O   HN    GLN   90 - HB2   GLN   90   4.02 +/- 0.22  97.403% * 95.2390% (0.23   5.59  89.73) =  99.990%  kept
          HE1   HIS   22 - HB3   GLU-  79   7.97 +/- 0.79   1.951% *  0.2335% (0.15   0.02   0.02) =   0.005%
          HN    GLN   90 - HB3   GLU-  79  11.05 +/- 1.24   0.297% *  0.9178% (0.61   0.02   0.02) =   0.003%
          HN    GLY  109 - HB2   GLN   90  10.66 +/- 1.04   0.309% *  0.5042% (0.33   0.02   0.02) =   0.002%
          HN    GLY  109 - HB3   GLU-  79  17.41 +/- 0.68   0.015% *  1.3570% (0.90   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLU-  79  22.37 +/- 0.66   0.003% *  1.2116% (0.80   0.02   0.02) =   0.000%
          HN    ILE  103 - HB2   GLN   90  20.96 +/- 0.87   0.005% *  0.4502% (0.30   0.02   0.02) =   0.000%
          HE1   HIS   22 - HB2   GLN   90  17.74 +/- 1.77   0.016% *  0.0867% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2913 (8.07, 2.38, 37.37 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 5.01, residual support = 47.7:
          HN    LEU   80 - QG    GLU-  79   2.89 +/- 0.56  99.878% * 98.4096% (0.61   5.01  47.72) = 100.000%  kept
          HN    SER   85 - QG    GLU-  79   9.58 +/- 0.42   0.102% *  0.3152% (0.49   0.02   0.02) =   0.000%
          HN    GLN   32 - QG    GLU-  79  15.84 +/- 0.88   0.006% *  0.5618% (0.87   0.02   0.02) =   0.000%
          HN    CYS   53 - QG    GLU-  79  14.85 +/- 0.71   0.011% *  0.2431% (0.38   0.02   0.02) =   0.000%
          HN    ALA   34 - QG    GLU-  79  17.44 +/- 0.86   0.003% *  0.4703% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2914 (8.06, 4.27, 58.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 5.36, residual support = 47.7:
      O   HN    LEU   80 - HA    GLU-  79   2.97 +/- 0.26  99.845% * 97.1240% (0.28   5.36  47.72) =  99.998%  kept
          HN    SER   85 - HA    GLU-  79   8.81 +/- 0.39   0.152% *  1.0878% (0.84   0.02   0.02) =   0.002%
          HN    GLN   32 - HA    GLU-  79  18.70 +/- 0.48   0.002% *  1.2994% (1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    GLU-  79  20.66 +/- 0.33   0.001% *  0.4888% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2915 (1.40, 0.59, 24.39 ppm):
    15 chemical-shift based assignments, quality = 0.572, support = 4.44, residual support = 79.9:
      O   HG    LEU   80 - QD2   LEU   80   2.11 +/- 0.02  72.235% * 32.0720% (0.34   4.86  79.86) =  56.111%  kept
      O   HB2   LEU   80 - QD2   LEU   80   2.58 +/- 0.40  27.674% * 65.4788% (0.87   3.91  79.86) =  43.888%  kept
          HB3   LYS+  74 - QD2   LEU   80   8.08 +/- 0.92   0.027% *  0.3789% (0.98   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD2   LEU   80   7.26 +/- 0.97   0.054% *  0.0964% (0.25   0.02   0.02) =   0.000%
          QB    LEU   98 - QD2   LEU   80  11.39 +/- 0.78   0.003% *  0.3731% (0.97   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   80  11.45 +/- 0.71   0.003% *  0.1733% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   80  13.22 +/- 1.27   0.002% *  0.1451% (0.38   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   80  13.30 +/- 0.93   0.001% *  0.1193% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   80  14.35 +/- 0.67   0.001% *  0.1451% (0.38   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   80  17.85 +/- 1.86   0.000% *  0.2954% (0.76   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   80  14.56 +/- 0.79   0.001% *  0.0765% (0.20   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   80  20.73 +/- 0.86   0.000% *  0.3731% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   80  19.04 +/- 0.86   0.000% *  0.1193% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   80  18.35 +/- 1.04   0.000% *  0.0861% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   80  22.44 +/- 0.82   0.000% *  0.0677% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 0.943, support = 5.21, residual support = 37.4:
          HA    THR   23 - QD2   LEU   80   2.33 +/- 0.40  62.766% * 46.3482% (0.99   4.65  10.39) =  61.077%  kept
          HA    LEU   80 - QD2   LEU   80   2.83 +/- 0.93  34.806% * 53.2543% (0.87   6.10  79.86) =  38.916%  kept
          HB    THR   23 - QD2   LEU   80   4.18 +/- 0.29   2.385% *  0.1461% (0.73   0.02  10.39) =   0.007%
          HA    ASP-  78 - QD2   LEU   80   8.49 +/- 0.46   0.042% *  0.1611% (0.80   0.02   1.04) =   0.000%
          HA    ASP- 105 - QD2   LEU   80  17.74 +/- 0.88   0.001% *  0.0902% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2917 (7.32, 0.59, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.384, support = 3.33, residual support = 13.8:
          HN    THR   23 - QD2   LEU   80   3.07 +/- 0.52  83.139% * 23.8189% (0.41   3.06  10.39) =  75.827%  kept
          HN    LYS+  81 - QD2   LEU   80   4.82 +/- 0.76  13.520% * 37.2654% (0.38   5.24  30.70) =  19.292%  kept
          HE3   TRP   27 - QD2   LEU   80   5.55 +/- 0.87   3.323% * 38.3661% (0.92   2.19   6.04) =   4.882%
          QE    PHE   95 - QD2   LEU   80  13.24 +/- 0.78   0.015% *  0.1698% (0.45   0.02   0.02) =   0.000%
          QD    PHE   55 - QD2   LEU   80  19.05 +/- 0.73   0.002% *  0.3285% (0.87   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   80  18.47 +/- 0.86   0.002% *  0.0513% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2918 (9.19, 0.59, 24.39 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 3.15, residual support = 10.6:
          HN    VAL   24 - QD2   LEU   80   2.48 +/- 0.46  99.966% * 99.5447% (0.31   3.15  10.63) = 100.000%  kept
          HN    VAL   43 - QD2   LEU   80  10.97 +/- 0.94   0.034% *  0.4553% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2919 (7.32, 0.56, 25.66 ppm):
    12 chemical-shift based assignments, quality = 0.253, support = 3.56, residual support = 21.2:
          HN    LYS+  81 - QD1   LEU   80   4.58 +/- 0.77  24.873% * 73.4120% (0.24   5.31  30.70) =  53.470%  kept
          HN    THR   23 - QD1   LEU   80   3.46 +/- 1.02  67.389% * 23.5062% (0.27   1.55  10.39) =  46.385%  kept
          HE3   TRP   27 - QD1   LEU   80   5.89 +/- 1.39   6.773% *  0.6796% (0.60   0.02   6.04) =   0.135%
          HE3   TRP   27 - QD2   LEU   98   7.19 +/- 0.69   0.776% *  0.3896% (0.34   0.02   0.02) =   0.009%
          QE    PHE   95 - QD2   LEU   98  10.52 +/- 1.12   0.089% *  0.1892% (0.17   0.02   0.02) =   0.000%
          QE    PHE   95 - QD1   LEU   80  12.75 +/- 1.26   0.027% *  0.3301% (0.29   0.02   0.02) =   0.000%
          HN    THR   23 - QD2   LEU   98  12.29 +/- 0.55   0.030% *  0.1735% (0.15   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD2   LEU   98  14.08 +/- 0.58   0.014% *  0.1584% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - QD1   LEU   80  18.34 +/- 1.25   0.003% *  0.6386% (0.56   0.02   0.02) =   0.000%
          QD    PHE   55 - QD2   LEU   98  17.81 +/- 1.09   0.003% *  0.3661% (0.32   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   98  13.32 +/- 0.81   0.019% *  0.0571% (0.05   0.02   0.02) =   0.000%
          HN    LEU   67 - QD1   LEU   80  18.18 +/- 1.58   0.003% *  0.0996% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2920 (7.30, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 4.89, residual support = 101.1:
          HN    LYS+  81 - QG    LYS+  81   2.16 +/- 0.20  99.974% * 98.5465% (0.87   4.89 101.13) = 100.000%  kept
          HE3   TRP   27 - HG2   LYS+  33   9.69 +/- 0.65   0.015% *  0.0997% (0.21   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG    LYS+  81  11.83 +/- 0.63   0.005% *  0.2083% (0.45   0.02   0.02) =   0.000%
          QD    PHE   60 - QG    LYS+  81  14.71 +/- 0.33   0.001% *  0.2444% (0.53   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+ 106  13.61 +/- 0.68   0.002% *  0.0538% (0.12   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+  33  15.87 +/- 0.95   0.001% *  0.1170% (0.25   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  18.78 +/- 0.56   0.000% *  0.1743% (0.38   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  15.42 +/- 1.19   0.001% *  0.0458% (0.10   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  20.72 +/- 0.57   0.000% *  0.1929% (0.42   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  20.12 +/- 1.17   0.000% *  0.0887% (0.19   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  17.89 +/- 0.67   0.000% *  0.0384% (0.08   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+  33  18.29 +/- 1.23   0.000% *  0.0301% (0.06   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+ 106  18.43 +/- 0.64   0.000% *  0.0138% (0.03   0.02   0.02) =   0.000%
          HN    LYS+  66 - QG    LYS+  81  23.54 +/- 0.35   0.000% *  0.0629% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  27.07 +/- 0.90   0.000% *  0.0835% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2921 (8.00, 1.56, 25.02 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 0.751, residual support = 1.5:
          HN    GLU-  79 - QG    LYS+  81   3.82 +/- 0.10  99.519% * 93.9117% (0.65   0.75   1.50) =  99.997%  kept
          HN    THR   94 - QG    LYS+  81  11.73 +/- 0.45   0.124% *  0.9645% (0.25   0.02   0.02) =   0.001%
          HN    VAL   70 - HG2   LYS+  33  11.95 +/- 1.46   0.137% *  0.7613% (0.20   0.02   0.02) =   0.001%
          HN    THR   94 - HG2   LYS+ 106  11.23 +/- 0.86   0.194% *  0.2122% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+  33  20.60 +/- 0.44   0.004% *  1.1980% (0.31   0.02   0.02) =   0.000%
          HN    VAL   70 - HG2   LYS+ 106  17.66 +/- 0.50   0.011% *  0.3499% (0.09   0.02   0.02) =   0.000%
          HN    VAL   70 - QG    LYS+  81  23.40 +/- 0.28   0.002% *  1.5901% (0.41   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+ 106  19.95 +/- 1.04   0.005% *  0.5505% (0.14   0.02   0.02) =   0.000%
          HN    THR   94 - HG2   LYS+  33  20.59 +/- 0.86   0.004% *  0.4618% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2922 (7.32, 1.87, 32.96 ppm):
    12 chemical-shift based assignments, quality = 0.375, support = 5.2, residual support = 101.1:
      O   HN    LYS+  81 - QB    LYS+  81   2.48 +/- 0.12  99.169% * 96.8745% (0.38   5.20 101.13) =  99.999%  kept
          QD    PHE   55 - HB3   PRO   52   6.25 +/- 0.73   0.754% *  0.0988% (0.10   0.02   0.02) =   0.001%
          HN    THR   23 - QB    LYS+  81  10.20 +/- 0.47   0.022% *  0.4082% (0.41   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    LYS+  81  12.46 +/- 0.59   0.007% *  0.9166% (0.92   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   PRO   52   9.05 +/- 0.53   0.045% *  0.0511% (0.05   0.02   0.02) =   0.000%
          QE    PHE   95 - QB    LYS+  81  15.69 +/- 0.27   0.002% *  0.4451% (0.45   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    LYS+  81  19.95 +/- 0.54   0.000% *  0.8613% (0.87   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   PRO   52  21.33 +/- 0.51   0.000% *  0.1051% (0.11   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PRO   52  19.41 +/- 0.53   0.000% *  0.0427% (0.04   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    LYS+  81  24.54 +/- 0.32   0.000% *  0.1344% (0.14   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   PRO   52  22.38 +/- 0.50   0.000% *  0.0468% (0.05   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   PRO   52  21.56 +/- 0.36   0.000% *  0.0154% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 5.28, residual support = 101.1:
      O   HN    LYS+  81 - HA    LYS+  81   2.78 +/- 0.03  99.979% * 99.3561% (0.87   5.28 101.13) = 100.000%  kept
          HE3   TRP   27 - HA    LYS+  81  11.86 +/- 0.65   0.018% *  0.1944% (0.45   0.02   0.02) =   0.000%
          QD    PHE   60 - HA    LYS+  81  15.83 +/- 0.33   0.003% *  0.2281% (0.53   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    LYS+  81  20.74 +/- 0.47   0.001% *  0.1627% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    LYS+  81  25.38 +/- 0.34   0.000% *  0.0587% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 0.792, support = 2.26, residual support = 10.0:
          HA    ASP-  78 - QG    LYS+  81   3.51 +/- 0.35  78.902% * 35.1203% (0.98   1.06   0.71) =  68.934%  kept
          HA    LEU   80 - QG    LYS+  81   4.46 +/- 0.26  19.849% * 62.8933% (0.38   4.95  30.70) =  31.054%  kept
          HA    THR   23 - QG    LYS+  81   7.84 +/- 0.37   0.768% *  0.5179% (0.76   0.02   0.02) =   0.010%
          HB    THR   23 - QG    LYS+  81  10.00 +/- 0.47   0.176% *  0.1690% (0.25   0.02   0.02) =   0.001%
          HA    PHE   45 - QG    LYS+  81   9.43 +/- 0.29   0.227% *  0.1046% (0.15   0.02   0.02) =   0.001%
          HA    THR   23 - HG2   LYS+  33  15.55 +/- 0.66   0.011% *  0.2480% (0.37   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+  33  14.76 +/- 0.77   0.016% *  0.0809% (0.12   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+ 106  13.62 +/- 1.03   0.033% *  0.0230% (0.03   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+  33  18.25 +/- 0.80   0.005% *  0.1218% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+ 106  21.08 +/- 1.05   0.002% *  0.1462% (0.22   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+  33  17.60 +/- 0.63   0.006% *  0.0501% (0.07   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+  33  23.99 +/- 0.44   0.001% *  0.3180% (0.47   0.02   0.02) =   0.000%
          HA    THR   23 - HG2   LYS+ 106  21.59 +/- 1.23   0.002% *  0.1139% (0.17   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+ 106  19.75 +/- 1.33   0.003% *  0.0560% (0.08   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+ 106  23.25 +/- 1.25   0.001% *  0.0372% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2925 (9.48, 3.99, 61.93 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2926 (8.66, 3.85, 61.93 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 3.42, residual support = 33.5:
      O   HN    SER   82 - HB3   SER   82   2.42 +/- 0.37 100.000% * 97.2864% (0.41   3.42  33.46) = 100.000%  kept
          HN    GLY   16 - HB3   SER   82  25.65 +/- 0.92   0.000% *  1.3568% (0.98   0.02   0.02) =   0.000%
          HN    SER  117 - HB3   SER   82  29.53 +/- 0.47   0.000% *  1.3568% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 0.321, support = 3.92, residual support = 17.6:
      O   HN    TRP   49 - HA    SER   48   3.51 +/- 0.06  36.729% * 59.2903% (0.40   3.77  14.55) =  53.048%  kept
          HN    VAL   83 - HB2   SER   82   3.34 +/- 0.27  50.219% * 38.3086% (0.24   4.10  21.06) =  46.863%  kept
          HN    CYS   50 - HA    SER   48   4.18 +/- 0.11  12.917% *  0.2828% (0.36   0.02   0.02) =   0.089%
          HE22  GLN   30 - HA    VAL   70   9.33 +/- 0.90   0.116% *  0.0888% (0.11   0.02   0.02) =   0.000%
          HN    TRP   49 - HB2   SER   82  18.29 +/- 0.64   0.002% *  0.5730% (0.72   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    SER   48  13.90 +/- 0.47   0.010% *  0.1027% (0.13   0.02   0.02) =   0.000%
          HE22  GLN   30 - HB2   SER   82  16.54 +/- 1.15   0.004% *  0.2557% (0.32   0.02   0.02) =   0.000%
          HN    CYS   50 - HB2   SER   82  18.86 +/- 0.58   0.002% *  0.5150% (0.65   0.02   0.02) =   0.000%
          HE22  GLN   30 - HA    SER   48  19.63 +/- 0.96   0.001% *  0.1404% (0.18   0.02   0.02) =   0.000%
          HN    CYS   50 - HA    VAL   70  24.40 +/- 0.21   0.000% *  0.1788% (0.23   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   70  25.90 +/- 0.33   0.000% *  0.1990% (0.25   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    VAL   70  21.72 +/- 0.52   0.001% *  0.0649% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 4.02, residual support = 33.5:
      O   HN    SER   82 - HB2   SER   82   2.90 +/- 0.61  99.035% * 95.2902% (0.39   4.02  33.46) =  99.996%  kept
          HN    GLY   16 - HA    VAL   70   7.28 +/- 0.67   0.944% *  0.3923% (0.32   0.02   0.02) =   0.004%
          HN    SER   82 - HA    SER   48  13.21 +/- 0.51   0.018% *  0.2602% (0.21   0.02   0.02) =   0.000%
          HN    SER  117 - HA    VAL   70  19.80 +/- 0.25   0.002% *  0.3923% (0.32   0.02   0.02) =   0.000%
          HN    GLY   16 - HB2   SER   82  26.31 +/- 0.97   0.000% *  1.1298% (0.93   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    SER   48  24.26 +/- 0.52   0.000% *  0.6204% (0.51   0.02   0.02) =   0.000%
          HN    SER  117 - HA    SER   48  24.28 +/- 0.36   0.000% *  0.6204% (0.51   0.02   0.02) =   0.000%
          HN    SER  117 - HB2   SER   82  29.82 +/- 0.53   0.000% *  1.1298% (0.93   0.02   0.02) =   0.000%
          HN    SER   82 - HA    VAL   70  24.11 +/- 0.50   0.001% *  0.1645% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2929 (7.56, 1.66, 32.03 ppm):
    4 chemical-shift based assignments, quality = 0.437, support = 5.21, residual support = 41.6:
          HN    ALA   84 - HB    VAL   83   2.70 +/- 0.35  99.992% * 98.7862% (0.44   5.21  41.61) = 100.000%  kept
          HE21  GLN   32 - HB    VAL   83  16.38 +/- 2.03   0.006% *  0.6984% (0.80   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB    VAL   83  19.29 +/- 0.48   0.001% *  0.3791% (0.44   0.02   0.02) =   0.000%
          HN    ILE   56 - HB    VAL   83  20.55 +/- 0.44   0.001% *  0.1364% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2930 (6.60, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.651, support = 4.81, residual support = 87.2:
      O   HN    VAL   83 - HB    VAL   83   2.39 +/- 0.40  99.997% * 99.2735% (0.65   4.81  87.21) = 100.000%  kept
          HN    CYS   50 - HB    VAL   83  16.14 +/- 0.51   0.002% *  0.5684% (0.90   0.02   0.02) =   0.000%
          HN    TRP   49 - HB    VAL   83  16.09 +/- 0.54   0.001% *  0.1580% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2931 (7.61, 3.68, 55.33 ppm):
    5 chemical-shift based assignments, quality = 0.935, support = 0.0195, residual support = 0.0195:
          HZ2   TRP   87 - HA    ALA   84   7.94 +/- 0.21  89.242% * 31.7530% (0.96   0.02   0.02) =  92.002%  kept
          HD21  ASN   28 - HA    ALA   84  12.84 +/- 0.63   5.316% * 30.7120% (0.93   0.02   0.02) =   5.301%  kept
          QE    PHE   60 - HA    ALA   84  13.29 +/- 0.54   4.259% * 16.7431% (0.51   0.02   0.02) =   2.315%
          HN    ILE   56 - HA    ALA   84  17.64 +/- 0.42   0.763% *  8.8482% (0.27   0.02   0.02) =   0.219%
          HN    LEU   63 - HA    ALA   84  19.46 +/- 0.35   0.421% * 11.9438% (0.36   0.02   0.02) =   0.163%
    Distance limit 3.89 A violated in 20 structures by 3.97 A, eliminated.
    Peak unassigned.
 
    Peak 2932 (6.69, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 0.413, residual support = 0.413:
          QE    PHE   45 - HA    ALA   84   2.60 +/- 0.35  99.994% * 92.6099% (0.81   0.41   0.41) = 100.000%  kept
          QD    PHE   72 - HA    ALA   84  14.26 +/- 0.22   0.005% *  5.1825% (0.93   0.02   0.02) =   0.000%
          HZ    PHE   72 - HA    ALA   84  17.76 +/- 0.35   0.001% *  2.2077% (0.40   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2933 (1.74, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.913, support = 1.21, residual support = 11.8:
          HB    ILE   89 - HA    ALA   84   2.82 +/- 0.28  99.991% * 98.2639% (0.91   1.21  11.83) = 100.000%  kept
          QG1   ILE   56 - HA    ALA   84  14.26 +/- 0.25   0.007% *  0.7672% (0.43   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ALA   84  18.46 +/- 0.38   0.002% *  0.9689% (0.55   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2934 (0.10, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.706, support = 3.41, residual support = 35.9:
          QG2   VAL   83 - HA    ALA   84   3.39 +/- 0.38  81.658% * 48.5040% (0.66   3.56  41.61) =  80.918%  kept
          QD1   ILE   89 - HA    ALA   84   4.47 +/- 0.25  18.173% * 51.3970% (0.89   2.80  11.83) =  19.082%  kept
          QD2   LEU   31 - HA    ALA   84   9.51 +/- 0.32   0.169% *  0.0990% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2935 (-0.06, 3.68, 55.33 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 2.6, residual support = 11.8:
          HG13  ILE   89 - HA    ALA   84   3.01 +/- 0.29 100.000% *100.0000% (0.55   2.60  11.83) = 100.000%  kept
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2936 (0.10, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.745, support = 3.47, residual support = 30.9:
          QG2   VAL   83 - QB    ALA   84   3.91 +/- 0.45  68.616% * 44.3768% (0.66   3.56  41.61) =  63.923%  kept
          QD1   ILE   89 - QB    ALA   84   4.51 +/- 0.15  30.946% * 55.5326% (0.89   3.31  11.83) =  36.077%  kept
        T QD2   LEU   31 - QB    ALA   84   9.08 +/- 0.33   0.438% *  0.0906% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2937 (-0.06, 1.35, 18.25 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 3.66, residual support = 11.8:
          HG13  ILE   89 - QB    ALA   84   3.65 +/- 0.19 100.000% *100.0000% (0.55   3.66  11.83) = 100.000%  kept
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2938 (6.86, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 0.02, residual support = 0.413:
          QD    PHE   45 - QB    ALA   84   3.06 +/- 0.30  99.997% * 73.1356% (0.87   0.02   0.41) =  99.999%  kept
          HD2   HIS  122 - QB    ALA   84  18.56 +/- 0.28   0.002% * 14.2817% (0.17   0.02   0.02) =   0.000%
          HE22  GLN  116 - QB    ALA   84  21.50 +/- 0.82   0.001% * 12.5826% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2939 (6.64, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.677, support = 0.0199, residual support = 0.0199:
          HN    TRP   49 - QB    ALA   84   9.89 +/- 0.31  79.839% * 28.9138% (0.59   0.02   0.02) =  71.747%  kept
          HE22  GLN   30 - QB    ALA   84  12.64 +/- 0.67  19.279% * 46.0056% (0.93   0.02   0.02) =  27.566%  kept
          HD22  ASN   69 - QB    ALA   84  21.18 +/- 0.98   0.882% * 25.0806% (0.51   0.02   0.02) =   0.688%
    Distance limit 4.65 A violated in 20 structures by 4.88 A, eliminated.
    Peak unassigned.
 
    Peak 2940 (8.05, 3.96, 63.04 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 3.15, residual support = 18.1:
      O   HN    SER   85 - QB    SER   85   2.19 +/- 0.10  99.980% * 98.6335% (0.99   3.15  18.07) = 100.000%  kept
          HN    SER   85 - QB    SER   48  11.39 +/- 0.59   0.006% *  0.1526% (0.24   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   85  12.36 +/- 0.46   0.003% *  0.1406% (0.22   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   85  16.65 +/- 0.57   0.001% *  0.5479% (0.87   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   48  10.80 +/- 0.51   0.007% *  0.0343% (0.05   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER  117  13.69 +/- 0.28   0.002% *  0.0217% (0.03   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   85  18.93 +/- 0.46   0.000% *  0.1106% (0.18   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   48  22.50 +/- 0.50   0.000% *  0.1336% (0.21   0.02   0.02) =   0.000%
          HN    SER   85 - QB    SER  117  22.47 +/- 0.41   0.000% *  0.0966% (0.15   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER  117  24.86 +/- 0.55   0.000% *  0.0845% (0.13   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   48  23.36 +/- 0.40   0.000% *  0.0270% (0.04   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER  117  22.88 +/- 0.39   0.000% *  0.0171% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 13.3:
          HN    ASP-  86 - QB    SER   85   2.86 +/- 0.17  99.923% * 97.6191% (0.87   3.33  13.32) = 100.000%  kept
          HN    GLU-  29 - QB    SER   85  14.86 +/- 0.69   0.005% *  0.6621% (0.98   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   85  15.54 +/- 0.58   0.004% *  0.5408% (0.80   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER   48  13.56 +/- 0.57   0.011% *  0.1429% (0.21   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER  117  10.25 +/- 0.27   0.050% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER   48  19.95 +/- 0.47   0.001% *  0.1614% (0.24   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   48  19.80 +/- 0.42   0.001% *  0.1319% (0.20   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   85  21.57 +/- 0.31   0.001% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   85  22.24 +/- 1.72   0.000% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER  117  22.03 +/- 0.44   0.001% *  0.0904% (0.13   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   48  18.22 +/- 0.58   0.002% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   85  27.50 +/- 1.61   0.000% *  0.1504% (0.22   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER  117  24.82 +/- 0.50   0.000% *  0.0834% (0.12   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER  117  26.58 +/- 0.59   0.000% *  0.1022% (0.15   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER  117  20.33 +/- 0.30   0.001% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   48  22.09 +/- 0.78   0.000% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   48  26.37 +/- 1.60   0.000% *  0.0367% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER  117  27.72 +/- 1.07   0.000% *  0.0232% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 3.02, residual support = 16.2:
      O   HN    SER  117 - QB    SER  117   2.11 +/- 0.06 100.000% * 91.2642% (0.12   3.02  16.20) = 100.000%  kept
          HN    SER  117 - QB    SER   85  23.69 +/- 0.44   0.000% *  3.9132% (0.80   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   85  24.82 +/- 0.50   0.000% *  2.7668% (0.57   0.02   0.02) =   0.000%
          HN    SER  117 - QB    SER   48  22.70 +/- 0.50   0.000% *  0.9542% (0.20   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   48  23.55 +/- 0.47   0.000% *  0.6747% (0.14   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER  117  21.85 +/- 0.54   0.000% *  0.4269% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2943 (8.05, 4.28, 61.37 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.65, residual support = 18.1:
      O   HN    SER   85 - HA    SER   85   2.78 +/- 0.02  99.981% * 99.3061% (0.99   3.65  18.07) = 100.000%  kept
          HN    THR   94 - HA    SER   85  11.83 +/- 0.57   0.018% *  0.1221% (0.22   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    SER   85  19.10 +/- 0.41   0.001% *  0.4757% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   85  21.19 +/- 0.30   0.001% *  0.0960% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2944 (8.31, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.56, residual support = 41.0:
      O   HN    ASP-  86 - HB3   ASP-  86   2.69 +/- 0.40  99.980% * 98.1296% (0.95   3.56  40.96) = 100.000%  kept
          HN    GLN   30 - HB3   ASP-  86  14.46 +/- 0.69   0.007% *  0.5715% (0.98   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   ASP-  86  13.75 +/- 0.72   0.008% *  0.3301% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASP-  86  16.61 +/- 0.96   0.004% *  0.2614% (0.45   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASP-  86  23.01 +/- 2.37   0.001% *  0.3068% (0.53   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASP-  86  28.79 +/- 1.82   0.000% *  0.4005% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2945 (8.32, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 4.87, residual support = 41.0:
      O   HN    ASP-  86 - HB2   ASP-  86   2.42 +/- 0.12  99.990% * 97.0473% (0.49   4.87  40.96) = 100.000%  kept
          HN    GLN   30 - HB2   ASP-  86  13.52 +/- 0.54   0.004% *  0.4632% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASP-  86  15.57 +/- 0.55   0.002% *  0.7553% (0.92   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   ASP-  86  13.04 +/- 0.57   0.004% *  0.1262% (0.15   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASP-  86  21.63 +/- 2.19   0.000% *  0.7896% (0.97   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASP-  86  27.59 +/- 1.80   0.000% *  0.8182% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.375, support = 3.6, residual support = 22.3:
          HD1   TRP   87 - HB2   ASP-  86   3.30 +/- 0.18  98.113% * 94.6421% (0.38   3.60  22.29) =  99.982%  kept
          HE3   TRP   87 - HB2   ASP-  86   6.50 +/- 0.24   1.774% *  0.8495% (0.61   0.02  22.29) =   0.016%
          HN    TRP   27 - HB2   ASP-  86  11.41 +/- 0.64   0.059% *  1.3516% (0.97   0.02   0.02) =   0.001%
          HN    ALA   91 - HB2   ASP-  86  11.79 +/- 0.53   0.051% *  1.3249% (0.95   0.02   0.02) =   0.001%
          HN    ALA   61 - HB2   ASP-  86  22.60 +/- 0.45   0.001% *  1.2561% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASP-  86  19.83 +/- 0.47   0.002% *  0.5758% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.77 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 +/- 0.28  99.566% * 86.2245% (0.22   2.25  10.83) =  99.993%  kept
          HB3   SER   82 - HB2   ASP-  86   6.84 +/- 0.44   0.428% *  1.4153% (0.41   0.02   0.02) =   0.007%
          HA    GLN   30 - HB2   ASP-  86  15.84 +/- 0.52   0.003% *  3.3223% (0.97   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   ASP-  86  20.50 +/- 0.65   0.001% *  3.0874% (0.90   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   ASP-  86  20.98 +/- 0.40   0.000% *  3.1779% (0.92   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB2   ASP-  86  17.97 +/- 0.64   0.001% *  0.6813% (0.20   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   ASP-  86  19.68 +/- 0.69   0.001% *  0.5312% (0.15   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   ASP-  86  24.95 +/- 0.48   0.000% *  0.9572% (0.28   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   ASP-  86  26.36 +/- 2.85   0.000% *  0.6029% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2948 (8.32, 4.30, 57.50 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 4.05, residual support = 41.0:
      O   HN    ASP-  86 - HA    ASP-  86   2.82 +/- 0.02  99.992% * 96.4712% (0.49   4.05  40.96) = 100.000%  kept
          HN    LYS+  99 - HA    ASP-  86  17.20 +/- 0.50   0.002% *  0.9027% (0.92   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    ASP-  86  16.53 +/- 0.57   0.003% *  0.5536% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    ASP-  86  15.99 +/- 0.66   0.003% *  0.1509% (0.15   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    ASP-  86  23.17 +/- 2.13   0.000% *  0.9437% (0.97   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASP-  86  30.47 +/- 1.75   0.000% *  0.9779% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 3.31, residual support = 65.7:
          HE3   TRP   87 - HA    TRP   87   2.91 +/- 0.10  99.913% * 98.4747% (0.99   3.31  65.68) = 100.000%  kept
          HN    ALA   91 - HA    TRP   87   9.75 +/- 0.58   0.077% *  0.5210% (0.87   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    TRP   87  13.77 +/- 0.32   0.009% *  0.3160% (0.53   0.02   6.25) =   0.000%
          HN    ALA   61 - HA    TRP   87  20.38 +/- 0.30   0.001% *  0.5545% (0.92   0.02   0.02) =   0.000%
          HN    GLN   17 - HA    TRP   87  23.06 +/- 0.37   0.000% *  0.1337% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2950 (7.72, 3.41, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.02, residual support = 65.7:
      O   HE3   TRP   87 - HB2   TRP   87   2.60 +/- 0.04  99.896% * 98.3316% (0.99   3.02  65.68) =  99.999%  kept
          HN    ALA   91 - HB2   TRP   87   8.41 +/- 0.57   0.096% *  0.5699% (0.87   0.02   0.02) =   0.001%
          HN    TRP   27 - HB2   TRP   87  12.94 +/- 0.30   0.007% *  0.3457% (0.53   0.02   6.25) =   0.000%
          HN    ALA   61 - HB2   TRP   87  17.92 +/- 0.29   0.001% *  0.6065% (0.92   0.02   0.02) =   0.000%
          HN    GLN   17 - HB2   TRP   87  21.07 +/- 0.39   0.000% *  0.1463% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 0.974, support = 0.0197, residual support = 64.6:
      O   HE3   TRP   87 - HB3   TRP   87   4.10 +/- 0.02  97.993% * 28.0743% (0.99   0.02  65.68) =  98.292%  kept
          HN    ALA   91 - HB3   TRP   87   8.08 +/- 0.56   1.840% * 24.5699% (0.87   0.02   0.02) =   1.615%
          HN    TRP   27 - HB3   TRP   87  12.09 +/- 0.32   0.151% * 14.9024% (0.53   0.02   6.25) =   0.080%
          HN    ALA   61 - HB3   TRP   87  18.46 +/- 0.29   0.012% * 26.1473% (0.92   0.02   0.02) =   0.011%
          HN    GLN   17 - HB3   TRP   87  21.35 +/- 0.37   0.005% *  6.3061% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 20 structures by 0.50 A, eliminated.
    Peak unassigned.
 
    Peak 2952 (0.08, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 2.2, residual support = 13.6:
          QD1   ILE   89 - HB2   TRP   87   2.51 +/- 0.30  97.694% * 98.2816% (0.90   2.20  13.62) =  99.976%  kept
          QG2   VAL   83 - HB2   TRP   87   4.96 +/- 0.40   2.248% *  0.9955% (1.00   0.02  17.88) =   0.023%
          QD2   LEU   31 - HB2   TRP   87   8.97 +/- 0.18   0.058% *  0.7229% (0.73   0.02   2.24) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2953 (0.11, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 0.429, support = 3.39, residual support = 14.0:
        T QD1   ILE   89 - HB3   TRP   87   3.35 +/- 0.33  68.100% * 82.0252% (0.45   3.56  13.62) =  91.383%  kept
          QG2   VAL   83 - HB3   TRP   87   3.94 +/- 0.38  30.055% * 17.5093% (0.22   1.53  17.88) =   8.609%  kept
          QG2   VAL   75 - HB3   TRP   87   6.21 +/- 0.27   1.809% *  0.2856% (0.28   0.02   0.02) =   0.008%
          QG2   VAL   42 - HB3   TRP   87  11.82 +/- 0.33   0.037% *  0.1799% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2954 (1.25, 2.50, 28.05 ppm):
    11 chemical-shift based assignments, quality = 0.223, support = 0.75, residual support = 13.6:
          HG12  ILE   89 - HB3   TRP   87   2.13 +/- 0.21  99.966% * 54.8868% (0.22   0.75  13.62) =  99.997%  kept
          QB    ALA   91 - HB3   TRP   87   8.87 +/- 0.71   0.023% *  5.7027% (0.87   0.02   0.02) =   0.002%
          HG2   LYS+  74 - HB3   TRP   87  12.51 +/- 0.49   0.003% *  5.8960% (0.90   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB3   TRP   87  12.12 +/- 0.25   0.003% *  2.7027% (0.41   0.02   0.02) =   0.000%
          QB    ALA   34 - HB3   TRP   87  12.86 +/- 0.26   0.003% *  1.6393% (0.25   0.02   0.02) =   0.000%
          QG2   THR   39 - HB3   TRP   87  16.50 +/- 0.46   0.001% *  5.7027% (0.87   0.02   0.02) =   0.000%
          HG    LEU   71 - HB3   TRP   87  17.43 +/- 0.74   0.000% *  5.7027% (0.87   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB3   TRP   87  17.96 +/- 0.41   0.000% *  6.5596% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB3   TRP   87  18.61 +/- 0.59   0.000% *  6.0688% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB3   TRP   87  16.30 +/- 0.54   0.001% *  1.1513% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB3   TRP   87  22.62 +/- 0.67   0.000% *  3.9875% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2955 (7.84, 3.98, 52.68 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.63, residual support = 11.2:
      O   HN    ALA   88 - HA    ALA   88   2.22 +/- 0.01  99.999% * 91.1240% (0.38   1.63  11.15) = 100.000%  kept
          HN    LEU   31 - HA    ALA   88  18.17 +/- 0.30   0.000% *  2.5803% (0.87   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ALA   88  20.42 +/- 0.37   0.000% *  2.5803% (0.87   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ALA   88  19.75 +/- 0.36   0.000% *  1.3336% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ALA   88  23.46 +/- 0.37   0.000% *  2.3819% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2956 (7.84, 1.31, 16.77 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.87, residual support = 11.2:
      O   HN    ALA   88 - QB    ALA   88   2.87 +/- 0.06  99.989% * 92.1693% (0.38   1.87  11.15) = 100.000%  kept
          HN    LEU   31 - QB    ALA   88  15.31 +/- 0.16   0.004% *  2.2764% (0.87   0.02   0.02) =   0.000%
          HN    PHE   55 - QB    ALA   88  16.89 +/- 0.29   0.002% *  2.2764% (0.87   0.02   0.02) =   0.000%
          HN    ARG+  54 - QB    ALA   88  16.61 +/- 0.26   0.003% *  1.1765% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  62 - QB    ALA   88  19.06 +/- 0.48   0.001% *  2.1014% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2957 (0.10, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 5.98, residual support = 214.8:
          QD1   ILE   89 - HA    ILE   89   2.29 +/- 0.13  99.924% * 99.6619% (0.92   5.98 214.84) = 100.000%  kept
          QG2   VAL   83 - HA    ILE   89   7.79 +/- 0.34   0.072% *  0.2481% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   31 - HA    ILE   89  12.70 +/- 0.23   0.004% *  0.0901% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2958 (8.62, 3.87, 59.74 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 6.31, residual support = 39.8:
      O   HN    GLN   90 - HA    ILE   89   2.71 +/- 0.35  99.197% * 99.4836% (0.99   6.31  39.83) =  99.999%  kept
          HN    GLY  109 - HA    ILE   89   6.42 +/- 0.43   0.775% *  0.0884% (0.28   0.02   0.02) =   0.001%
          HN    SER   82 - HA    ILE   89  11.21 +/- 0.26   0.024% *  0.1426% (0.45   0.02   0.02) =   0.000%
          HN    ILE  103 - HA    ILE   89  15.78 +/- 0.58   0.003% *  0.2853% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2959 (7.92, 3.87, 59.74 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.98, residual support = 214.8:
      O   HN    ILE   89 - HA    ILE   89   2.87 +/- 0.14  99.993% * 98.8722% (0.76   5.98 214.84) = 100.000%  kept
          HN    CYS   21 - HA    ILE   89  15.05 +/- 0.36   0.005% *  0.3880% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ILE   89  18.64 +/- 0.46   0.001% *  0.4093% (0.95   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE   89  24.32 +/- 0.26   0.000% *  0.2449% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE   89  21.39 +/- 0.26   0.001% *  0.0856% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 0.946, support = 2.49, residual support = 7.83:
          HN    ALA   91 - HA    ILE   89   3.37 +/- 0.46  97.881% * 97.3080% (0.95   2.49   7.83) =  99.991%  kept
          HE3   TRP   87 - HA    ILE   89   7.34 +/- 0.21   1.151% *  0.5016% (0.61   0.02  13.62) =   0.006%
          HD1   TRP   87 - HA    ILE   89   7.62 +/- 0.16   0.951% *  0.3104% (0.38   0.02  13.62) =   0.003%
          HN    TRP   27 - HA    ILE   89  16.17 +/- 0.38   0.010% *  0.7982% (0.97   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE   89  17.48 +/- 0.27   0.006% *  0.7417% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE   89  23.02 +/- 0.27   0.001% *  0.3400% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2961 (0.10, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.739, support = 5.31, residual support = 214.8:
      O T QD1   ILE   89 - HB    ILE   89   3.18 +/- 0.03  89.963% * 99.4557% (0.74   5.31 214.84) =  99.986%  kept
          QG2   VAL   83 - HB    ILE   89   5.63 +/- 0.55   3.276% *  0.2785% (0.55   0.02   0.02) =   0.010%
        T QD1   ILE   89 - HB    VAL   43   5.79 +/- 0.50   2.817% *  0.0817% (0.16   0.02   0.02) =   0.003%
          QG2   VAL   83 - HB    VAL   43   6.66 +/- 0.46   1.205% *  0.0608% (0.12   0.02   0.02) =   0.001%
        T QD2   LEU   31 - HB    VAL   43   5.87 +/- 0.51   2.685% *  0.0221% (0.04   0.02   0.02) =   0.001%
          QD2   LEU   31 - HB    ILE   89  10.98 +/- 0.47   0.055% *  0.1011% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 214.8:
      O T HG13  ILE   89 - HB    ILE   89   2.33 +/- 0.04  99.794% * 99.9123% (0.78   4.97 214.84) = 100.000%  kept
        T HG13  ILE   89 - HB    VAL   43   6.72 +/- 0.59   0.206% *  0.0877% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2963 (7.92, 1.74, 34.76 ppm):
    10 chemical-shift based assignments, quality = 0.612, support = 5.55, residual support = 214.8:
      O   HN    ILE   89 - HB    ILE   89   2.68 +/- 0.21  99.859% * 98.4488% (0.61   5.55 214.84) = 100.000%  kept
          HN    CYS   21 - HB    VAL   43   9.27 +/- 0.41   0.066% *  0.0909% (0.16   0.02   0.02) =   0.000%
          HN    CYS   21 - HB    ILE   89  12.52 +/- 0.49   0.010% *  0.4161% (0.72   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    VAL   43   9.89 +/- 0.53   0.047% *  0.0774% (0.13   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    ILE   89  19.73 +/- 0.32   0.001% *  0.4389% (0.76   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    VAL   43  15.41 +/- 0.31   0.003% *  0.0959% (0.17   0.02   0.02) =   0.000%
          HN    SER   37 - HB    VAL   43  15.16 +/- 0.49   0.003% *  0.0574% (0.10   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    VAL   43  12.88 +/- 0.48   0.009% *  0.0201% (0.03   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE   89  22.66 +/- 0.50   0.000% *  0.2627% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE   89  19.25 +/- 0.55   0.001% *  0.0918% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2964 (5.61, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   ILE   89   8.76 +/- 0.25 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.90 A violated in 20 structures by 4.87 A, eliminated.
    Peak unassigned.
 
    Peak 2965 (7.75, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.934, support = 0.0197, residual support = 13.5:
          HD1   TRP   87 - QG2   ILE   89   6.14 +/- 0.13  97.580% * 23.9067% (0.95   0.02  13.62) =  98.747%  kept
          HN    TRP   27 - QG2   ILE   89  12.05 +/- 0.37   1.745% *  8.6206% (0.34   0.02   0.02) =   0.637%
          HN    LYS+ 102 - QG2   ILE   89  15.39 +/- 0.52   0.404% * 20.2366% (0.80   0.02   0.02) =   0.346%
          HN    THR   39 - QG2   ILE   89  18.04 +/- 0.27   0.154% * 23.3294% (0.92   0.02   0.02) =   0.152%
          HN    GLU-  36 - QG2   ILE   89  18.89 +/- 0.37   0.117% * 23.9067% (0.95   0.02   0.02) =   0.118%
    Distance limit 3.96 A violated in 20 structures by 2.18 A, eliminated.
    Peak unassigned.
 
    Peak 2966 (8.63, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 7.16, residual support = 39.8:
          HN    GLN   90 - QG2   ILE   89   1.93 +/- 0.28  99.982% * 99.1791% (0.61   7.16  39.83) = 100.000%  kept
          HN    SER   82 - QG2   ILE   89   8.99 +/- 0.19   0.015% *  0.4217% (0.92   0.02   0.02) =   0.000%
          HN    ILE  103 - QG2   ILE   89  13.35 +/- 0.38   0.001% *  0.1878% (0.41   0.02   0.02) =   0.000%
          HN    SER  117 - QG2   ILE   89  15.04 +/- 0.28   0.001% *  0.0705% (0.15   0.02   0.02) =   0.000%
          HN    GLY   16 - QG2   ILE   89  18.34 +/- 0.52   0.000% *  0.1410% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2967 (3.06, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 0.75, residual support = 10.9:
        T HB2   PHE   45 - QG2   ILE   89   2.41 +/- 0.26  99.955% * 95.9593% (0.97   0.75  10.92) =  99.999%  kept
          QE    LYS+ 111 - QG2   ILE   89  10.87 +/- 0.34   0.017% *  2.6456% (1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QG2   ILE   89   9.74 +/- 0.38   0.028% *  1.3950% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2968 (2.29, 0.63, 17.89 ppm):
    11 chemical-shift based assignments, quality = 0.154, support = 5.45, residual support = 39.8:
          QG    GLN   90 - QG2   ILE   89   3.76 +/- 0.06  94.648% * 89.7168% (0.15   5.46  39.83) =  99.929%  kept
          HG2   MET   92 - QG2   ILE   89   7.30 +/- 0.60   2.425% *  1.5480% (0.73   0.02   0.02) =   0.044%
          HB2   GLU-  79 - QG2   ILE   89   8.40 +/- 0.41   0.818% *  1.2069% (0.57   0.02   0.02) =   0.012%
          HB2   ASP-  44 - QG2   ILE   89   7.88 +/- 0.26   1.146% *  0.5927% (0.28   0.02   0.02) =   0.008%
          HG2   PRO   52 - QG2   ILE   89   8.66 +/- 0.25   0.649% *  0.4746% (0.22   0.02   0.02) =   0.004%
          QG    GLU- 114 - QG2   ILE   89  10.63 +/- 0.26   0.187% *  1.3790% (0.65   0.02   0.02) =   0.003%
          HB3   PHE   72 - QG2   ILE   89  11.87 +/- 0.81   0.106% *  0.4219% (0.20   0.02   0.02) =   0.001%
          QG    GLU-  15 - QG2   ILE   89  17.60 +/- 1.18   0.010% *  0.8001% (0.38   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG2   ILE   89  21.56 +/- 0.45   0.003% *  1.5480% (0.73   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE   89  18.79 +/- 0.95   0.007% *  0.5316% (0.25   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE   89  24.80 +/- 2.54   0.002% *  1.7806% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2969 (2.44, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 0.487, support = 0.75, residual support = 10.9:
        T HB3   PHE   45 - QG2   ILE   89   2.19 +/- 0.30  99.860% * 82.4453% (0.49   0.75  10.92) =  99.997%  kept
          HB3   ASP-  86 - QG2   ILE   89   9.01 +/- 0.15   0.031% *  4.5168% (1.00   0.02   0.02) =   0.002%
          HG3   MET   96 - QG2   ILE   89   7.95 +/- 0.33   0.062% *  1.5407% (0.34   0.02   0.02) =   0.001%
          HB    VAL  107 - QG2   ILE   89   8.57 +/- 0.28   0.040% *  0.6969% (0.15   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QG2   ILE   89  12.00 +/- 0.26   0.006% *  2.1985% (0.49   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QG2   ILE   89  15.37 +/- 0.41   0.001% *  3.4518% (0.76   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QG2   ILE   89  17.56 +/- 0.48   0.000% *  4.3590% (0.97   0.02   0.02) =   0.000%
          HG2   GLU-  36 - QG2   ILE   89  20.72 +/- 0.86   0.000% *  0.7910% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2970 (1.34, 0.63, 17.89 ppm):
    12 chemical-shift based assignments, quality = 0.472, support = 2.12, residual support = 11.4:
          QB    ALA   84 - QG2   ILE   89   3.19 +/- 0.18  91.829% * 35.8321% (0.49   1.88  11.83) =  91.571%  kept
          QB    ALA   88 - QG2   ILE   89   5.19 +/- 0.13   5.201% * 57.9272% (0.31   4.78   7.09) =   8.385%  kept
          HB3   LEU   80 - QG2   ILE   89   7.59 +/- 1.23   0.731% *  0.7778% (0.99   0.02   0.02) =   0.016%
          HB3   PRO   93 - QG2   ILE   89   6.36 +/- 0.13   1.535% *  0.3518% (0.45   0.02   0.02) =   0.015%
          HB3   ASP-  44 - QG2   ILE   89   7.72 +/- 0.34   0.495% *  0.6807% (0.87   0.02   0.02) =   0.009%
          HG2   LYS+ 111 - QG2   ILE   89  10.22 +/- 0.51   0.096% *  0.7573% (0.97   0.02   0.02) =   0.002%
          HG    LEU   98 - QG2   ILE   89  11.20 +/- 1.12   0.060% *  0.4760% (0.61   0.02   0.02) =   0.001%
          HB2   LEU   63 - QG2   ILE   89  12.37 +/- 0.35   0.029% *  0.7423% (0.95   0.02   0.02) =   0.001%
          HB2   LEU   31 - QG2   ILE   89  13.66 +/- 0.43   0.015% *  0.7778% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   ILE   89  17.22 +/- 0.25   0.004% *  0.5997% (0.76   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   ILE   89  19.91 +/- 0.38   0.002% *  0.5698% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   ILE   89  20.58 +/- 0.54   0.001% *  0.5076% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2971 (-0.07, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.69, residual support = 214.8:
      O T HG13  ILE   89 - QG2   ILE   89   2.58 +/- 0.07 100.000% *100.0000% (0.98   5.69 214.84) = 100.000%  kept
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2972 (0.10, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 6.31, residual support = 214.8:
        T QD1   ILE   89 - QG2   ILE   89   1.86 +/- 0.05  99.891% * 99.6797% (0.92   6.31 214.84) = 100.000%  kept
        T QG2   VAL   83 - QG2   ILE   89   5.93 +/- 0.40   0.104% *  0.2350% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   31 - QG2   ILE   89   9.57 +/- 0.29   0.006% *  0.0853% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2973 (0.10, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 5.54, residual support = 214.8:
      O T QD1   ILE   89 - HG12  ILE   89   2.14 +/- 0.01  99.639% * 99.3429% (0.92   5.54 214.84) =  99.999%  kept
          QG2   VAL   83 - HG12  ILE   89   5.57 +/- 0.33   0.339% *  0.2670% (0.69   0.02   0.02) =   0.001%
          QD2   LEU   31 - HG12  ILE   89  10.43 +/- 0.23   0.008% *  0.0969% (0.25   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG3   LYS+  99   9.95 +/- 1.04   0.012% *  0.0393% (0.10   0.02   0.02) =   0.000%
        T QD1   ILE   89 - HG3   LYS+  99  15.41 +/- 0.48   0.001% *  0.1455% (0.37   0.02   0.02) =   0.000%
          QG2   VAL   83 - HG3   LYS+  99  15.34 +/- 0.75   0.001% *  0.1083% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 214.8:
      O T HG13  ILE   89 - HG12  ILE   89   1.75 +/- 0.00 100.000% * 99.8423% (0.98   5.14 214.84) = 100.000%  kept
        T HG13  ILE   89 - HG3   LYS+  99  18.81 +/- 0.69   0.000% *  0.1577% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2975 (0.08, -0.08, 26.04 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 5.27, residual support = 214.8:
      O T QD1   ILE   89 - HG13  ILE   89   2.14 +/- 0.01  99.283% * 99.2755% (0.90   5.27 214.84) =  99.997%  kept
          QG2   VAL   83 - HG13  ILE   89   4.99 +/- 0.41   0.704% *  0.4197% (1.00   0.02   0.02) =   0.003%
          QD2   LEU   31 - HG13  ILE   89   9.50 +/- 0.32   0.013% *  0.3048% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2976 (0.64, -0.08, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.69, residual support = 214.8:
      O T QG2   ILE   89 - HG13  ILE   89   2.58 +/- 0.07  99.629% * 99.9065% (0.84   5.69 214.84) = 100.000%  kept
          QG1   VAL   83 - HG13  ILE   89   7.23 +/- 0.67   0.371% *  0.0935% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2977 (1.75, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 4.97, residual support = 214.8:
      O T HB    ILE   89 - HG13  ILE   89   2.33 +/- 0.04  99.776% * 98.8347% (0.49   4.97 214.84) =  99.999%  kept
        T HB    VAL   43 - HG13  ILE   89   6.72 +/- 0.59   0.206% *  0.3973% (0.49   0.02   0.02) =   0.001%
          QD    LYS+  81 - HG13  ILE   89  10.13 +/- 0.49   0.016% *  0.3356% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG13  ILE   89  17.22 +/- 0.60   0.001% *  0.3064% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG13  ILE   89  16.76 +/- 0.40   0.001% *  0.1260% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2978 (7.92, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.5, residual support = 214.8:
          HN    ILE   89 - HG13  ILE   89   3.32 +/- 0.15  99.943% * 98.7756% (0.76   5.50 214.84) = 100.000%  kept
          HN    CYS   21 - HG13  ILE   89  12.03 +/- 0.34   0.047% *  0.4212% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HG13  ILE   89  18.39 +/- 0.37   0.004% *  0.4443% (0.95   0.02   0.02) =   0.000%
          HN    SER   37 - HG13  ILE   89  20.68 +/- 0.37   0.002% *  0.2659% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG13  ILE   89  17.58 +/- 0.36   0.005% *  0.0929% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2979 (7.92, 1.22, 26.04 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 5.73, residual support = 214.8:
          HN    ILE   89 - HG12  ILE   89   1.96 +/- 0.10  99.985% * 98.2161% (0.76   5.73 214.84) = 100.000%  kept
          HN    SER   37 - HG3   LYS+  99   9.31 +/- 0.86   0.012% *  0.1031% (0.23   0.02   0.02) =   0.000%
          HN    CYS   21 - HG12  ILE   89  13.68 +/- 0.35   0.001% *  0.4026% (0.90   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG3   LYS+  99  12.68 +/- 1.03   0.002% *  0.0360% (0.08   0.02   0.02) =   0.000%
          HN    ILE  119 - HG12  ILE   89  18.97 +/- 0.41   0.000% *  0.4246% (0.95   0.02   0.02) =   0.000%
          HN    ILE  119 - HG3   LYS+  99  17.70 +/- 0.48   0.000% *  0.1722% (0.38   0.02   0.02) =   0.000%
          HN    CYS   21 - HG3   LYS+  99  19.68 +/- 1.15   0.000% *  0.1633% (0.36   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE   89  21.66 +/- 0.25   0.000% *  0.2541% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG12  ILE   89  18.65 +/- 0.25   0.000% *  0.0888% (0.20   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  21.18 +/- 0.54   0.000% *  0.1391% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2980 (-0.07, 0.09, 9.19 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.27, residual support = 214.8:
      O T HG13  ILE   89 - QD1   ILE   89   2.14 +/- 0.01 100.000% *100.0000% (0.98   5.27 214.84) = 100.000%  kept
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2981 (0.64, 0.09, 9.19 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.31, residual support = 214.8:
        T QG2   ILE   89 - QD1   ILE   89   1.86 +/- 0.05  99.968% * 99.9156% (0.84   6.31 214.84) = 100.000%  kept
        T QG1   VAL   83 - QD1   ILE   89   7.60 +/- 0.66   0.032% *  0.0844% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2982 (1.22, 0.09, 9.19 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 5.54, residual support = 214.8:
      O T HG12  ILE   89 - QD1   ILE   89   2.14 +/- 0.01  99.975% * 98.8058% (1.00   5.54 214.84) = 100.000%  kept
          HG3   LYS+ 111 - QD1   ILE   89  10.26 +/- 0.39   0.008% *  0.3506% (0.98   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QD1   ILE   89   9.61 +/- 0.31   0.012% *  0.1741% (0.49   0.02   0.02) =   0.000%
          HG    LEU   71 - QD1   ILE   89  14.73 +/- 0.65   0.001% *  0.1882% (0.53   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD1   ILE   89  15.41 +/- 0.48   0.001% *  0.1604% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD1   ILE   89  14.73 +/- 0.47   0.001% *  0.1220% (0.34   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD1   ILE   89  15.25 +/- 0.43   0.001% *  0.0995% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   ILE   89  15.31 +/- 0.26   0.001% *  0.0995% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2983 (1.75, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 5.31, residual support = 214.8:
      O T HB    ILE   89 - QD1   ILE   89   3.18 +/- 0.03  96.829% * 98.9083% (0.49   5.31 214.84) =  99.988%  kept
        T HB    VAL   43 - QD1   ILE   89   5.79 +/- 0.50   3.014% *  0.3723% (0.49   0.02   0.02) =   0.012%
          QD    LYS+  81 - QD1   ILE   89   9.70 +/- 0.43   0.127% *  0.3144% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD1   ILE   89  13.93 +/- 0.43   0.014% *  0.2870% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   89  13.59 +/- 0.33   0.016% *  0.1180% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.524, support = 0.0199, residual support = 0.0199:
        T HB3   MET   96 - QD1   ILE   89   4.07 +/- 0.43  99.720% * 15.0865% (0.53   0.02   0.02) =  99.650%  kept
          HB    VAL   18 - QD1   ILE   89  13.29 +/- 0.47   0.100% * 17.3922% (0.61   0.02   0.02) =   0.115%
          HB3   ARG+  54 - QD1   ILE   89  14.66 +/- 0.39   0.059% * 24.8734% (0.87   0.02   0.02) =   0.098%
          HB2   LEU   40 - QD1   ILE   89  14.49 +/- 0.39   0.057% * 25.7165% (0.90   0.02   0.02) =   0.097%
          HB2   LEU   67 - QD1   ILE   89  14.56 +/- 0.24   0.058% *  9.7812% (0.34   0.02   0.02) =   0.037%
          HB3   GLU-  14 - QD1   ILE   89  21.31 +/- 1.15   0.006% *  7.1501% (0.25   0.02   0.02) =   0.003%
    Distance limit 3.92 A violated in 8 structures by 0.22 A, eliminated.
    Peak unassigned.
 
    Peak 2985 (2.49, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.56, residual support = 13.6:
        T HB3   TRP   87 - QD1   ILE   89   3.35 +/- 0.33  95.484% * 99.0909% (0.76   3.56  13.62) =  99.995%  kept
          HG3   MET   96 - QD1   ILE   89   5.76 +/- 0.40   4.503% *  0.0985% (0.14   0.02   0.02) =   0.005%
          HG3   GLN  116 - QD1   ILE   89  15.77 +/- 0.27   0.010% *  0.6081% (0.84   0.02   0.02) =   0.000%
          HG2   GLU-  36 - QD1   ILE   89  19.47 +/- 0.79   0.003% *  0.2024% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2986 (3.90, 0.09, 9.19 ppm):
    2 chemical-shift based assignments, quality = 0.495, support = 0.02, residual support = 0.02:
          HA    PHE   60 - QD1   ILE   89  11.06 +/- 0.25  56.420% * 62.4025% (0.57   0.02   0.02) =  68.242%  kept
          HB    THR  118 - QD1   ILE   89  11.55 +/- 0.31  43.580% * 37.5975% (0.34   0.02   0.02) =  31.758%  kept
    Distance limit 3.23 A violated in 20 structures by 6.82 A, eliminated.
    Peak unassigned.
 
    Peak 2987 (6.84, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 1.8, residual support = 10.9:
          QD    PHE   45 - QD1   ILE   89   2.97 +/- 0.15  99.987% * 94.5935% (0.45   1.80  10.92) = 100.000%  kept
          HD2   HIS  122 - QD1   ILE   89  14.08 +/- 0.31   0.009% *  2.3173% (0.99   0.02   0.02) =   0.000%
          HE22  GLN  116 - QD1   ILE   89  17.20 +/- 0.69   0.003% *  2.2917% (0.98   0.02   0.02) =   0.000%
          HE22  GLN   17 - QD1   ILE   89  20.20 +/- 0.95   0.001% *  0.7975% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2988 (7.69, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.652, support = 2.05, residual support = 13.6:
          HN    TRP   87 - QD1   ILE   89   4.91 +/- 0.30  20.694% * 80.9389% (0.97   2.30  13.62) =  54.490%  kept
          HE3   TRP   87 - QD1   ILE   89   3.90 +/- 0.26  79.288% * 17.6428% (0.28   1.74  13.62) =  45.509%  kept
          HN    GLN   17 - QD1   ILE   89  17.29 +/- 0.35   0.011% *  0.7288% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - QD1   ILE   89  18.47 +/- 0.81   0.008% *  0.6894% (0.95   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2989 (7.92, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.87, residual support = 214.8:
          HN    ILE   89 - QD1   ILE   89   3.36 +/- 0.24  99.884% * 98.8520% (0.76   5.87 214.84) = 100.000%  kept
          HN    CYS   21 - QD1   ILE   89  11.27 +/- 0.30   0.078% *  0.3949% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - QD1   ILE   89  13.82 +/- 0.32   0.023% *  0.4166% (0.95   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE   89  17.86 +/- 0.24   0.005% *  0.2493% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE   89  15.71 +/- 0.24   0.010% *  0.0872% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2990 (8.61, 2.27, 34.07 ppm):
    3 chemical-shift based assignments, quality = 0.685, support = 5.68, residual support = 89.7:
          HN    GLN   90 - QG    GLN   90   2.80 +/- 0.48  99.804% * 99.2285% (0.69   5.68  89.73) =  99.999%  kept
          HN    GLY  109 - QG    GLN   90   8.78 +/- 1.61   0.193% *  0.3494% (0.69   0.02   0.02) =   0.001%
          HN    ILE  103 - QG    GLN   90  17.09 +/- 0.84   0.003% *  0.4221% (0.83   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2991 (8.62, 1.87, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.59, residual support = 89.7:
      O   HN    GLN   90 - HB3   GLN   90   3.66 +/- 0.17  99.221% * 99.4170% (0.83   5.59  89.73) =  99.999%  kept
          HN    SER   82 - HB3   GLN   90   9.74 +/- 1.52   0.389% *  0.1610% (0.37   0.02   0.02) =   0.001%
          HN    GLY  109 - HB3   GLN   90   9.97 +/- 1.02   0.386% *  0.0999% (0.23   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLN   90  19.92 +/- 0.82   0.004% *  0.3221% (0.75   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2992 (8.04, 2.15, 31.73 ppm):
    8 chemical-shift based assignments, quality = 0.161, support = 3.9, residual support = 54.1:
      O   HN    GLU-  79 - HB3   GLU-  79   3.26 +/- 0.33  97.944% * 91.9750% (0.16   3.90  54.15) =  99.965%  kept
          HN    SER   85 - HB2   GLN   90   7.13 +/- 0.98   1.321% *  1.7900% (0.61   0.02   0.02) =   0.026%
          HN    SER   85 - HB3   GLU-  79   9.38 +/- 0.32   0.206% *  1.2954% (0.44   0.02   0.02) =   0.003%
          HN    GLU-  79 - HB2   GLN   90   8.85 +/- 1.60   0.370% *  0.6512% (0.22   0.02   0.02) =   0.003%
          HN    THR   94 - HB2   GLN   90  10.12 +/- 0.40   0.127% *  1.6089% (0.55   0.02   0.02) =   0.002%
          HN    THR   94 - HB3   GLU-  79  13.15 +/- 0.46   0.025% *  1.1643% (0.40   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  16.60 +/- 0.72   0.007% *  0.6362% (0.22   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  22.77 +/- 0.70   0.001% *  0.8791% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 4.26, residual support = 54.1:
      O T HA    GLU-  79 - HB3   GLU-  79   2.74 +/- 0.11  86.876% * 92.7487% (0.57   4.26  54.15) =  99.920%  kept
          HB    THR   77 - HB2   GLN   90   4.17 +/- 1.43  12.056% *  0.4911% (0.64   0.02   0.02) =   0.073%
          HA    SER   85 - HB2   GLN   90   6.05 +/- 0.62   0.881% *  0.4911% (0.64   0.02   0.02) =   0.005%
          HB    THR   77 - HB3   GLU-  79   8.55 +/- 0.39   0.097% *  0.3554% (0.46   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HB2   GLN   90  10.14 +/- 1.91   0.050% *  0.6011% (0.78   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  11.66 +/- 0.26   0.015% *  0.3554% (0.46   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  13.44 +/- 0.31   0.006% *  0.4453% (0.58   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  14.11 +/- 0.67   0.005% *  0.5320% (0.69   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  13.26 +/- 0.43   0.007% *  0.3223% (0.42   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  17.58 +/- 0.84   0.001% *  0.3850% (0.50   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  17.61 +/- 0.47   0.001% *  0.3472% (0.45   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  17.11 +/- 0.76   0.002% *  0.2513% (0.33   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  20.01 +/- 0.70   0.001% *  0.5500% (0.72   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  20.96 +/- 0.50   0.000% *  0.3980% (0.52   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  23.78 +/- 0.34   0.000% *  0.4198% (0.55   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  29.22 +/- 4.70   0.000% *  0.3049% (0.40   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  27.70 +/- 0.41   0.000% *  0.5801% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  38.20 +/- 4.13   0.000% *  0.4213% (0.55   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 0.663, support = 0.461, residual support = 0.37:
          QB    ALA   88 - QG    GLN   90   5.53 +/- 0.79  19.039% * 90.7671% (0.62   0.56   0.45) =  82.121%  kept
          QG2   THR   77 - QG    GLN   90   3.94 +/- 0.82  80.861% *  4.6507% (0.88   0.02   0.02) =  17.871%  kept
          QG2   THR   23 - QG    GLN   90  12.07 +/- 1.80   0.097% *  1.7807% (0.34   0.02   0.02) =   0.008%
          HG2   LYS+  99 - QG    GLN   90  22.01 +/- 0.73   0.002% *  1.1831% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG    GLN   90  25.16 +/- 0.96   0.001% *  1.6184% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 3 structures by 0.06 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2995 (1.53, 2.27, 34.07 ppm):
    10 chemical-shift based assignments, quality = 0.319, support = 0.0188, residual support = 0.0188:
          QG    LYS+  81 - QG    GLN   90   5.53 +/- 2.23  91.275% *  3.4351% (0.18   0.02   0.02) =  72.498%  kept
          HB3   LYS+ 111 - QG    GLN   90  13.48 +/- 1.73   5.296% * 17.3580% (0.90   0.02   0.02) =  21.255%  kept
          HD3   LYS+  74 - QG    GLN   90  12.62 +/- 1.42   0.927% * 17.3194% (0.89   0.02   0.02) =   3.713%
          HG2   LYS+ 106 - QG    GLN   90  13.72 +/- 1.34   1.996% *  2.6782% (0.14   0.02   0.02) =   1.236%
          HG    LEU  104 - QG    GLN   90  19.68 +/- 0.84   0.128% * 17.0143% (0.88   0.02   0.02) =   0.504%
          HB3   LYS+ 121 - QG    GLN   90  21.12 +/- 1.10   0.107% * 17.0143% (0.88   0.02   0.02) =   0.422%
          QD    LYS+  66 - QG    GLN   90  22.14 +/- 1.02   0.061% *  9.8273% (0.51   0.02   0.02) =   0.140%
          HG2   LYS+  33 - QG    GLN   90  21.39 +/- 1.18   0.052% *  8.4490% (0.44   0.02   0.02) =   0.101%
          HD2   LYS+ 121 - QG    GLN   90  21.17 +/- 1.44   0.110% *  3.8645% (0.20   0.02   0.02) =   0.098%
          HG2   LYS+  65 - QG    GLN   90  22.46 +/- 0.85   0.048% *  3.0399% (0.16   0.02   0.02) =   0.034%
    Distance limit 4.14 A violated in 12 structures by 1.38 A, eliminated.
    Peak unassigned.
 
    Peak 2996 (2.26, 1.89, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 2.96, residual support = 61.8:
      O   HG3   MET   92 - HB2   MET   92   2.60 +/- 0.15  99.582% * 94.9153% (0.73   2.96  61.77) =  99.997%  kept
        T QG    GLN   90 - HB2   MET   92   7.72 +/- 1.40   0.399% *  0.7079% (0.80   0.02   0.02) =   0.003%
          HB2   ASP-  44 - HB2   MET   92  12.79 +/- 0.62   0.008% *  0.5362% (0.61   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   MET   92  16.06 +/- 0.56   0.002% *  0.8821% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   MET   92  13.32 +/- 0.85   0.007% *  0.1548% (0.18   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   MET   92  18.42 +/- 0.91   0.001% *  0.6419% (0.73   0.02   0.02) =   0.000%
        T HB2   ASP- 105 - HB2   MET   92  16.59 +/- 0.64   0.002% *  0.3016% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   MET   92  26.71 +/- 0.74   0.000% *  0.7384% (0.84   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   MET   92  25.35 +/- 1.15   0.000% *  0.4303% (0.49   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   MET   92  26.98 +/- 1.20   0.000% *  0.5719% (0.65   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   MET   92  27.94 +/- 0.57   0.000% *  0.1196% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 61.8:
      O   HN    MET   92 - HB2   MET   92   3.12 +/- 0.32  99.752% * 98.5249% (0.92   3.65  61.77) =  99.999%  kept
          HN    THR   46 - HB2   MET   92   9.40 +/- 0.55   0.160% *  0.5829% (1.00   0.02   0.02) =   0.001%
          HN    LYS+ 112 - HB2   MET   92  10.46 +/- 0.52   0.085% *  0.1624% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   MET   92  17.31 +/- 0.61   0.004% *  0.4678% (0.80   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   MET   92  39.06 +/- 4.36   0.000% *  0.2619% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 61.8:
      O T HA    MET   92 - HB2   MET   92   2.96 +/- 0.06  99.999% * 98.9770% (0.61   3.87  61.77) = 100.000%  kept
          HA    HIS  122 - HB2   MET   92  22.73 +/- 0.48   0.001% *  0.6760% (0.80   0.02   0.02) =   0.000%
          HA    VAL   41 - HB2   MET   92  20.49 +/- 0.34   0.001% *  0.3471% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2999 (2.26, 1.69, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 3.26, residual support = 61.8:
      O   HG3   MET   92 - HB3   MET   92   2.96 +/- 0.21  99.654% * 95.3676% (0.73   3.26  61.77) =  99.998%  kept
          QG    GLN   90 - HB3   MET   92   8.52 +/- 1.14   0.283% *  0.6449% (0.80   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HB3   MET   92  11.54 +/- 0.52   0.031% *  0.4885% (0.61   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   MET   92  14.52 +/- 0.57   0.008% *  0.8036% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   92  13.15 +/- 1.03   0.014% *  0.1411% (0.18   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   MET   92  17.19 +/- 0.83   0.003% *  0.5848% (0.73   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   MET   92  15.48 +/- 0.63   0.006% *  0.2747% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   MET   92  26.24 +/- 0.79   0.000% *  0.6727% (0.84   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   MET   92  24.28 +/- 1.22   0.000% *  0.3920% (0.49   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   MET   92  26.03 +/- 1.22   0.000% *  0.5210% (0.65   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   92  27.09 +/- 0.42   0.000% *  0.1090% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3000 (4.89, 1.69, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.19, residual support = 61.8:
      O T HA    MET   92 - HB3   MET   92   2.81 +/- 0.12  99.999% * 99.0556% (0.61   4.19  61.77) = 100.000%  kept
          HA    HIS  122 - HB3   MET   92  21.25 +/- 0.32   0.001% *  0.6240% (0.80   0.02   0.02) =   0.000%
          HA    VAL   41 - HB3   MET   92  19.49 +/- 0.27   0.001% *  0.3204% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 61.8:
      O T HA    MET   92 - HG2   MET   92   2.57 +/- 0.25  99.999% * 98.4188% (0.61   2.49  61.77) = 100.000%  kept
          HA    HIS  122 - HG2   MET   92  22.44 +/- 0.70   0.000% *  1.0448% (0.80   0.02   0.02) =   0.000%
          HA    VAL   41 - HG2   MET   92  21.18 +/- 0.68   0.000% *  0.5364% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.45 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 = 0.312, support = 0.0198, residual support = 2.54:
          HB2   SER   37 - QG2   THR   39   4.39 +/- 0.60  96.097% * 10.7941% (0.30   0.02   2.73) =  92.751%  kept
          HA1   GLY   16 - QG2   THR   39   8.15 +/- 0.49   3.274% * 21.7367% (0.60   0.02   0.02) =   6.363%  kept
          HA    LYS+  66 - QG2   THR   39  11.04 +/- 0.58   0.561% * 16.6488% (0.46   0.02   0.02) =   0.835%
          HA1   GLY   16 - QG2   THR   23  18.92 +/- 0.49   0.018% * 12.1974% (0.33   0.02   0.02) =   0.020%
          HB2   SER   37 - QG2   THR   23  18.01 +/- 0.72   0.029% *  6.0571% (0.17   0.02   0.02) =   0.016%
          HA    LYS+  66 - QB    ALA   91  22.55 +/- 0.72   0.007% *  7.8619% (0.22   0.02   0.02) =   0.005%
          HA    LYS+  66 - QG2   THR   23  23.30 +/- 0.40   0.005% *  9.3424% (0.26   0.02   0.02) =   0.005%
          HA1   GLY   16 - QB    ALA   91  23.72 +/- 0.44   0.005% * 10.2645% (0.28   0.02   0.02) =   0.004%
          HB2   SER   37 - QB    ALA   91  25.25 +/- 0.81   0.004% *  5.0972% (0.14   0.02   0.02) =   0.002%
    Distance limit 3.76 A violated in 15 structures by 0.64 A, eliminated.
    Peak unassigned.
 
    Peak 3003 (8.45, 1.69, 34.43 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 3.97, residual support = 61.8:
      O   HN    MET   92 - HB3   MET   92   3.97 +/- 0.16  98.878% * 99.2669% (0.92   3.97  61.77) =  99.996%  kept
          HN    THR   46 - HB3   MET   92   8.84 +/- 0.67   0.871% *  0.4136% (0.76   0.02   0.02) =   0.004%
          HN    ASP- 113 - HB3   MET   92  11.13 +/- 0.83   0.232% *  0.1349% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   MET   92  16.48 +/- 0.69   0.019% *  0.1846% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 0.736, support = 0.0194, residual support = 0.0194:
          HA    THR   46 - HB3   MET   92   6.99 +/- 0.81  71.265% * 16.4223% (0.80   0.02   0.02) =  90.402%  kept
          HA    GLN   90 - HB3   MET   92   8.58 +/- 0.36  23.930% *  3.5917% (0.18   0.02   0.02) =   6.639%  kept
          HA    PHE   55 - HB3   MET   92  11.85 +/- 0.61   3.248% *  6.3300% (0.31   0.02   0.02) =   1.588%
          HA    VAL   42 - HB3   MET   92  15.48 +/- 0.22   0.657% * 18.3930% (0.90   0.02   0.02) =   0.934%
          HA    PRO   58 - HB3   MET   92  15.31 +/- 0.56   0.685% *  5.1139% (0.25   0.02   0.02) =   0.271%
          HA    GLN   17 - HB3   MET   92  21.83 +/- 0.61   0.082% * 17.7900% (0.87   0.02   0.02) =   0.112%
          HA    LEU   40 - HB3   MET   92  21.91 +/- 0.23   0.082% *  3.1644% (0.15   0.02   0.02) =   0.020%
          HA    SER   37 - HB3   MET   92  30.13 +/- 0.37   0.012% * 17.7900% (0.87   0.02   0.02) =   0.017%
          HA    GLU-  15 - HB3   MET   92  25.85 +/- 0.82   0.030% *  5.7022% (0.28   0.02   0.02) =   0.013%
          HA    SER   13 - HB3   MET   92  31.84 +/- 2.23   0.010% *  5.7022% (0.28   0.02   0.02) =   0.004%
    Distance limit 4.65 A violated in 19 structures by 2.06 A, eliminated.
    Peak unassigned.
 
    Peak 3005 (4.91, 2.24, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 61.8:
      O T HA    MET   92 - HG3   MET   92   2.57 +/- 0.40  99.994% * 99.5972% (0.99   3.97  61.77) = 100.000%  kept
          HA    LYS+  74 - HG3   MET   92  15.35 +/- 0.89   0.006% *  0.2465% (0.49   0.02   0.02) =   0.000%
          HA    HIS  122 - HG3   MET   92  23.66 +/- 0.48   0.000% *  0.1563% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3006 (8.45, 2.24, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 3.74, residual support = 61.8:
          HN    MET   92 - HG3   MET   92   3.35 +/- 0.34  99.419% * 99.2221% (0.92   3.74  61.77) =  99.998%  kept
          HN    THR   46 - HG3   MET   92  10.02 +/- 0.86   0.524% *  0.4388% (0.76   0.02   0.02) =   0.002%
          HN    ASP- 113 - HG3   MET   92  12.40 +/- 1.09   0.050% *  0.1432% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  74 - HG3   MET   92  18.14 +/- 0.93   0.007% *  0.1959% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.77 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 = 0.408, support = 0.0198, residual support = 0.0198:
          QD    PHE   45 - HB2   PRO   93   6.93 +/- 0.27  94.301% * 67.4545% (0.41   0.02   0.02) =  99.152%  kept
          HN    LYS+  65 - HB2   PRO   93  14.23 +/- 0.35   1.303% * 25.3164% (0.15   0.02   0.02) =   0.514%
          QD    PHE   45 - HG3   GLN   30  11.92 +/- 0.59   3.876% *  5.2564% (0.03   0.02   0.02) =   0.318%
          HN    LYS+  65 - HG3   GLN   30  16.64 +/- 0.72   0.521% *  1.9728% (0.01   0.02   0.02) =   0.016%
    Distance limit 4.74 A violated in 20 structures by 2.19 A, eliminated.
    Peak unassigned.
 
    Peak 3008 (8.03, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.27, residual support = 15.3:
      O   HN    THR   94 - HB2   PRO   93   3.85 +/- 0.16  99.785% * 99.4435% (1.00   4.27  15.32) = 100.000%  kept
          HN    GLU-  79 - HB2   PRO   93  12.01 +/- 0.47   0.113% *  0.3386% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   PRO   93  14.79 +/- 0.25   0.032% *  0.1439% (0.31   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG3   GLN   30  14.66 +/- 0.65   0.035% *  0.0264% (0.06   0.02   0.02) =   0.000%
          HN    THR   94 - HG3   GLN   30  16.60 +/- 0.70   0.016% *  0.0363% (0.08   0.02   0.02) =   0.000%
          HN    SER   85 - HG3   GLN   30  16.30 +/- 0.77   0.019% *  0.0112% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3009 (6.88, 1.81, 24.81 ppm):
    2 chemical-shift based assignments, quality = 0.406, support = 0.0198, residual support = 0.0198:
          QD    PHE   45 - HG2   PRO   93   8.61 +/- 0.20  96.856% * 72.7108% (0.41   0.02   0.02) =  98.796%  kept
          HN    LYS+  65 - HG2   PRO   93  15.31 +/- 0.52   3.144% * 27.2892% (0.15   0.02   0.02) =   1.204%
    Distance limit 4.57 A violated in 20 structures by 4.04 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 = 126.7:
      O   HB2   PRO   93 - HG3   PRO   93   2.31 +/- 0.00  99.935% * 97.5185% (0.84   5.30 126.70) = 100.000%  kept
          HB2   ARG+  54 - HG3   PRO   93   8.24 +/- 0.47   0.053% *  0.4394% (1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   PRO   93  10.79 +/- 0.33   0.010% *  0.4394% (1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   93  14.60 +/- 0.39   0.002% *  0.3950% (0.90   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   93  20.76 +/- 0.41   0.000% *  0.3950% (0.90   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   PRO   93  20.75 +/- 0.76   0.000% *  0.2671% (0.61   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   PRO   93  22.00 +/- 0.36   0.000% *  0.1098% (0.25   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   93  27.65 +/- 0.21   0.000% *  0.3679% (0.84   0.02   0.02) =   0.000%
          HG2   MET   11 - HG3   PRO   93  34.05 +/- 3.44   0.000% *  0.0680% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 126.7:
      O T HG2   PRO   93 - HG3   PRO   93   1.75 +/- 0.00  99.588% * 97.1713% (0.99   3.97 126.70) =  99.999%  kept
          HB3   PRO   52 - HG3   PRO   93   4.45 +/- 0.31   0.411% *  0.1854% (0.38   0.02   4.02) =   0.001%
          QB    LYS+  66 - HG3   PRO   93  15.46 +/- 0.39   0.000% *  0.4674% (0.95   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HG3   PRO   93  15.13 +/- 0.36   0.000% *  0.3776% (0.76   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   PRO   93  18.93 +/- 0.37   0.000% *  0.3957% (0.80   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   93  18.72 +/- 0.37   0.000% *  0.3196% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   PRO   93  20.37 +/- 0.61   0.000% *  0.3588% (0.73   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   PRO   93  21.74 +/- 0.38   0.000% *  0.4286% (0.87   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   PRO   93  19.60 +/- 0.50   0.000% *  0.1854% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   PRO   93  20.14 +/- 0.66   0.000% *  0.1100% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 126.7:
      O T HG3   PRO   93 - HG2   PRO   93   1.75 +/- 0.00  99.495% * 96.5274% (0.95   3.97 126.70) =  99.998%  kept
          HB3   MET   92 - HG2   PRO   93   4.31 +/- 0.36   0.499% *  0.4748% (0.92   0.02   1.72) =   0.002%
        T HD2   LYS+ 111 - HG2   PRO   93   9.50 +/- 0.25   0.004% *  0.5041% (0.98   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   PRO   93  12.42 +/- 0.88   0.001% *  0.3119% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   PRO   93  15.36 +/- 0.59   0.000% *  0.4118% (0.80   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   PRO   93  19.62 +/- 0.44   0.000% *  0.4963% (0.97   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   PRO   93  16.47 +/- 0.97   0.000% *  0.1145% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   PRO   93  16.19 +/- 0.34   0.000% *  0.1018% (0.20   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   PRO   93  17.19 +/- 0.46   0.000% *  0.1430% (0.28   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   PRO   93  21.10 +/- 1.53   0.000% *  0.4118% (0.80   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   PRO   93  20.44 +/- 0.60   0.000% *  0.2912% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   PRO   93  26.54 +/- 0.44   0.000% *  0.2114% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 126.7:
      O   HD3   PRO   93 - HG3   PRO   93   2.30 +/- 0.00  93.537% * 97.7036% (0.97   3.97 126.70) =  99.969%  kept
          HB3   CYS   53 - HG3   PRO   93   3.75 +/- 0.36   5.861% *  0.4262% (0.84   0.02   0.02) =   0.027%
          QB    PHE   55 - HG3   PRO   93   5.45 +/- 0.25   0.549% *  0.5091% (1.00   0.02   0.02) =   0.003%
          HB2   PHE   59 - HG3   PRO   93   8.68 +/- 0.78   0.038% *  0.4710% (0.92   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG3   PRO   93   9.97 +/- 0.38   0.014% *  0.3899% (0.76   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   PRO   93  20.80 +/- 0.60   0.000% *  0.5001% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 126.7:
      O   HD2   PRO   93 - HG3   PRO   93   2.87 +/- 0.00  99.969% * 97.2575% (0.25   3.97 126.70) =  99.999%  kept
          HA    THR   77 - HG3   PRO   93  11.22 +/- 0.58   0.029% *  1.8147% (0.92   0.02   0.02) =   0.001%
          HB2   TRP   27 - HG3   PRO   93  19.74 +/- 0.50   0.001% *  0.4902% (0.25   0.02   0.02) =   0.000%
          HA    LEU   31 - HG3   PRO   93  22.00 +/- 0.46   0.000% *  0.4377% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3017 (6.89, 1.68, 24.81 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - HG3   PRO   93  15.36 +/- 0.48 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.61 A violated in 20 structures by 10.75 A, eliminated.
    Peak unassigned.
 
    Peak 3018 (8.75, 3.58, 50.24 ppm):
    4 chemical-shift based assignments, quality = 0.712, support = 2.96, residual support = 6.74:
          HN    ALA  110 - HD2   PRO   93   2.32 +/- 0.33  99.919% * 99.2027% (0.71   2.96   6.74) = 100.000%  kept
          HN    PHE   45 - HD2   PRO   93   8.25 +/- 0.17   0.073% *  0.5718% (0.61   0.02   0.02) =   0.000%
          HN    ASP-  44 - HD2   PRO   93  11.70 +/- 0.21   0.008% *  0.1056% (0.11   0.02   0.02) =   0.000%
          HN    GLU-  25 - HD2   PRO   93  23.34 +/- 0.51   0.000% *  0.1199% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3019 (4.60, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.382, support = 0.987, residual support = 0.987:
          HA1   GLY  109 - HD2   PRO   93   3.18 +/- 0.29  98.994% * 88.9861% (0.38   0.99   0.99) =  99.981%  kept
          HA    CYS   50 - HD2   PRO   93   7.04 +/- 0.24   0.940% *  1.6680% (0.35   0.02   0.02) =   0.018%
          HA    TRP   49 - HD2   PRO   93  11.27 +/- 0.15   0.059% *  2.3539% (0.50   0.02   0.02) =   0.002%
          HA    CYS   21 - HD2   PRO   93  19.57 +/- 0.38   0.002% *  2.9726% (0.63   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD2   PRO   93  22.40 +/- 0.27   0.001% *  3.4193% (0.72   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   PRO   93  17.45 +/- 0.40   0.004% *  0.6001% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3020 (1.43, 3.58, 50.24 ppm):
    13 chemical-shift based assignments, quality = 0.687, support = 2.31, residual support = 6.74:
          QB    ALA  110 - HD2   PRO   93   2.10 +/- 0.40  99.961% * 93.8304% (0.69   2.31   6.74) = 100.000%  kept
          QB    ALA   61 - HD2   PRO   93  12.15 +/- 0.34   0.005% *  0.8566% (0.72   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   PRO   93   9.12 +/- 0.49   0.027% *  0.1504% (0.13   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   PRO   93  17.23 +/- 1.13   0.001% *  0.8285% (0.70   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   PRO   93  15.20 +/- 0.39   0.002% *  0.2650% (0.22   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   PRO   93  17.26 +/- 0.54   0.001% *  0.6874% (0.58   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   PRO   93  17.86 +/- 0.56   0.001% *  0.5207% (0.44   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   PRO   93  16.64 +/- 0.92   0.001% *  0.4179% (0.35   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   PRO   93  19.61 +/- 0.85   0.000% *  0.8121% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HD2   PRO   93  18.58 +/- 0.80   0.001% *  0.2928% (0.25   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   PRO   93  21.69 +/- 0.34   0.000% *  0.7699% (0.65   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   PRO   93  19.65 +/- 0.86   0.000% *  0.1504% (0.13   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   PRO   93  24.31 +/- 1.49   0.000% *  0.4179% (0.35   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3021 (1.42, 3.34, 50.24 ppm):
    24 chemical-shift based assignments, quality = 0.778, support = 0.75, residual support = 6.73:
          QB    ALA  110 - HD3   PRO   93   2.97 +/- 0.30  89.813% * 80.0244% (0.78   0.75   6.74) =  99.972%  kept
          HB3   LEU   67 - HD3   PRO   68   4.72 +/- 0.10   6.804% *  0.2131% (0.08   0.02  17.03) =   0.020%
          QG    LYS+  66 - HD3   PRO   68   5.26 +/- 0.46   3.208% *  0.1351% (0.05   0.02   0.02) =   0.006%
          QB    ALA   61 - HD3   PRO   93  11.81 +/- 0.33   0.025% *  1.5915% (0.58   0.02   0.02) =   0.001%
          QB    ALA   61 - HD3   PRO   68   9.67 +/- 0.32   0.079% *  0.2832% (0.10   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   PRO   93  14.37 +/- 0.40   0.008% *  1.9699% (0.72   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   PRO   93  16.11 +/- 0.97   0.004% *  2.3272% (0.85   0.02   0.02) =   0.000%
          HG    LEU   80 - HD3   PRO   93  16.64 +/- 1.11   0.004% *  2.0549% (0.75   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD3   PRO   68  13.51 +/- 0.58   0.012% *  0.4042% (0.15   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HD3   PRO   68  13.95 +/- 0.97   0.010% *  0.3657% (0.13   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   93  17.80 +/- 0.43   0.002% *  1.2943% (0.47   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HD3   PRO   93  19.82 +/- 0.76   0.001% *  2.0549% (0.75   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD3   PRO   93  17.61 +/- 0.59   0.002% *  0.7593% (0.28   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD3   PRO   93  21.27 +/- 0.34   0.001% *  2.2710% (0.83   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD3   PRO   93  20.00 +/- 0.87   0.001% *  1.1975% (0.44   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   68  15.44 +/- 0.17   0.005% *  0.2304% (0.08   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   93  17.76 +/- 0.46   0.002% *  0.4308% (0.16   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   PRO   68  17.18 +/- 0.37   0.003% *  0.3506% (0.13   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   68  15.29 +/- 1.60   0.007% *  0.1217% (0.04   0.02   0.02) =   0.000%
          QB    ALA  110 - HD3   PRO   68  17.95 +/- 0.29   0.002% *  0.3798% (0.14   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   68  14.89 +/- 0.54   0.006% *  0.0767% (0.03   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   93  27.62 +/- 2.20   0.000% *  0.6840% (0.25   0.02   0.02) =   0.000%
          HG    LEU   80 - HD3   PRO   68  24.23 +/- 1.11   0.000% *  0.3657% (0.13   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   PRO   68  24.77 +/- 1.03   0.000% *  0.4142% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 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   2.37 +/- 0.27 100.000% *100.0000% (0.28   2.00   5.50) = 100.000%  kept
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3023 (0.10, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.771, support = 2.0, residual support = 5.5:
          QD1   ILE   89 - HB    THR   94   2.30 +/- 0.20  99.954% * 98.9959% (0.77   2.00   5.50) = 100.000%  kept
          QG2   VAL   83 - HB    THR   94   8.61 +/- 0.41   0.040% *  0.7366% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    THR   94  11.68 +/- 0.33   0.006% *  0.2674% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3024 (3.06, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 2.96, residual support = 27.2:
        T HB2   PHE   45 - HB    THR   94   2.61 +/- 0.26  99.973% * 98.9433% (0.81   2.96  27.20) = 100.000%  kept
          QE    LYS+ 111 - HB    THR   94  11.19 +/- 0.36   0.019% *  0.6919% (0.83   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB    THR   94  12.80 +/- 0.46   0.008% *  0.3648% (0.44   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3025 (5.59, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.146, support = 0.02, residual support = 0.02:
          HA    LEU   73 - HB    THR   94  12.98 +/- 0.37 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 3.28 A violated in 20 structures by 9.70 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 = 25.2:
      O   HN    THR   94 - HB    THR   94   2.64 +/- 0.14  99.955% * 99.3309% (0.83   3.08  25.22) = 100.000%  kept
          HN    GLU-  79 - HB    THR   94  11.49 +/- 0.31   0.016% *  0.4695% (0.61   0.02   0.02) =   0.000%
          HN    SER   85 - HB    THR   94  10.32 +/- 0.34   0.029% *  0.1996% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3027 (8.74, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.806, support = 3.3, residual support = 27.2:
          HN    PHE   45 - HB    THR   94   3.94 +/- 0.25  97.584% * 99.4994% (0.81   3.30  27.20) =  99.988%  kept
          HN    ALA  110 - HB    THR   94   7.43 +/- 0.35   2.416% *  0.5006% (0.67   0.02   0.02) =   0.012%
    Distance limit 4.64 A violated in 0 structures by 0.00 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   4.85 +/- 0.27 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.84 A violated in 20 structures by 1.02 A, eliminated.
    Peak unassigned.
 
    Peak 3030 (9.88, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.09, residual support = 13.7:
          HN    PHE   95 - QG2   THR   94   2.59 +/- 0.21 100.000% *100.0000% (0.97   4.09  13.67) = 100.000%  kept
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3031 (4.33, 5.96, 55.53 ppm):
    6 chemical-shift based assignments, quality = 0.662, support = 0.0192, residual support = 0.0192:
          HA    TRP   87 - HA    PHE   95  10.68 +/- 0.37  40.454% * 25.3593% (0.76   0.02   0.02) =  55.438%  kept
          HA    LEU  104 - HA    PHE   95  12.49 +/- 0.17  15.681% * 27.7167% (0.84   0.02   0.02) =  23.486%  kept
          HA    PHE   59 - HA    PHE   95  10.80 +/- 0.29  37.719% *  8.2742% (0.25   0.02   0.02) =  16.866%  kept
          HA    ASP-  86 - HA    PHE   95  14.95 +/- 0.35   5.329% * 12.4539% (0.38   0.02   0.02) =   3.587%
          HA    GLU-  14 - HA    PHE   95  21.48 +/- 1.06   0.640% * 14.8769% (0.45   0.02   0.02) =   0.514%
          HA    ALA   12 - HA    PHE   95  26.83 +/- 1.81   0.178% * 11.3190% (0.34   0.02   0.02) =   0.109%
    Distance limit 3.90 A violated in 20 structures by 5.36 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   2.58 +/- 0.30  99.972% * 99.8140% (0.87   3.44  73.37) = 100.000%  kept
          HN    ALA   47 - HA    PHE   95  10.54 +/- 0.27   0.028% *  0.1860% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3033 (9.33, 5.96, 55.53 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 12.0:
      O   HN    MET   96 - HA    PHE   95   2.22 +/- 0.04  99.994% * 99.8765% (0.80   4.00  11.99) = 100.000%  kept
          HN    PHE   72 - HA    PHE   95  11.21 +/- 0.21   0.006% *  0.1235% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 4.31, residual support = 73.4:
      O   HN    PHE   95 - HA    PHE   95   2.93 +/- 0.00 100.000% *100.0000% (0.53   4.31  73.37) = 100.000%  kept
    Distance limit 4.14 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   2.31 +/- 0.06  99.995% * 99.7868% (0.87   3.00  73.37) = 100.000%  kept
          HN    ALA   47 - HB2   PHE   95  12.30 +/- 0.36   0.005% *  0.2132% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.73 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 +/- 0.12  99.992% * 99.8068% (0.87   3.31  73.37) = 100.000%  kept
          HN    ALA   47 - HB3   PHE   95  12.39 +/- 0.32   0.008% *  0.1932% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 4.18, residual support = 73.4:
      O   HN    PHE   95 - HB3   PHE   95   3.57 +/- 0.03 100.000% *100.0000% (0.53   4.18  73.37) = 100.000%  kept
    Distance limit 4.19 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   2.40 +/- 0.08 100.000% *100.0000% (0.53   3.85  73.37) = 100.000%  kept
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3039 (1.14, 2.54, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 2.22, residual support = 50.4:
          QG2   VAL  107 - HB3   PHE   95   4.33 +/- 0.09  96.673% * 96.8248% (0.84   2.22  50.43) =  99.983%  kept
          HG13  ILE  119 - HB3   PHE   95   8.55 +/- 0.46   1.748% *  0.4296% (0.41   0.02   0.02) =   0.008%
          HG13  ILE  103 - HB3   PHE   95   9.16 +/- 0.48   1.164% *  0.3922% (0.38   0.02   0.02) =   0.005%
          HG2   LYS+ 121 - HB3   PHE   95  11.58 +/- 0.37   0.273% *  1.0242% (0.98   0.02   0.02) =   0.003%
          QB    ALA   20 - HB3   PHE   95  13.93 +/- 0.35   0.090% *  0.9371% (0.90   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB3   PHE   95  15.33 +/- 0.56   0.051% *  0.3922% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 6 structures by 0.05 A, kept.
 
    Peak 3040 (0.60, 2.54, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 0.944, residual support = 2.92:
          QD1   LEU   63 - HB3   PHE   95   3.78 +/- 0.10  96.282% * 86.2499% (0.57   0.95   2.92) =  99.900%  kept
          QD2   LEU  115 - HB3   PHE   95   7.19 +/- 0.40   2.177% *  2.8903% (0.90   0.02   4.39) =   0.076%
          QD1   LEU  104 - HB3   PHE   95  10.08 +/- 0.40   0.281% *  3.2228% (1.00   0.02   0.02) =   0.011%
          QG2   ILE   89 - HB3   PHE   95   8.19 +/- 0.30   0.963% *  0.4973% (0.15   0.02   0.02) =   0.006%
          QD1   LEU   73 - HB3   PHE   95  10.50 +/- 0.30   0.212% *  1.8246% (0.57   0.02   0.02) =   0.005%
          QD2   LEU   80 - HB3   PHE   95  14.00 +/- 0.89   0.041% *  2.9750% (0.92   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB3   PHE   95  13.87 +/- 0.72   0.042% *  2.3402% (0.73   0.02   0.02) =   0.001%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3041 (0.38, 2.54, 40.96 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 0.75, residual support = 1.49:
          QG1   VAL   42 - HB3   PHE   95   3.74 +/- 0.11  98.817% * 93.8162% (0.65   0.75   1.49) =  99.974%  kept
          QB    ALA   64 - HB3   PHE   95   8.22 +/- 0.28   0.908% *  2.0347% (0.53   0.02   0.02) =   0.020%
          QB    ALA   47 - HB3   PHE   95  11.59 +/- 0.31   0.116% *  2.9555% (0.76   0.02   0.02) =   0.004%
          HG2   LYS+ 112 - HB3   PHE   95  10.99 +/- 0.35   0.159% *  1.1936% (0.31   0.02   0.02) =   0.002%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3042 (1.13, 3.20, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 4.19, residual support = 50.4:
          QG2   VAL  107 - HB2   PHE   95   3.01 +/- 0.14  99.730% * 95.0430% (0.34   4.19  50.43) =  99.997%  kept
          HG13  ILE  119 - HB2   PHE   95   8.74 +/- 0.52   0.190% *  1.1920% (0.90   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HB2   PHE   95  11.58 +/- 0.46   0.034% *  0.7525% (0.57   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PHE   95  11.61 +/- 0.42   0.031% *  0.3696% (0.28   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PHE   95  15.02 +/- 0.32   0.007% *  1.2270% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PHE   95  16.33 +/- 0.53   0.004% *  1.1529% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB2   PHE   95  17.15 +/- 0.97   0.003% *  0.2630% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3043 (2.40, 3.20, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 50.4:
        T HB    VAL  107 - HB2   PHE   95   1.89 +/- 0.03  99.986% * 98.5508% (0.80   4.31  50.43) = 100.000%  kept
          HB3   PHE   45 - HB2   PHE   95   9.21 +/- 0.27   0.008% *  0.2143% (0.38   0.02   1.89) =   0.000%
          QE    LYS+ 112 - HB2   PHE   95   9.62 +/- 0.34   0.006% *  0.2143% (0.38   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   95  17.58 +/- 0.64   0.000% *  0.3923% (0.69   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   95  19.99 +/- 0.80   0.000% *  0.5402% (0.95   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   PHE   95  17.63 +/- 0.53   0.000% *  0.0881% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3044 (0.10, 1.19, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 0.75, residual support = 5.5:
          QD1   ILE   89 - QG2   THR   94   1.89 +/- 0.15  99.963% * 97.3666% (0.92   0.75   5.50) =  99.999%  kept
          QG2   VAL   83 - QG2   THR   94   7.41 +/- 0.36   0.030% *  1.9321% (0.69   0.02   0.02) =   0.001%
          QD2   LEU   31 - QG2   THR   94   9.48 +/- 0.37   0.007% *  0.7014% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3045 (5.63, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.972, support = 1.13, residual support = 2.26:
        T HA    LYS+ 106 - HA    MET   96   2.79 +/- 0.31 100.000% *100.0000% (0.97   1.13   2.26) = 100.000%  kept
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3046 (8.40, 5.31, 54.03 ppm):
    3 chemical-shift based assignments, quality = 0.879, support = 6.07, residual support = 45.8:
      O   HN    PHE   97 - HA    MET   96   2.21 +/- 0.01  99.994% * 99.5705% (0.88   6.07  45.81) = 100.000%  kept
          HN    LEU  115 - HA    MET   96  11.49 +/- 0.27   0.005% *  0.3278% (0.88   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    MET   96  14.85 +/- 0.30   0.001% *  0.1016% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3047 (9.31, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.634, support = 4.09, residual support = 115.5:
      O   HN    MET   96 - HA    MET   96   2.92 +/- 0.01 100.000% *100.0000% (0.63   4.09 115.54) = 100.000%  kept
    Distance limit 4.11 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 = 1.97, residual support = 9.79:
        T QE    PHE   45 - HB2   MET   96   3.45 +/- 0.20  99.441% * 97.0662% (0.49   1.97   9.79) =  99.992%  kept
          QD    PHE   72 - HB2   MET   96   8.70 +/- 0.45   0.410% *  1.3887% (0.69   0.02   0.02) =   0.006%
        T HZ    PHE   72 - HB2   MET   96  10.29 +/- 0.35   0.148% *  1.5451% (0.76   0.02   0.02) =   0.002%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3049 (8.39, 2.21, 36.87 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.07, residual support = 45.8:
          HN    PHE   97 - HB2   MET   96   4.15 +/- 0.11  99.826% * 99.4519% (0.92   6.07  45.81) = 100.000%  kept
          HN    LEU  115 - HB2   MET   96  13.85 +/- 0.28   0.073% *  0.3274% (0.92   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   MET   96  13.17 +/- 0.44   0.099% *  0.0480% (0.14   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   MET   96  27.16 +/- 2.86   0.002% *  0.1727% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3050 (9.31, 2.21, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 4.06, residual support = 115.5:
      O   HN    MET   96 - HB2   MET   96   2.83 +/- 0.16 100.000% *100.0000% (0.65   4.06 115.54) = 100.000%  kept
    Distance limit 4.09 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 = 0.717, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - HB3   MET   96  10.97 +/- 0.54  28.826% * 81.6578% (0.99   0.02   0.02) =  64.325%  kept
          QD    PHE   72 - HB3   MET   96   9.42 +/- 0.42  71.174% * 18.3422% (0.22   0.02   0.02) =  35.675%  kept
    Distance limit 4.02 A violated in 20 structures by 4.87 A, eliminated.
    Peak unassigned.
 
    Peak 3052 (9.31, 1.93, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 3.97, residual support = 115.5:
      O   HN    MET   96 - HB3   MET   96   2.74 +/- 0.20 100.000% *100.0000% (0.65   3.97 115.54) = 100.000%  kept
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3053 (0.74, 2.21, 36.87 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 16.4:
          QG1   VAL   43 - HB2   MET   96   3.10 +/- 0.50  98.624% * 94.5898% (0.73   2.00  16.41) =  99.988%  kept
          QG1   VAL   41 - HB2   MET   96   7.11 +/- 0.51   0.964% *  0.6853% (0.53   0.02   0.02) =   0.007%
          QD2   LEU  104 - HB2   MET   96   9.60 +/- 0.58   0.164% *  1.0431% (0.80   0.02   0.02) =   0.002%
          QG2   THR   46 - HB2   MET   96  10.17 +/- 0.43   0.111% *  1.2768% (0.98   0.02   0.02) =   0.002%
          QG2   VAL   18 - HB2   MET   96  10.58 +/- 0.79   0.104% *  1.2025% (0.92   0.02   0.02) =   0.001%
          QD1   ILE   19 - HB2   MET   96  12.38 +/- 0.59   0.034% *  1.2025% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3054 (0.08, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.758, support = 0.02, residual support = 0.02:
          QD1   ILE   89 - HB2   MET   96   5.11 +/- 0.40  75.756% * 27.1168% (0.69   0.02   0.02) =  69.926%  kept
          QD2   LEU   31 - HB2   MET   96   6.91 +/- 0.46  14.396% * 36.4416% (0.92   0.02   0.02) =  17.858%  kept
          QG2   VAL   83 - HB2   MET   96   7.32 +/- 0.53   9.848% * 36.4416% (0.92   0.02   0.02) =  12.216%  kept
    Distance limit 4.30 A violated in 18 structures by 0.58 A, eliminated.
    Peak unassigned.
 
    Peak 3055 (0.10, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.672, support = 0.0196, residual support = 0.0196:
        T QD1   ILE   89 - HB3   MET   96   4.07 +/- 0.43  96.493% * 62.5588% (0.69   0.02   0.02) =  97.871%  kept
          QG2   VAL   83 - HB3   MET   96   7.39 +/- 0.55   3.507% * 37.4412% (0.41   0.02   0.02) =   2.129%
    Distance limit 4.31 A violated in 3 structures by 0.10 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3056 (8.39, 2.61, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 5.6, residual support = 45.8:
          HN    PHE   97 - HG2   MET   96   3.86 +/- 0.38  99.648% * 99.1286% (0.92   5.60  45.81) = 100.000%  kept
          HN    LEU  115 - HB2   PRO   52  10.98 +/- 0.40   0.211% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    LEU  115 - HG2   MET   96  14.61 +/- 0.49   0.036% *  0.3543% (0.92   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   96  12.92 +/- 0.75   0.087% *  0.0519% (0.14   0.02   0.02) =   0.000%
          HN    PHE   97 - HB2   PRO   52  16.94 +/- 0.18   0.016% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    ALA   12 - HG2   MET   96  28.50 +/- 2.92   0.001% *  0.1868% (0.49   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   PRO   52  34.76 +/- 3.23   0.000% *  0.0549% (0.14   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   PRO   52  27.97 +/- 0.31   0.001% *  0.0153% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 6.06, residual support = 45.8:
          HN    PHE   97 - HG3   MET   96   2.97 +/- 0.41  99.984% * 99.5692% (0.54   6.06  45.81) = 100.000%  kept
          HN    LEU  115 - HG3   MET   96  13.75 +/- 0.62   0.013% *  0.3288% (0.54   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG3   MET   96  17.03 +/- 0.67   0.004% *  0.1019% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3058 (1.19, 2.61, 32.67 ppm):
    12 chemical-shift based assignments, quality = 0.354, support = 2.19, residual support = 8.09:
          HG13  ILE  103 - HG2   MET   96   3.64 +/- 0.24  88.948% * 37.8411% (0.25   2.40   9.14) =  85.903%  kept
          QG2   THR   94 - HG2   MET   96   5.46 +/- 0.42   9.666% * 57.1042% (0.99   0.91   1.67) =  14.088%  kept
          QG2   THR   94 - HB2   PRO   52   9.39 +/- 0.21   0.318% *  0.3688% (0.29   0.02   0.02) =   0.003%
          HD2   LYS+ 112 - HB2   PRO   52   9.94 +/- 0.54   0.231% *  0.3228% (0.25   0.02   0.02) =   0.002%
          HB3   LYS+ 112 - HB2   PRO   52  10.59 +/- 0.44   0.156% *  0.3647% (0.29   0.02   0.02) =   0.001%
          HB3   LEU   71 - HG2   MET   96  13.18 +/- 0.63   0.044% *  1.0143% (0.80   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HB2   PRO   52   8.47 +/- 0.56   0.611% *  0.0574% (0.05   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HG2   MET   96  19.37 +/- 0.48   0.004% *  1.2416% (0.98   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG2   MET   96  20.46 +/- 0.41   0.003% *  1.0988% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG2   MET   96  15.81 +/- 0.45   0.014% *  0.1954% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   PRO   52  23.67 +/- 0.53   0.001% *  0.2980% (0.24   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB2   PRO   52  19.58 +/- 0.30   0.004% *  0.0928% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3059 (0.98, 2.61, 32.67 ppm):
    16 chemical-shift based assignments, quality = 0.731, support = 2.5, residual support = 9.14:
          QD1   ILE  103 - HG2   MET   96   3.65 +/- 0.58  77.567% * 21.0837% (0.49   1.83   9.14) =  52.067%  kept
          QG2   ILE  103 - HG2   MET   96   4.87 +/- 0.55  19.759% * 76.1425% (1.00   3.22   9.14) =  47.900%  kept
          QD2   LEU   40 - HG2   MET   96   6.98 +/- 0.43   1.908% *  0.4477% (0.95   0.02   0.02) =   0.027%
          QD1   LEU   67 - HG2   MET   96  10.18 +/- 0.38   0.186% *  0.4568% (0.97   0.02   0.02) =   0.003%
          HB    VAL   75 - HG2   MET   96   9.08 +/- 0.42   0.366% *  0.1776% (0.38   0.02   0.02) =   0.002%
          QD2   LEU   71 - HG2   MET   96  12.50 +/- 0.70   0.058% *  0.2871% (0.61   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG2   MET   96  14.64 +/- 0.49   0.021% *  0.4691% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   PRO   52  14.16 +/- 0.50   0.025% *  0.1378% (0.29   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   MET   96  15.29 +/- 0.35   0.015% *  0.1461% (0.31   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB2   PRO   52  15.83 +/- 0.34   0.012% *  0.1342% (0.28   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   PRO   52  13.82 +/- 0.44   0.028% *  0.0522% (0.11   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   PRO   52  16.56 +/- 0.34   0.009% *  0.1387% (0.29   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   PRO   52  13.96 +/- 0.38   0.027% *  0.0429% (0.09   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB2   PRO   52  17.69 +/- 0.18   0.006% *  0.1315% (0.28   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   PRO   52  16.60 +/- 0.97   0.009% *  0.0677% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   PRO   52  19.47 +/- 0.82   0.004% *  0.0843% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3060 (1.37, 2.47, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.22, support = 0.459, residual support = 0.542:
          HG    LEU   98 - HG3   MET   96   4.56 +/- 1.53  48.745% * 21.9819% (0.25   0.24   0.44) =  51.104%  kept
          QB    LEU   98 - HG3   MET   96   4.90 +/- 0.62  22.861% * 39.3494% (0.14   0.78   0.44) =  42.903%  kept
          HG3   LYS+ 106 - HG3   MET   96   4.97 +/- 1.03  26.926% *  4.4989% (0.61   0.02   2.26) =   5.778%  kept
          HB    VAL   42 - HG3   MET   96   8.69 +/- 0.48   0.504% *  4.0437% (0.54   0.02   0.02) =   0.097%
          HB3   LEU   73 - HG3   MET   96  10.52 +/- 0.82   0.195% *  4.2653% (0.57   0.02   0.02) =   0.040%
          QB    ALA   84 - HG3   MET   96  10.01 +/- 0.35   0.238% *  2.3722% (0.32   0.02   0.02) =   0.027%
          HG3   LYS+ 102 - HG3   MET   96  11.20 +/- 0.59   0.120% *  4.3514% (0.59   0.02   0.02) =   0.025%
          HB3   ASP-  44 - HG3   MET   96   9.53 +/- 0.34   0.305% *  0.8923% (0.12   0.02   0.02) =   0.013%
          HB3   PRO   93 - HG3   MET   96  12.01 +/- 0.31   0.078% *  2.5527% (0.34   0.02   0.02) =   0.009%
          HG3   LYS+  33 - HG3   MET   96  16.13 +/- 0.86   0.013% *  3.7662% (0.51   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HG3   MET   96  18.52 +/- 0.60   0.006% *  4.4690% (0.60   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HG3   MET   96  19.41 +/- 0.81   0.004% *  4.0437% (0.54   0.02   0.02) =   0.001%
          QB    ALA  124 - HG3   MET   96  18.91 +/- 0.66   0.005% *  1.3917% (0.19   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   MET   96  23.60 +/- 1.80   0.001% *  2.0215% (0.27   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3061 (1.19, 2.47, 32.67 ppm):
    6 chemical-shift based assignments, quality = 0.195, support = 2.26, residual support = 8.41:
          HG13  ILE  103 - HG3   MET   96   3.23 +/- 0.32  93.732% * 36.7787% (0.15   2.39   9.14) =  90.251%  kept
          QG2   THR   94 - HG3   MET   96   5.31 +/- 0.45   6.230% * 59.7672% (0.60   0.98   1.67) =   9.748%  kept
          HB3   LEU   71 - HG3   MET   96  13.43 +/- 0.70   0.023% *  0.9869% (0.49   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HG3   MET   96  18.59 +/- 0.61   0.003% *  1.2080% (0.59   0.02   0.02) =   0.000%
        T HD2   LYS+ 112 - HG3   MET   96  19.76 +/- 0.58   0.002% *  1.0691% (0.53   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG3   MET   96  15.16 +/- 0.67   0.010% *  0.1902% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3062 (0.98, 2.47, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.462, support = 2.55, residual support = 9.14:
          QG2   ILE  103 - HG3   MET   96   4.24 +/- 0.52  29.333% * 71.3979% (0.61   2.86   9.14) =  53.742%  kept
          QD1   ILE  103 - HG3   MET   96   3.56 +/- 0.66  67.962% * 26.5070% (0.30   2.18   9.14) =  46.227%  kept
          QD2   LEU   40 - HG3   MET   96   6.63 +/- 0.48   2.234% *  0.4727% (0.57   0.02   0.02) =   0.027%
          QD1   LEU   67 - HG3   MET   96   9.76 +/- 0.40   0.191% *  0.4823% (0.59   0.02   0.02) =   0.002%
          HB    VAL   75 - HG3   MET   96   9.72 +/- 0.46   0.207% *  0.1876% (0.23   0.02   0.02) =   0.001%
          QD2   LEU   71 - HG3   MET   96  12.73 +/- 0.74   0.043% *  0.3031% (0.37   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG3   MET   96  15.01 +/- 0.53   0.015% *  0.4953% (0.60   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   MET   96  14.60 +/- 0.40   0.015% *  0.1542% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3063 (9.70, 5.36, 56.63 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.43, residual support = 10.9:
      O   HN    LEU   98 - HA    PHE   97   2.20 +/- 0.01 100.000% *100.0000% (0.80   3.43  10.91) = 100.000%  kept
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3064 (8.40, 5.36, 56.63 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.73, residual support = 62.6:
      O   HN    PHE   97 - HA    PHE   97   2.94 +/- 0.00  99.988% * 99.4494% (0.90   4.73  62.60) = 100.000%  kept
          HN    LEU  115 - HA    PHE   97  13.80 +/- 0.20   0.009% *  0.4203% (0.90   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    PHE   97  17.50 +/- 0.20   0.002% *  0.1303% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3065 (7.15, 2.99, 40.60 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 2.44, residual support = 62.6:
      O T QD    PHE   97 - HB2   PHE   97   2.47 +/- 0.12  99.922% * 99.3176% (0.45   2.44  62.60) =  99.999%  kept
          HZ3   TRP   87 - HB2   PHE   97   8.32 +/- 0.45   0.078% *  0.6824% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.90 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 = 7.73, residual support = 59.1:
          HN    ASP- 105 - HB2   PHE   97   1.97 +/- 0.12 100.000% * 99.8975% (0.95   7.73  59.09) = 100.000%  kept
          HN    ALA   88 - HB2   PHE   97  15.39 +/- 0.44   0.000% *  0.1025% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3067 (8.40, 2.99, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.84, residual support = 62.6:
      O   HN    PHE   97 - HB2   PHE   97   2.51 +/- 0.13  99.990% * 99.4616% (0.90   4.84  62.60) = 100.000%  kept
          HN    LEU  115 - HB2   PHE   97  12.12 +/- 0.25   0.008% *  0.4110% (0.90   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB2   PHE   97  15.80 +/- 0.27   0.002% *  0.1274% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3068 (1.86, 2.99, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.991, support = 3.79, residual support = 59.1:
        T HB3   ASP- 105 - HB2   PHE   97   2.48 +/- 0.34  96.678% * 95.8607% (0.99   3.79  59.09) =  99.987%  kept
        T QB    LYS+ 106 - HB2   PHE   97   4.79 +/- 0.24   2.629% *  0.4082% (0.80   0.02  11.08) =   0.012%
          HB    ILE  103 - HB2   PHE   97   6.92 +/- 0.34   0.249% *  0.5098% (1.00   0.02   1.71) =   0.001%
          HG12  ILE  103 - HB2   PHE   97   6.52 +/- 0.52   0.430% *  0.1009% (0.20   0.02   1.71) =   0.000%
          QB    LYS+  33 - HB2   PHE   97  15.15 +/- 0.48   0.003% *  0.4823% (0.95   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PHE   97  16.46 +/- 0.40   0.002% *  0.5087% (1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PHE   97  15.06 +/- 0.44   0.003% *  0.2096% (0.41   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   PHE   97  15.40 +/- 0.28   0.002% *  0.1913% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PHE   97  14.74 +/- 0.49   0.003% *  0.1271% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PHE   97  18.88 +/- 0.62   0.001% *  0.4572% (0.90   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   PHE   97  19.72 +/- 0.34   0.000% *  0.4258% (0.84   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PHE   97  22.29 +/- 0.39   0.000% *  0.5087% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   PHE   97  19.79 +/- 0.34   0.000% *  0.2096% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 0.312, support = 3.77, residual support = 11.3:
        T HB2   LEU  104 - HB2   PHE   97   3.39 +/- 0.28  50.420% * 50.6626% (0.31   4.49  15.08) =  69.305%  kept
          QD2   LEU   40 - HB2   PHE   97   3.73 +/- 0.27  29.229% * 21.5781% (0.38   1.57   3.45) =  17.112%  kept
          QG2   ILE  103 - HB2   PHE   97   4.10 +/- 0.37  19.167% * 26.1032% (0.25   2.87   1.71) =  13.575%  kept
          QD1   LEU   67 - HB2   PHE   97   6.54 +/- 0.35   1.001% *  0.2492% (0.34   0.02   0.02) =   0.007%
          QG2   VAL  108 - HB2   PHE   97   9.21 +/- 0.28   0.130% *  0.1446% (0.20   0.02   0.02) =   0.001%
          QD1   ILE  119 - HB2   PHE   97  11.44 +/- 0.18   0.034% *  0.4432% (0.61   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   PHE   97  13.21 +/- 0.43   0.015% *  0.6912% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   PHE   97  16.67 +/- 0.64   0.004% *  0.1280% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 0.335, support = 2.2, residual support = 7.17:
        T QD2   LEU   40 - HB3   PHE   97   2.36 +/- 0.24  76.369% * 37.1464% (0.36   1.68   3.45) =  67.950%  kept
          HB2   LEU  104 - HB3   PHE   97   3.10 +/- 0.43  22.334% * 59.8910% (0.29   3.30  15.08) =  32.040%  kept
          QD1   LEU   67 - HB3   PHE   97   5.47 +/- 0.43   0.609% *  0.4017% (0.32   0.02   0.02) =   0.006%
          QG2   ILE  103 - HB3   PHE   97   5.30 +/- 0.43   0.670% *  0.2936% (0.24   0.02   1.71) =   0.005%
          QD1   ILE  119 - HB3   PHE   97  11.51 +/- 0.35   0.006% *  0.7142% (0.57   0.02   0.02) =   0.000%
          HB    VAL   75 - HB3   PHE   97  13.31 +/- 0.40   0.002% *  1.1139% (0.89   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   PHE   97  10.54 +/- 0.27   0.010% *  0.2330% (0.19   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   PHE   97  16.26 +/- 0.72   0.001% *  0.2062% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3071 (7.13, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 2.74, residual support = 62.6:
      O T QD    PHE   97 - HB3   PHE   97   2.46 +/- 0.21  99.958% * 99.1444% (0.87   2.74  62.60) = 100.000%  kept
          HZ3   TRP   87 - HB3   PHE   97   9.14 +/- 0.46   0.042% *  0.6809% (0.82   0.02   0.02) =   0.000%
          HE3   TRP   49 - HB3   PHE   97  25.18 +/- 0.32   0.000% *  0.1748% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 5.15, residual support = 59.1:
          HN    ASP- 105 - HB3   PHE   97   3.18 +/- 0.40  99.991% * 99.0173% (0.46   5.15  59.09) = 100.000%  kept
          HN    ALA   88 - HB3   PHE   97  16.41 +/- 0.38   0.006% *  0.6859% (0.82   0.02   0.02) =   0.000%
          HN    PHE   55 - HB3   PHE   97  19.83 +/- 0.31   0.002% *  0.2968% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3073 (8.40, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.19, residual support = 62.6:
      O   HN    PHE   97 - HB3   PHE   97   3.64 +/- 0.06  99.942% * 99.4978% (0.85   5.19  62.60) = 100.000%  kept
          HN    LEU  115 - HB3   PHE   97  13.09 +/- 0.27   0.047% *  0.3833% (0.85   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   PHE   97  16.84 +/- 0.25   0.010% *  0.1188% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 0.722, support = 2.17, residual support = 59.1:
          HB3   ASP- 105 - HB3   PHE   97   3.56 +/- 0.33  94.906% * 90.6945% (0.72   2.17  59.09) =  99.940%  kept
          QB    LYS+ 106 - HB3   PHE   97   6.23 +/- 0.30   4.164% *  1.0714% (0.93   0.02  11.08) =   0.052%
          HB    ILE  103 - HB3   PHE   97   7.98 +/- 0.45   0.770% *  0.7508% (0.65   0.02   1.71) =   0.007%
          HB3   LYS+  38 - HB3   PHE   97  13.43 +/- 0.43   0.037% *  0.7937% (0.69   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   PHE   97  14.06 +/- 0.55   0.030% *  0.9481% (0.82   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   PHE   97  13.68 +/- 0.73   0.036% *  0.5751% (0.50   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB3   PHE   97  14.94 +/- 0.46   0.021% *  0.7071% (0.61   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   PHE   97  15.92 +/- 0.30   0.014% *  0.9481% (0.82   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   PHE   97  19.85 +/- 0.55   0.004% *  1.0090% (0.87   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   PHE   97  20.21 +/- 0.30   0.003% *  1.0549% (0.91   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   PHE   97  18.00 +/- 0.45   0.007% *  0.4102% (0.36   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB3   PHE   97  17.69 +/- 0.38   0.007% *  0.2433% (0.21   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   PHE   97  22.50 +/- 0.43   0.002% *  0.7937% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3075 (1.80, 5.51, 53.84 ppm):
    8 chemical-shift based assignments, quality = 0.284, support = 3.19, residual support = 28.2:
          HG12  ILE  103 - HA    LEU   98   4.05 +/- 0.69  55.763% * 53.7007% (0.25   3.74  26.76) =  71.039%  kept
          HB    VAL   41 - HA    LEU   98   5.01 +/- 1.13  29.697% * 40.5551% (0.38   1.88  32.33) =  28.571%  kept
          QB    LYS+ 102 - HA    LEU   98   5.16 +/- 0.33  14.388% *  1.1293% (0.98   0.02   3.07) =   0.385%
          HB2   LEU   71 - HA    LEU   98  11.46 +/- 0.63   0.107% *  1.1495% (1.00   0.02   0.02) =   0.003%
          QB    LYS+  66 - HA    LEU   98  14.40 +/- 0.42   0.027% *  0.6523% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LEU   98  17.35 +/- 0.20   0.009% *  1.1521% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   98  18.35 +/- 0.22   0.006% *  0.9623% (0.84   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LEU   98  20.04 +/- 0.50   0.004% *  0.6988% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3076 (4.29, 5.51, 53.84 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 2.93, residual support = 26.8:
          HA    ILE  103 - HA    LEU   98   2.13 +/- 0.18  99.152% * 94.0524% (0.73   2.93  26.76) =  99.998%  kept
          HA    LEU  104 - HA    LEU   98   4.86 +/- 0.19   0.832% *  0.2460% (0.28   0.02   7.79) =   0.002%
          HA    ASP-  44 - HA    LEU   98  11.85 +/- 0.23   0.004% *  0.7934% (0.90   0.02   0.02) =   0.000%
          HA    THR   39 - HA    LEU   98   9.74 +/- 0.24   0.012% *  0.2460% (0.28   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    LEU   98  15.82 +/- 0.42   0.001% *  0.6424% (0.73   0.02   0.02) =   0.000%
          HA    SER   85 - HA    LEU   98  17.92 +/- 0.36   0.000% *  0.7389% (0.84   0.02   0.02) =   0.000%
          HB    THR   77 - HA    LEU   98  19.85 +/- 0.31   0.000% *  0.7389% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    LEU   98  22.07 +/- 1.27   0.000% *  0.5723% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA    LEU   98  22.27 +/- 0.37   0.000% *  0.3018% (0.34   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    LEU   98  26.69 +/- 1.82   0.000% *  0.6761% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - HA    LEU   98  28.86 +/- 2.78   0.000% *  0.8167% (0.92   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    LEU   98  26.46 +/- 0.13   0.000% *  0.1751% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3077 (7.80, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.56, residual support = 5.15:
          HN    ASP- 105 - HA    LEU   98   4.15 +/- 0.07  99.956% * 99.7775% (0.95   3.56   5.15) = 100.000%  kept
          HN    ALA   88 - HA    LEU   98  15.08 +/- 0.37   0.044% *  0.2225% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3078 (8.34, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.29, residual support = 18.0:
      O   HN    LYS+  99 - HA    LEU   98   2.35 +/- 0.08  99.972% * 99.0584% (0.80   4.29  18.01) = 100.000%  kept
          HE1   HIS  122 - HA    LEU   98  11.13 +/- 2.63   0.015% *  0.4186% (0.73   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    LEU   98  10.53 +/- 0.41   0.013% *  0.1966% (0.34   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LEU   98  22.27 +/- 1.34   0.000% *  0.3264% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 3.47, residual support = 7.79:
          HN    LEU  104 - HA    LEU   98   2.25 +/- 0.22  99.996% * 99.6231% (0.92   3.47   7.79) = 100.000%  kept
          HN    PHE   72 - HA    LEU   98  12.84 +/- 0.26   0.004% *  0.3769% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3080 (9.69, 5.51, 53.84 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.21, residual support = 81.1:
      O   HN    LEU   98 - HA    LEU   98   2.93 +/- 0.01 100.000% *100.0000% (0.98   5.21  81.15) = 100.000%  kept
    Distance limit 3.97 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 = 0.458, support = 3.89, residual support = 30.9:
        T HB    VAL   41 - QB    LEU   98   2.80 +/- 1.18  73.698% * 48.3488% (0.42   4.15  32.33) =  74.222%  kept
          HG12  ILE  103 - QB    LEU   98   3.50 +/- 0.87  25.443% * 48.6296% (0.56   3.14  26.76) =  25.773%  kept
          HB    ILE  103 - QB    LEU   98   5.15 +/- 0.41   0.668% *  0.3286% (0.60   0.02  26.76) =   0.005%
        T QB    LYS+ 106 - QB    LEU   98   6.79 +/- 0.65   0.128% *  0.1476% (0.27   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QB    LEU   98   7.88 +/- 0.23   0.046% *  0.2901% (0.53   0.02   5.15) =   0.000%
        T QB    LYS+  33 - QB    LEU   98   9.89 +/- 0.38   0.013% *  0.2328% (0.42   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    LEU   98  13.72 +/- 0.30   0.002% *  0.1476% (0.27   0.02   0.02) =   0.000%
          HG3   PRO   68 - QB    LEU   98  16.51 +/- 0.21   0.001% *  0.3474% (0.63   0.02   0.02) =   0.000%
          HG    LEU  123 - QB    LEU   98  18.72 +/- 0.43   0.000% *  0.4290% (0.78   0.02   0.02) =   0.000%
          QB    LYS+  81 - QB    LEU   98  16.07 +/- 0.45   0.001% *  0.1632% (0.30   0.02   0.02) =   0.000%
          HB3   GLN   90 - QB    LEU   98  16.92 +/- 0.77   0.000% *  0.1967% (0.36   0.02   0.02) =   0.000%
          HB3   PRO   52 - QB    LEU   98  20.98 +/- 0.40   0.000% *  0.4290% (0.78   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QB    LEU   98  22.92 +/- 0.55   0.000% *  0.3095% (0.56   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3082 (8.35, 1.41, 47.50 ppm):
    5 chemical-shift based assignments, quality = 0.268, support = 3.94, residual support = 18.0:
          HN    LYS+  99 - QB    LEU   98   2.89 +/- 0.38  99.589% * 97.4143% (0.27   3.94  18.01) =  99.995%  kept
          HN    ASN   35 - QB    LEU   98   7.75 +/- 0.36   0.344% *  1.3379% (0.72   0.02   0.02) =   0.005%
          HE1   HIS  122 - QB    LEU   98  11.20 +/- 2.35   0.065% *  0.3994% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    LEU   98  18.97 +/- 1.27   0.002% *  0.2472% (0.13   0.02   0.02) =   0.000%
          HN    ALA   12 - QB    LEU   98  23.41 +/- 2.34   0.001% *  0.6012% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3083 (9.02, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 3.26, residual support = 32.3:
          HN    VAL   41 - QB    LEU   98   3.84 +/- 0.19 100.000% *100.0000% (0.85   3.26  32.33) = 100.000%  kept
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3084 (9.69, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 5.07, residual support = 81.1:
      O   HN    LEU   98 - QB    LEU   98   2.70 +/- 0.19 100.000% *100.0000% (0.85   5.07  81.15) = 100.000%  kept
    Distance limit 3.65 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 = 81.1:
      O   HA    LEU   98 - HG    LEU   98   2.89 +/- 0.51 100.000% *100.0000% (0.69   4.04  81.15) = 100.000%  kept
    Distance limit 4.42 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 = 3.93, residual support = 81.1:
          HN    LEU   98 - HG    LEU   98   3.48 +/- 0.63 100.000% *100.0000% (0.98   3.93  81.15) = 100.000%  kept
    Distance limit 4.12 A violated in 1 structures by 0.01 A, kept.
 
    Peak 3087 (4.31, 0.71, 25.69 ppm):
    9 chemical-shift based assignments, quality = 0.249, support = 4.31, residual support = 26.8:
        T HA    ILE  103 - QD1   LEU   98   2.66 +/- 0.35  99.091% * 91.0406% (0.25   4.31  26.76) =  99.988%  kept
        T HA    LEU  104 - QD1   LEU   98   6.13 +/- 0.30   0.761% *  1.2937% (0.76   0.02   7.79) =   0.011%
          HA    ASP-  44 - QD1   LEU   98   9.71 +/- 1.44   0.097% *  0.6959% (0.41   0.02   0.02) =   0.001%
          HA    ASP-  86 - QD1   LEU   98  10.57 +/- 0.71   0.033% *  1.6891% (1.00   0.02   0.02) =   0.001%
          HA    SER   85 - QD1   LEU   98  12.60 +/- 0.77   0.011% *  0.5774% (0.34   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   LEU   98  14.96 +/- 1.17   0.004% *  0.5774% (0.34   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   98  19.24 +/- 1.46   0.001% *  1.6891% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   98  23.22 +/- 1.81   0.000% *  1.6778% (0.99   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   LEU   98  25.10 +/- 2.64   0.000% *  0.7589% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3088 (7.20, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 0.783, support = 0.02, residual support = 0.02:
          HD1   TRP   27 - QD1   LEU   98   9.11 +/- 0.52  66.613% * 33.8723% (0.84   0.02   0.02) =  73.718%  kept
          HE21  GLN   30 - QD1   LEU   98  11.01 +/- 0.72  22.362% * 19.7390% (0.49   0.02   0.02) =  14.421%  kept
          QD    PHE   59 - QD1   LEU   98  12.78 +/- 1.21  10.538% * 33.8723% (0.84   0.02   0.02) =  11.662%  kept
          HH2   TRP   49 - QD1   LEU   98  20.94 +/- 1.30   0.487% * 12.5164% (0.31   0.02   0.02) =   0.199%
    Distance limit 3.93 A violated in 20 structures by 4.57 A, eliminated.
    Peak unassigned.
 
    Peak 3089 (0.61, 1.77, 37.34 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 3.26, residual support = 17.7:
        T QD1   LEU  104 - HB2   LYS+  99   2.06 +/- 0.28  99.985% * 97.6189% (0.69   3.26  17.69) = 100.000%  kept
        T QD1   LEU   73 - HB2   LYS+  99  11.31 +/- 0.65   0.007% *  0.1345% (0.15   0.02   0.02) =   0.000%
        T QD1   LEU   63 - HB2   LYS+  99  11.44 +/- 0.44   0.005% *  0.1345% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LYS+  99  16.02 +/- 0.71   0.001% *  0.8696% (1.00   0.02   0.02) =   0.000%
        T QG2   ILE   89 - HB2   LYS+  99  15.97 +/- 0.46   0.001% *  0.4934% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LYS+  99  15.68 +/- 0.62   0.001% *  0.3583% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LYS+  99  17.35 +/- 0.83   0.000% *  0.3908% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3090 (0.98, 1.77, 37.34 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 1.83, residual support = 14.1:
        T QD2   LEU   40 - HB2   LYS+  99   3.49 +/- 0.50  96.719% * 94.8311% (0.95   1.84  14.08) =  99.967%  kept
          QG2   ILE  103 - HB2   LYS+  99   7.01 +/- 0.26   1.841% *  1.0901% (1.00   0.02   0.02) =   0.022%
          QD1   LEU   67 - HB2   LYS+  99   8.51 +/- 0.54   0.512% *  1.0543% (0.97   0.02   0.02) =   0.006%
          QD1   ILE  103 - HB2   LYS+  99   8.20 +/- 0.66   0.833% *  0.5318% (0.49   0.02   0.02) =   0.005%
          QD2   LEU   71 - HB2   LYS+  99  11.91 +/- 0.65   0.070% *  0.6626% (0.61   0.02   0.02) =   0.001%
          QG2   ILE  119 - HB2   LYS+  99  15.28 +/- 0.41   0.016% *  0.3372% (0.31   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LYS+  99  17.43 +/- 0.68   0.007% *  0.4100% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LYS+  99  20.66 +/- 0.90   0.003% *  1.0828% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3091 (8.35, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 4.81, residual support = 173.9:
      O   HN    LYS+  99 - HB2   LYS+  99   3.00 +/- 0.15  99.855% * 97.8703% (0.31   4.81 173.87) =  99.999%  kept
          HN    ASN   35 - HB2   LYS+  99  10.37 +/- 0.49   0.067% *  1.1020% (0.84   0.02   0.02) =   0.001%
          HE1   HIS  122 - HB2   LYS+  99  11.29 +/- 2.72   0.076% *  0.3290% (0.25   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+  99  21.46 +/- 1.48   0.001% *  0.2036% (0.15   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   LYS+  99  26.08 +/- 2.36   0.000% *  0.4952% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 5.13, residual support = 173.9:
      O   HN    LYS+  99 - HA    LYS+  99   2.88 +/- 0.02  99.639% * 99.2109% (0.80   5.13 173.87) =  99.999%  kept
          HN    ASN   35 - HA    LYS+  99   7.54 +/- 0.42   0.332% *  0.1648% (0.34   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    LYS+  99  12.13 +/- 2.58   0.028% *  0.3508% (0.73   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  99  19.57 +/- 1.39   0.001% *  0.2735% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 6.76, residual support = 40.2:
      O   HN    GLU- 100 - HA    LYS+  99   2.19 +/- 0.03 100.000% *100.0000% (0.84   6.76  40.23) = 100.000%  kept
    Distance limit 3.26 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 = 0.805, support = 5.37, residual support = 183.0:
      O   QE    LYS+  99 - HG2   LYS+  99   2.89 +/- 0.52  38.112% * 81.8081% (0.99   5.64 173.87) =  74.550%  kept
      O   QE    LYS+  38 - HG2   LYS+  38   2.61 +/- 0.42  61.578% * 17.2844% (0.26   4.58 209.82) =  25.449%  kept
          QE    LYS+  38 - HG2   LYS+  99   7.70 +/- 0.52   0.129% *  0.2769% (0.95   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HG2   LYS+  99   9.33 +/- 0.71   0.042% *  0.2237% (0.76   0.02   1.99) =   0.000%
          QE    LYS+  99 - HG2   LYS+  38   7.97 +/- 0.96   0.090% *  0.0791% (0.27   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  99   9.23 +/- 0.30   0.035% *  0.0999% (0.34   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  38  12.25 +/- 1.12   0.011% *  0.0610% (0.21   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  99  17.08 +/- 0.54   0.001% *  0.1099% (0.38   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  38  15.34 +/- 0.57   0.002% *  0.0272% (0.09   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  38  17.93 +/- 0.50   0.001% *  0.0299% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3096 (4.38, 1.33, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.835, support = 7.08, residual support = 173.8:
      O T HA    LYS+  99 - HG2   LYS+  99   2.50 +/- 0.27  84.716% * 97.7686% (0.84   7.08 173.87) =  99.970%  kept
          HA    LEU   40 - HG2   LYS+  99   3.55 +/- 0.42  10.736% *  0.1872% (0.57   0.02  14.08) =   0.024%
          HA    ASN   35 - HG2   LYS+  38   4.58 +/- 0.48   4.028% *  0.0853% (0.26   0.02   0.02) =   0.004%
          HA    ASN   35 - HG2   LYS+  99   6.64 +/- 0.42   0.286% *  0.3128% (0.95   0.02   0.02) =   0.001%
        T HA    LYS+  99 - HG2   LYS+  38   7.51 +/- 0.60   0.169% *  0.0753% (0.23   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   LYS+  38   8.63 +/- 0.19   0.061% *  0.0510% (0.15   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  99  17.91 +/- 0.73   0.001% *  0.3300% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  99  16.47 +/- 1.20   0.001% *  0.1241% (0.38   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  99  23.20 +/- 0.40   0.000% *  0.3192% (0.97   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  99  21.23 +/- 1.63   0.000% *  0.1241% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  38  16.94 +/- 1.03   0.001% *  0.0338% (0.10   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  99  23.63 +/- 0.43   0.000% *  0.1360% (0.41   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  99  24.44 +/- 0.27   0.000% *  0.1610% (0.49   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  38  20.12 +/- 1.83   0.000% *  0.0338% (0.10   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  38  23.41 +/- 0.72   0.000% *  0.0899% (0.27   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  38  28.61 +/- 0.35   0.000% *  0.0870% (0.26   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  38  28.44 +/- 0.36   0.000% *  0.0371% (0.11   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  38  30.84 +/- 0.39   0.000% *  0.0439% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 0.619, support = 0.0198, residual support = 1.38:
          HA    LEU   40 - HA    GLU- 100   6.73 +/- 0.36  13.208% * 11.5542% (0.80   0.02   0.02) =  61.286%  kept
          HA    SER   37 - HA    LYS+  38   5.18 +/- 0.03  60.615% *  0.6663% (0.05   0.02   8.38) =  16.220%  kept
          HA    SER   37 - HA    GLU- 100   8.50 +/- 0.68   3.488% * 11.0274% (0.76   0.02   0.02) =  15.446%  kept
          HA    LEU   40 - HA    LYS+  38   6.15 +/- 0.05  21.664% *  0.6982% (0.05   0.02   0.02) =   6.074%  kept
          HA    VAL   42 - HA    GLU- 100  11.95 +/- 0.38   0.407% *  3.2125% (0.22   0.02   0.02) =   0.525%
          HA    GLU-  15 - HA    GLU- 100  18.28 +/- 1.23   0.034% * 13.6497% (0.95   0.02   0.02) =   0.186%
          HA    GLN   17 - HA    GLU- 100  20.53 +/- 0.58   0.016% * 11.0274% (0.76   0.02   0.02) =   0.070%
          HA    SER   13 - HA    GLU- 100  22.51 +/- 2.09   0.011% * 13.6497% (0.95   0.02   0.02) =   0.058%
          HA    GLU-  15 - HA    LYS+  38  15.58 +/- 1.03   0.089% *  0.8248% (0.06   0.02   0.02) =   0.029%
          HA    VAL   42 - HA    LYS+  38  12.14 +/- 0.22   0.366% *  0.1941% (0.01   0.02   0.02) =   0.029%
          HA    THR   46 - HA    GLU- 100  24.30 +/- 0.44   0.006% * 12.0525% (0.84   0.02   0.02) =   0.028%
        T HA    PRO   58 - HA    GLU- 100  26.84 +/- 0.42   0.003% * 13.3201% (0.92   0.02   0.02) =   0.017%
          HA    LEU  123 - HA    GLU- 100  22.19 +/- 0.66   0.010% *  2.8556% (0.20   0.02   0.02) =   0.011%
          HA    SER   13 - HA    LYS+  38  19.45 +/- 1.76   0.025% *  0.8248% (0.06   0.02   0.02) =   0.008%
          HA    GLN   17 - HA    LYS+  38  18.48 +/- 0.46   0.030% *  0.6663% (0.05   0.02   0.02) =   0.008%
          HA    ILE   56 - HA    GLU- 100  26.09 +/- 0.30   0.004% *  1.9528% (0.14   0.02   0.02) =   0.003%
          HA    THR   46 - HA    LYS+  38  24.67 +/- 0.24   0.005% *  0.7283% (0.05   0.02   0.02) =   0.002%
        T HA    PRO   58 - HA    LYS+  38  26.07 +/- 0.33   0.004% *  0.8049% (0.06   0.02   0.02) =   0.001%
          HA    LEU  123 - HA    LYS+  38  21.38 +/- 0.72   0.013% *  0.1726% (0.01   0.02   0.02) =   0.001%
          HA    ILE   56 - HA    LYS+  38  26.14 +/- 0.28   0.004% *  0.1180% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 20 structures by 0.78 A, eliminated.
    Peak unassigned.
 
    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   3.24 +/- 0.19  96.826% * 99.9687% (1.00   3.86  14.95) =  99.999%  kept
          HN    GLY  101 - HA    LYS+  38   6.08 +/- 0.69   3.174% *  0.0313% (0.06   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3099 (10.12, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.39, residual support = 75.9:
      O   HN    GLU- 100 - HA    GLU- 100   2.21 +/- 0.08  93.293% * 99.9811% (0.84   6.39  75.86) =  99.999%  kept
          HN    GLU- 100 - HA    LYS+  38   3.69 +/- 0.53   6.707% *  0.0189% (0.05   0.02   0.02) =   0.001%
    Distance limit 3.23 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 = 0.678, support = 0.0191, residual support = 0.0191:
        T HA    LYS+  33 - HB2   GLU- 100  12.89 +/- 0.68  15.082% * 14.0027% (1.00   0.02   0.02) =  30.125%  kept
          HA    VAL   70 - HB2   GLU- 100  12.73 +/- 0.37  16.635% * 11.7220% (0.84   0.02   0.02) =  27.815%  kept
        T HA    GLN   32 - HB2   GLU- 100  11.49 +/- 0.69  30.599% *  4.3315% (0.31   0.02   0.02) =  18.906%  kept
          HB2   SER   37 - HB2   GLU- 100  11.42 +/- 0.71  31.692% *  2.7773% (0.20   0.02   0.02) =  12.556%  kept
        T HA    GLU-  29 - HB2   GLU- 100  16.70 +/- 0.71   3.200% * 13.7559% (0.98   0.02   0.02) =   6.279%  kept
          HA    VAL   18 - HB2   GLU- 100  19.53 +/- 0.39   1.261% * 13.5436% (0.97   0.02   0.02) =   2.435%
          HB2   SER   82 - HB2   GLU- 100  24.04 +/- 1.31   0.383% * 12.9548% (0.92   0.02   0.02) =   0.708%
        T HA    GLN  116 - HB2   GLU- 100  23.97 +/- 0.55   0.387% * 11.7220% (0.84   0.02   0.02) =   0.647%
          HA    ALA   88 - HB2   GLU- 100  22.36 +/- 0.60   0.580% *  4.7871% (0.34   0.02   0.02) =   0.396%
          HA    SER   48 - HB2   GLU- 100  30.48 +/- 0.44   0.089% *  7.9453% (0.57   0.02   0.02) =   0.101%
          HD2   PRO   52 - HB2   GLU- 100  30.29 +/- 0.38   0.093% *  2.4578% (0.18   0.02   0.02) =   0.033%
    Distance limit 3.77 A violated in 20 structures by 5.67 A, eliminated.
    Peak unassigned.
 
    Peak 3103 (1.31, 2.23, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.31, residual support = 40.2:
          HG2   LYS+  99 - HG2   GLU- 100   3.34 +/- 0.08  84.759% * 97.5108% (0.45   5.31  40.23) =  99.915%  kept
          HG2   LYS+  38 - HG2   GLU- 100   4.68 +/- 0.60  15.202% *  0.4637% (0.57   0.02   0.02) =   0.085%
          HB2   LEU   31 - HG2   GLU- 100  12.46 +/- 0.78   0.033% *  0.1435% (0.18   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   GLU- 100  19.06 +/- 0.56   0.002% *  0.7346% (0.90   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   GLU- 100  21.17 +/- 0.42   0.001% *  0.8029% (0.98   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   GLU- 100  21.59 +/- 0.73   0.001% *  0.1621% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG2   GLU- 100  26.32 +/- 0.57   0.000% *  0.1824% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3104 (1.31, 2.12, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 4.12, residual support = 40.2:
          HG2   LYS+  99 - HG3   GLU- 100   2.28 +/- 0.38  99.573% * 96.8122% (0.45   4.12  40.23) =  99.997%  kept
          HG2   LYS+  38 - HG3   GLU- 100   5.97 +/- 0.77   0.420% *  0.5939% (0.57   0.02   0.02) =   0.003%
          HB2   LEU   31 - HG3   GLU- 100  12.39 +/- 0.69   0.005% *  0.1837% (0.18   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLU- 100  18.07 +/- 0.45   0.001% *  0.9408% (0.90   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLU- 100  20.24 +/- 0.24   0.000% *  1.0282% (0.98   0.02   0.02) =   0.000%
          QG2   THR   23 - HG3   GLU- 100  21.34 +/- 0.58   0.000% *  0.2076% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   GLU- 100  24.79 +/- 0.58   0.000% *  0.2335% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3105 (3.81, 2.12, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.47, residual support = 75.9:
      O   HA    GLU- 100 - HG3   GLU- 100   3.14 +/- 0.25  85.348% * 98.8312% (1.00   4.47  75.86) =  99.985%  kept
          HA    LYS+  38 - HG3   GLU- 100   4.40 +/- 0.67  14.651% *  0.0877% (0.20   0.02   0.02) =   0.015%
          HA    VAL   83 - HG3   GLU- 100  20.50 +/- 0.66   0.001% *  0.4432% (1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   GLU- 100  27.37 +/- 0.26   0.000% *  0.4393% (0.99   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLU- 100  27.47 +/- 0.30   0.000% *  0.1987% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3106 (10.11, 2.12, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.33, residual support = 75.9:
          HN    GLU- 100 - HG3   GLU- 100   2.77 +/- 0.31 100.000% *100.0000% (0.97   4.33  75.86) = 100.000%  kept
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3107 (10.12, 2.23, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.52, residual support = 75.9:
          HN    GLU- 100 - HG2   GLU- 100   3.33 +/- 0.52 100.000% *100.0000% (0.84   6.52  75.86) = 100.000%  kept
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3108 (7.76, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 4.65, residual support = 158.2:
      O   HN    LYS+ 102 - QB    LYS+ 102   2.51 +/- 0.10  99.459% * 98.4446% (1.00   4.65 158.21) =  99.999%  kept
          HN    LYS+ 102 - HB    VAL   41   7.27 +/- 1.53   0.301% *  0.1903% (0.45   0.02   0.02) =   0.001%
          HN    THR   39 - HB    VAL   41   7.46 +/- 0.60   0.164% *  0.1157% (0.27   0.02   0.12) =   0.000%
          HN    GLU-  36 - HB    VAL   41   9.70 +/- 0.64   0.034% *  0.1841% (0.43   0.02   0.02) =   0.000%
          HN    THR   39 - QB    LYS+ 102  10.58 +/- 0.83   0.019% *  0.2575% (0.61   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    LYS+ 102  12.09 +/- 0.87   0.009% *  0.4097% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    VAL   41  11.56 +/- 0.63   0.012% *  0.1234% (0.29   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    LYS+ 102  14.48 +/- 0.55   0.003% *  0.2746% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3109 (8.62, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.46, residual support = 22.5:
          HN    ILE  103 - QB    LYS+ 102   3.33 +/- 0.37  99.496% * 98.9464% (1.00   5.46  22.53) =  99.999%  kept
          HN    ILE  103 - HB    VAL   41   8.70 +/- 1.13   0.473% *  0.1629% (0.45   0.02   0.02) =   0.001%
          HN    GLN   90 - HB    VAL   41  16.82 +/- 0.75   0.007% *  0.1541% (0.43   0.02   0.02) =   0.000%
          HN    GLN   90 - QB    LYS+ 102  19.09 +/- 0.70   0.003% *  0.3430% (0.95   0.02   0.02) =   0.000%
          HN    GLY  109 - QB    LYS+ 102  17.29 +/- 0.48   0.006% *  0.1908% (0.53   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    VAL   41  16.59 +/- 0.67   0.008% *  0.0857% (0.24   0.02   0.02) =   0.000%
          HN    SER   82 - HB    VAL   41  18.19 +/- 0.45   0.004% *  0.0363% (0.10   0.02   0.02) =   0.000%
          HN    SER   82 - QB    LYS+ 102  21.07 +/- 0.61   0.002% *  0.0807% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 0.726, support = 4.4, residual support = 158.2:
          HN    LYS+ 102 - HG2   LYS+ 102   3.68 +/- 0.34  97.473% * 99.2089% (0.73   4.40 158.21) =  99.994%  kept
          HN    ASP- 105 - HG2   LYS+ 102   8.60 +/- 1.80   2.385% *  0.2330% (0.38   0.02   0.02) =   0.006%
          HN    GLU-  36 - HG2   LYS+ 102  13.65 +/- 1.26   0.046% *  0.3266% (0.53   0.02   0.02) =   0.000%
          HN    THR   39 - HG2   LYS+ 102  12.27 +/- 0.82   0.083% *  0.1087% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG2   LYS+ 102  16.57 +/- 0.84   0.013% *  0.1228% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 0.56, support = 0.0166, residual support = 0.0166:
          HB    THR   94 - HA    ILE  103  12.94 +/- 0.31  21.766% *  8.0503% (0.76   0.02   0.02) =  32.168%  kept
          HA    LYS+ 121 - HA    ILE  103  14.20 +/- 0.34  12.522% *  7.2359% (0.69   0.02   0.02) =  16.635%  kept
        T QB    SER  117 - HA    ILE  103  13.82 +/- 0.41  14.774% *  3.5932% (0.34   0.02   0.02) =   9.746%  kept
          HA2   GLY   16 - HA    THR   39  13.57 +/- 0.73  16.993% *  3.1212% (0.30   0.02   0.02) =   9.737%  kept
        T QB    SER   85 - HA    ILE  103  16.44 +/- 0.53   5.216% *  9.4472% (0.90   0.02   0.02) =   9.046%  kept
          HA    ALA  120 - HA    ILE  103  18.02 +/- 0.25   2.978% * 10.4407% (0.99   0.02   0.02) =   5.708%  kept
          HA    LYS+  65 - HA    THR   39  15.04 +/- 0.51   8.928% *  2.9069% (0.28   0.02   0.02) =   4.765%
          HA    LYS+  65 - HA    ILE  103  19.78 +/- 0.23   1.706% *  8.7987% (0.84   0.02   0.02) =   2.756%
          HA    LYS+ 121 - HA    THR   39  16.18 +/- 0.50   5.737% *  2.3906% (0.23   0.02   0.02) =   2.518%
          HA2   GLY   16 - HA    ILE  103  21.36 +/- 0.75   1.095% *  9.4472% (0.90   0.02   0.02) =   1.899%
        T QB    SER   48 - HA    ILE  103  22.23 +/- 0.46   0.847% *  9.1375% (0.87   0.02   0.02) =   1.420%
          HA    ALA  120 - HA    THR   39  19.36 +/- 0.57   1.946% *  3.4494% (0.33   0.02   0.02) =   1.232%
          HB    THR   94 - HA    THR   39  20.48 +/- 0.31   1.382% *  2.6597% (0.25   0.02   0.02) =   0.675%
        T QB    SER  117 - HA    THR   39  19.49 +/- 0.47   1.864% *  1.1871% (0.11   0.02   0.02) =   0.406%
        T QB    SER   85 - HA    THR   39  23.21 +/- 0.37   0.652% *  3.1212% (0.30   0.02   0.02) =   0.374%
        T HA2   GLY   51 - HA    ILE  103  26.46 +/- 0.22   0.295% *  6.3892% (0.61   0.02   0.02) =   0.347%
        T HD2   PRO   52 - HA    ILE  103  23.00 +/- 0.24   0.686% *  2.6267% (0.25   0.02   0.02) =   0.331%
        T QB    SER   48 - HA    THR   39  26.65 +/- 0.26   0.284% *  3.0188% (0.29   0.02   0.02) =   0.157%
        T HA2   GLY   51 - HA    THR   39  30.64 +/- 0.31   0.123% *  2.1109% (0.20   0.02   0.02) =   0.048%
        T HD2   PRO   52 - HA    THR   39  28.12 +/- 0.23   0.205% *  0.8678% (0.08   0.02   0.02) =   0.033%
    Distance limit 3.56 A violated in 20 structures by 6.97 A, eliminated.
    Peak unassigned.
 
    Peak 3113 (9.38, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.92, residual support = 36.3:
      O   HN    LEU  104 - HA    ILE  103   2.19 +/- 0.02  99.981% * 99.6531% (0.92   6.92  36.29) = 100.000%  kept
          HN    LEU  104 - HA    THR   39  10.80 +/- 0.40   0.007% *  0.0951% (0.30   0.02   0.02) =   0.000%
          HN    PHE   72 - HA    THR   39  10.17 +/- 0.34   0.010% *  0.0625% (0.20   0.02   0.02) =   0.000%
          HN    PHE   72 - HA    ILE  103  14.55 +/- 0.29   0.001% *  0.1892% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 0.356, support = 3.38, residual support = 33.3:
      O   HN    THR   39 - HA    THR   39   2.90 +/- 0.02  95.337% * 31.4038% (0.33   3.36  34.36) =  91.184%  kept
          HN    LYS+ 102 - HA    ILE  103   4.86 +/- 0.13   4.393% * 65.8826% (0.65   3.57  22.53) =   8.814%  kept
          HN    GLU-  36 - HA    THR   39   8.47 +/- 0.13   0.154% *  0.1573% (0.28   0.02   0.02) =   0.001%
          HN    THR   39 - HA    ILE  103  12.02 +/- 0.46   0.019% *  0.5651% (0.99   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  12.37 +/- 0.51   0.016% *  0.5689% (1.00   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    THR   39   9.92 +/- 0.58   0.062% *  0.1218% (0.21   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  14.25 +/- 0.51   0.007% *  0.4762% (0.84   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  17.10 +/- 0.62   0.002% *  0.2775% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  19.11 +/- 0.27   0.001% *  0.1879% (0.33   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  17.76 +/- 0.77   0.002% *  0.1128% (0.20   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  17.25 +/- 0.46   0.002% *  0.0917% (0.16   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE  103  18.96 +/- 0.26   0.001% *  0.0880% (0.15   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    THR   39  19.26 +/- 0.49   0.001% *  0.0291% (0.05   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  25.83 +/- 0.69   0.000% *  0.0373% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 4.31, residual support = 26.8:
        T QD1   LEU   98 - HA    ILE  103   2.66 +/- 0.35  99.922% * 98.3766% (0.41   4.31  26.76) = 100.000%  kept
          QD1   LEU   98 - HA    THR   39   9.99 +/- 0.60   0.057% *  0.1507% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   19 - HA    THR   39  11.87 +/- 0.30   0.016% *  0.3657% (0.33   0.02   0.02) =   0.000%
          QG2   ILE   19 - HA    ILE  103  14.51 +/- 0.59   0.005% *  1.1070% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3116 (7.78, 0.98, 18.17 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 2.93, residual support = 5.31:
          HN    ASP- 105 - QG2   ILE  103   2.74 +/- 0.32  99.214% * 97.1255% (0.38   2.93   5.31) =  99.990%  kept
          HN    LYS+ 102 - QG2   ILE  103   6.45 +/- 0.12   0.732% *  1.2843% (0.73   0.02  22.53) =   0.010%
          HD1   TRP   87 - QG2   ILE  103  10.61 +/- 0.45   0.037% *  0.3500% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   ILE  103  14.59 +/- 0.47   0.005% *  0.9305% (0.53   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   ILE  103  12.64 +/- 0.40   0.012% *  0.3097% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3117 (9.39, 0.98, 18.17 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 6.64, residual support = 36.3:
          HN    LEU  104 - QG2   ILE  103   3.13 +/- 0.20  99.985% * 99.9412% (0.90   6.64  36.29) = 100.000%  kept
          HN    PHE   72 - QG2   ILE  103  13.70 +/- 0.43   0.015% *  0.0588% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 6.7, residual support = 137.4:
      O   HN    ILE  103 - HB    ILE  103   2.09 +/- 0.05  99.998% * 99.4965% (1.00   6.70 137.42) = 100.000%  kept
          HN    GLY  109 - HB    ILE  103  14.08 +/- 0.37   0.001% *  0.1563% (0.53   0.02   0.02) =   0.000%
          HN    GLN   90 - HB    ILE  103  16.39 +/- 0.75   0.000% *  0.2810% (0.95   0.02   0.02) =   0.000%
          HN    SER   82 - HB    ILE  103  20.04 +/- 0.67   0.000% *  0.0661% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3119 (4.31, 1.82, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.2, support = 5.98, residual support = 137.4:
      O T HA    ILE  103 - HG12  ILE  103   2.56 +/- 0.34  99.610% * 93.3707% (0.20   5.98 137.42) =  99.996%  kept
          HA    LEU  104 - HG12  ILE  103   6.68 +/- 0.23   0.363% *  0.9572% (0.61   0.02  36.29) =   0.004%
          HA    ASP-  86 - HG12  ILE  103  12.47 +/- 0.71   0.010% *  1.2498% (0.80   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG12  ILE  103  11.98 +/- 0.44   0.012% *  0.5149% (0.33   0.02   0.02) =   0.000%
          HA    SER   85 - HG12  ILE  103  14.89 +/- 0.57   0.003% *  0.4273% (0.27   0.02   0.02) =   0.000%
          HB    THR   77 - HG12  ILE  103  17.98 +/- 0.36   0.001% *  0.4273% (0.27   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG12  ILE  103  24.86 +/- 1.55   0.000% *  1.2498% (0.80   0.02   0.02) =   0.000%
          HA    ALA   12 - HG12  ILE  103  29.63 +/- 1.89   0.000% *  1.2415% (0.79   0.02   0.02) =   0.000%
          HA    MET   11 - HG12  ILE  103  31.84 +/- 3.01   0.000% *  0.5616% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 6.87, residual support = 137.4:
          HN    ILE  103 - HG12  ILE  103   3.02 +/- 0.23  99.976% * 99.5090% (0.80   6.87 137.42) = 100.000%  kept
          HN    GLY  109 - HG12  ILE  103  13.61 +/- 0.33   0.014% *  0.1524% (0.42   0.02   0.02) =   0.000%
          HN    GLN   90 - HG12  ILE  103  15.03 +/- 0.57   0.007% *  0.2741% (0.76   0.02   0.02) =   0.000%
          HN    SER   82 - HG12  ILE  103  18.04 +/- 0.64   0.002% *  0.0645% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3121 (1.18, 1.82, 28.60 ppm):
    6 chemical-shift based assignments, quality = 0.581, support = 4.3, residual support = 137.4:
      O T HG13  ILE  103 - HG12  ILE  103   1.75 +/- 0.00  99.989% * 98.4071% (0.58   4.30 137.42) = 100.000%  kept
          QG2   THR   94 - HG12  ILE  103   8.33 +/- 0.26   0.009% *  0.4817% (0.61   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG12  ILE  103  11.01 +/- 0.38   0.002% *  0.1753% (0.22   0.02   0.02) =   0.000%
        T HB3   LEU   71 - HG12  ILE  103  14.71 +/- 0.67   0.000% *  0.1946% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG12  ILE  103  21.68 +/- 0.46   0.000% *  0.5048% (0.64   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG12  ILE  103  23.14 +/- 0.47   0.000% *  0.2366% (0.30   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3122 (0.98, 1.82, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.476, support = 4.76, residual support = 137.4:
      O T QD1   ILE  103 - HG12  ILE  103   2.14 +/- 0.01  89.738% * 29.4597% (0.39   4.61 137.42) =  78.925%  kept
      O T QG2   ILE  103 - HG12  ILE  103   3.13 +/- 0.20  10.165% * 69.4405% (0.80   5.31 137.42) =  21.074%  kept
          QD2   LEU   40 - HG12  ILE  103   7.00 +/- 0.63   0.090% *  0.2481% (0.76   0.02   0.02) =   0.001%
          QD1   LEU   67 - HG12  ILE  103  11.41 +/- 0.61   0.004% *  0.2531% (0.77   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG12  ILE  103  14.25 +/- 0.67   0.001% *  0.1591% (0.49   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  103  13.26 +/- 0.52   0.002% *  0.0984% (0.30   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  103  18.75 +/- 0.69   0.000% *  0.2600% (0.79   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG12  ILE  103  16.67 +/- 0.39   0.000% *  0.0810% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 5.06, residual support = 26.8:
          QD1   LEU   98 - HG12  ILE  103   2.14 +/- 0.48  99.998% * 99.7160% (0.72   5.06  26.76) = 100.000%  kept
          QG2   ILE   19 - HG12  ILE  103  14.45 +/- 0.93   0.002% *  0.2840% (0.52   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 0.76, support = 4.04, residual support = 137.4:
      O   QD1   ILE  103 - HG13  ILE  103   2.15 +/- 0.01  65.509% * 79.5800% (0.84   3.97 137.42) =  88.580%  kept
      O   QG2   ILE  103 - HG13  ILE  103   2.41 +/- 0.19  34.489% * 19.4882% (0.18   4.63 137.42) =  11.420%  kept
          QD2   LEU   71 - HG13  ILE  103  13.99 +/- 0.56   0.001% *  0.3487% (0.73   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG13  ILE  103  15.58 +/- 0.33   0.000% *  0.4634% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  103  17.93 +/- 0.58   0.000% *  0.1197% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 2.55, residual support = 26.8:
          QD1   LEU   98 - HG13  ILE  103   2.71 +/- 0.60  99.989% * 99.4371% (0.90   2.55  26.76) = 100.000%  kept
          QG2   ILE   19 - HG13  ILE  103  14.22 +/- 0.74   0.011% *  0.5629% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 0.504, support = 0.0194, residual support = 0.0194:
          HD1   TRP   27 - QD1   ILE  103  10.64 +/- 0.82  59.432% * 17.5479% (0.45   0.02   0.02) =  53.315%  kept
          QD    PHE   59 - QD1   ILE  103  12.45 +/- 0.76  25.160% * 17.5479% (0.45   0.02   0.02) =  22.571%  kept
          HE21  GLN   30 - QD1   ILE  103  13.57 +/- 0.81  13.752% * 30.1124% (0.77   0.02   0.02) =  21.170%  kept
          HH2   TRP   49 - QD1   ILE  103  19.53 +/- 0.99   1.655% * 34.7918% (0.89   0.02   0.02) =   2.944%
    Distance limit 4.45 A violated in 20 structures by 5.29 A, eliminated.
    Peak unassigned.
 
    Peak 3127 (7.70, 0.96, 13.94 ppm):
    6 chemical-shift based assignments, quality = 0.51, support = 0.0195, residual support = 0.0195:
          HE3   TRP   87 - QD1   ILE  103   4.34 +/- 0.70  97.895% * 16.9137% (0.52   0.02   0.02) =  97.510%  kept
          HN    TRP   87 - QD1   ILE  103   8.57 +/- 0.64   1.776% * 21.6935% (0.67   0.02   0.02) =   2.269%
          HD21  ASN   69 - QD1   ILE  103  16.19 +/- 1.47   0.067% * 20.5212% (0.63   0.02   0.02) =   0.081%
          HN    ALA   91 - QD1   ILE  103  12.45 +/- 1.14   0.190% *  6.6512% (0.21   0.02   0.02) =   0.074%
          HN    GLN   17 - QD1   ILE  103  18.05 +/- 0.57   0.029% * 25.9142% (0.80   0.02   0.02) =   0.044%
          HN    ALA   61 - QD1   ILE  103  16.46 +/- 0.75   0.044% *  8.3063% (0.26   0.02   0.02) =   0.021%
    Distance limit 4.06 A violated in 11 structures by 0.41 A, eliminated.
    Peak unassigned.
 
    Peak 3128 (8.62, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.65, residual support = 137.4:
          HN    ILE  103 - QD1   ILE  103   3.40 +/- 0.72  99.551% * 99.4034% (0.92   5.65 137.42) =  99.999%  kept
          HN    GLY  109 - QD1   ILE  103  10.20 +/- 0.98   0.293% *  0.1852% (0.49   0.02   0.02) =   0.001%
          HN    GLN   90 - QD1   ILE  103  11.59 +/- 0.96   0.131% *  0.3330% (0.87   0.02   0.02) =   0.000%
          HN    SER   82 - QD1   ILE  103  14.60 +/- 0.56   0.026% *  0.0784% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3129 (4.29, 1.16, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 137.4:
      O   HA    ILE  103 - HG13  ILE  103   2.59 +/- 0.44  99.431% * 96.6837% (0.73   5.40 137.42) =  99.999%  kept
          HA    LEU  104 - HG13  ILE  103   6.41 +/- 0.35   0.511% *  0.1372% (0.28   0.02  36.29) =   0.001%
          HA    ASP-  44 - HG13  ILE  103  10.82 +/- 0.37   0.027% *  0.4424% (0.90   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG13  ILE  103  12.65 +/- 0.65   0.016% *  0.3582% (0.73   0.02   0.02) =   0.000%
          HA    SER   85 - HG13  ILE  103  14.64 +/- 0.53   0.006% *  0.4120% (0.84   0.02   0.02) =   0.000%
          HA    THR   39 - HG13  ILE  103  13.64 +/- 0.56   0.006% *  0.1372% (0.28   0.02   0.02) =   0.000%
          HB    THR   77 - HG13  ILE  103  17.22 +/- 0.33   0.002% *  0.4120% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG13  ILE  103  20.50 +/- 0.57   0.001% *  0.1683% (0.34   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG13  ILE  103  24.59 +/- 1.45   0.000% *  0.3191% (0.65   0.02   0.02) =   0.000%
          HA    ALA   12 - HG13  ILE  103  29.46 +/- 2.02   0.000% *  0.3770% (0.76   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG13  ILE  103  24.42 +/- 0.25   0.000% *  0.0976% (0.20   0.02   0.02) =   0.000%
          HA    MET   11 - HG13  ILE  103  31.73 +/- 3.19   0.000% *  0.4554% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 6.19, residual support = 137.4:
          HN    ILE  103 - HG13  ILE  103   3.98 +/- 0.11  99.823% * 99.4556% (1.00   6.19 137.42) = 100.000%  kept
          HN    GLY  109 - HG13  ILE  103  12.37 +/- 0.30   0.115% *  0.1690% (0.53   0.02   0.02) =   0.000%
          HN    GLN   90 - HG13  ILE  103  14.22 +/- 0.54   0.050% *  0.3039% (0.95   0.02   0.02) =   0.000%
          HN    SER   82 - HG13  ILE  103  17.99 +/- 0.56   0.012% *  0.0715% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3131 (8.60, 0.98, 18.17 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.27, residual support = 137.4:
          HN    ILE  103 - QG2   ILE  103   3.52 +/- 0.06  99.790% * 99.2281% (0.69   6.27 137.42) =  99.999%  kept
          HN    GLY  109 - QG2   ILE  103  10.27 +/- 0.29   0.165% *  0.4449% (0.97   0.02   0.02) =   0.001%
          HN    GLN   90 - QG2   ILE  103  12.93 +/- 0.60   0.043% *  0.2244% (0.49   0.02   0.02) =   0.000%
          HE1   HIS   22 - QG2   ILE  103  20.76 +/- 0.90   0.002% *  0.1026% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3132 (4.62, 1.86, 38.31 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.77, residual support = 22.5:
          HA    LYS+ 102 - HB    ILE  103   4.29 +/- 0.09  99.970% * 98.7641% (0.38   4.77  22.53) = 100.000%  kept
          HA    ALA   20 - HB    ILE  103  21.01 +/- 0.53   0.007% *  1.0177% (0.92   0.02   0.02) =   0.000%
          HA    LEU   71 - HB    ILE  103  17.42 +/- 0.32   0.023% *  0.2182% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3133 (2.98, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.82, support = 4.49, residual support = 15.1:
        T HB2   PHE   97 - HB2   LEU  104   3.39 +/- 0.28  83.794% * 98.7017% (0.82   4.49  15.08) =  99.976%  kept
          QE    LYS+  99 - HB2   LEU  104   5.05 +/- 0.98  15.735% *  0.1158% (0.22   0.02  17.69) =   0.022%
          QE    LYS+ 106 - HB2   LEU  104   8.50 +/- 1.02   0.453% *  0.4165% (0.78   0.02   0.02) =   0.002%
          HB3   PHE   60 - HB2   LEU  104  14.76 +/- 0.50   0.013% *  0.3373% (0.63   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   LEU  104  17.19 +/- 0.55   0.005% *  0.4287% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3134 (7.80, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.821, support = 6.53, residual support = 36.2:
          HN    ASP- 105 - HB2   LEU  104   2.80 +/- 0.20  99.998% * 99.8786% (0.82   6.53  36.20) = 100.000%  kept
          HN    ALA   88 - HB2   LEU  104  17.62 +/- 0.54   0.002% *  0.1214% (0.33   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3135 (9.36, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.357, support = 7.38, residual support = 218.6:
      O   HN    LEU  104 - HB2   LEU  104   2.34 +/- 0.13  99.997% * 99.3465% (0.36   7.38 218.62) = 100.000%  kept
          HN    PHE   72 - HB2   LEU  104  13.16 +/- 0.30   0.003% *  0.6535% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3136 (9.38, 0.86, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.85, residual support = 218.6:
      O   HN    LEU  104 - HB3   LEU  104   3.54 +/- 0.07  99.978% * 99.8084% (0.71   6.85 218.62) = 100.000%  kept
          HN    PHE   72 - HB3   LEU  104  14.44 +/- 0.40   0.022% *  0.1916% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3137 (9.38, 1.53, 26.82 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 7.41, residual support = 218.6:
          HN    LEU  104 - HG    LEU  104   2.91 +/- 0.36  99.989% * 99.8230% (0.92   7.41 218.62) = 100.000%  kept
          HN    PHE   72 - HG    LEU  104  13.76 +/- 0.69   0.011% *  0.1770% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3138 (8.33, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 1.5, residual support = 17.7:
          HN    LYS+  99 - HG    LEU  104   3.08 +/- 0.43  99.855% * 96.3289% (0.98   1.50  17.69) =  99.998%  kept
          HE1   HIS  122 - HG    LEU  104  10.45 +/- 2.79   0.137% *  1.3074% (1.00   0.02   0.02) =   0.002%
          HN    GLN   30 - HG    LEU  104  16.59 +/- 0.72   0.005% *  0.5875% (0.45   0.02   0.02) =   0.000%
          HN    GLU-  14 - HG    LEU  104  22.57 +/- 1.69   0.001% *  1.2844% (0.98   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG    LEU  104  19.40 +/- 0.62   0.002% *  0.4918% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3140 (9.36, 0.60, 26.08 ppm):
    6 chemical-shift based assignments, quality = 0.397, support = 6.85, residual support = 218.6:
          HN    LEU  104 - QD1   LEU  104   3.78 +/- 0.57  91.458% * 98.9338% (0.40   6.85 218.62) =  99.987%  kept
          HN    PHE   72 - QD1   LEU   73   6.06 +/- 0.09   6.719% *  0.1292% (0.18   0.02  27.39) =   0.010%
          HN    PHE   72 - QD1   LEU   63   8.32 +/- 0.57   1.119% *  0.1292% (0.18   0.02  18.81) =   0.002%
          HN    PHE   72 - QD1   LEU  104  11.76 +/- 0.75   0.143% *  0.7014% (0.96   0.02   0.02) =   0.001%
          HN    LEU  104 - QD1   LEU   63   9.77 +/- 0.31   0.386% *  0.0532% (0.07   0.02   0.02) =   0.000%
          HN    LEU  104 - QD1   LEU   73  11.14 +/- 0.31   0.175% *  0.0532% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3141 (1.75, 0.60, 26.08 ppm):
    12 chemical-shift based assignments, quality = 0.397, support = 3.26, residual support = 17.7:
        T HB2   LYS+  99 - QD1   LEU  104   2.06 +/- 0.28  99.353% * 96.9647% (0.40   3.26  17.69) =  99.999%  kept
          HB    VAL   43 - QD1   LEU   73   5.51 +/- 0.50   0.575% *  0.1402% (0.09   0.02   9.57) =   0.001%
          HB    VAL   43 - QD1   LEU   63   8.04 +/- 0.48   0.041% *  0.1402% (0.09   0.02   0.02) =   0.000%
        T HB    VAL   43 - QD1   LEU  104  10.69 +/- 0.52   0.006% *  0.7610% (0.51   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   73  10.92 +/- 0.51   0.007% *  0.1194% (0.08   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   73  11.31 +/- 0.65   0.007% *  0.1095% (0.07   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   63  11.44 +/- 0.44   0.005% *  0.1095% (0.07   0.02   0.02) =   0.000%
        T HB    ILE   89 - QD1   LEU  104  16.66 +/- 0.67   0.000% *  0.6485% (0.43   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   63  12.85 +/- 0.44   0.002% *  0.1194% (0.08   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   73  13.21 +/- 0.29   0.002% *  0.1194% (0.08   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU  104  21.23 +/- 0.74   0.000% *  0.6485% (0.43   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   63  17.18 +/- 0.43   0.000% *  0.1194% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3142 (1.76, 0.73, 22.45 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 2.0, residual support = 17.7:
          HB2   LYS+  99 - QD2   LEU  104   2.59 +/- 0.34  95.161% * 97.0073% (0.90   2.00  17.69) =  99.997%  kept
          HB2   LYS+  99 - QG1   VAL   41   5.30 +/- 0.47   2.216% *  0.0521% (0.05   0.02   0.02) =   0.001%
          HB3   GLN   17 - QG2   VAL   18   5.15 +/- 0.50   2.169% *  0.0414% (0.04   0.02  51.20) =   0.001%
        T HB    VAL   43 - QD2   LEU  104  11.03 +/- 0.47   0.019% *  1.0439% (0.97   0.02   0.02) =   0.000%
        T HB    VAL   43 - QG1   VAL   41   7.00 +/- 0.41   0.332% *  0.0561% (0.05   0.02   2.98) =   0.000%
        T HB    VAL   43 - QG2   VAL   18   8.83 +/- 0.90   0.087% *  0.1604% (0.15   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG2   VAL   18  14.81 +/- 1.14   0.004% *  0.1491% (0.14   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU  104  21.12 +/- 0.66   0.000% *  0.9985% (0.92   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   VAL   18  15.57 +/- 0.39   0.002% *  0.1534% (0.14   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  18.78 +/- 0.65   0.001% *  0.2697% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  13.47 +/- 0.50   0.006% *  0.0145% (0.01   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   41  17.19 +/- 0.36   0.001% *  0.0536% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3144 (1.87, 2.23, 47.73 ppm):
    13 chemical-shift based assignments, quality = 0.723, support = 3.1, residual support = 40.4:
      O T HB3   ASP- 105 - HB2   ASP- 105   1.75 +/- 0.00  99.853% * 93.2993% (0.72   3.10  40.39) =  99.999%  kept
          QB    LYS+ 106 - HB2   ASP- 105   5.30 +/- 0.26   0.138% *  0.7715% (0.93   0.02  20.85) =   0.001%
          HB    ILE  103 - HB2   ASP- 105   8.55 +/- 0.28   0.008% *  0.5407% (0.65   0.02   5.31) =   0.000%
          HB    ILE   56 - HB2   ASP- 105  14.63 +/- 0.36   0.000% *  0.6827% (0.82   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP- 105  17.56 +/- 0.53   0.000% *  0.5715% (0.69   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   ASP- 105  18.45 +/- 0.40   0.000% *  0.6827% (0.82   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP- 105  17.66 +/- 0.41   0.000% *  0.5092% (0.61   0.02   0.02) =   0.000%
        T HB2   MET   92 - HB2   ASP- 105  16.59 +/- 0.64   0.000% *  0.2954% (0.36   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP- 105  19.88 +/- 0.82   0.000% *  0.7266% (0.87   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP- 105  18.21 +/- 0.64   0.000% *  0.4141% (0.50   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP- 105  21.56 +/- 0.42   0.000% *  0.7596% (0.91   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ASP- 105  16.91 +/- 0.35   0.000% *  0.1752% (0.21   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP- 105  22.13 +/- 0.62   0.000% *  0.5715% (0.69   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3145 (0.25, 2.23, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 1.5, residual support = 5.43:
        T QG2   THR  118 - HB2   ASP- 105   3.05 +/- 0.15 100.000% *100.0000% (0.54   1.50   5.43) = 100.000%  kept
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3146 (0.25, 1.86, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 1.5, residual support = 5.43:
        T QG2   THR  118 - HB3   ASP- 105   3.46 +/- 0.08 100.000% *100.0000% (0.57   1.50   5.43) = 100.000%  kept
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3147 (2.98, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.89, support = 4.53, residual support = 54.9:
          HB2   PHE   97 - HB2   ASP- 105   3.83 +/- 0.22  84.997% * 57.8957% (0.89   4.66  59.09) =  89.137%  kept
          QE    LYS+ 106 - HB2   ASP- 105   6.20 +/- 1.41  14.413% * 41.6053% (0.85   3.53  20.85) =  10.862%  kept
          QE    LYS+  99 - HB2   ASP- 105   9.36 +/- 0.94   0.505% *  0.0655% (0.24   0.02   0.02) =   0.001%
          HB3   PHE   60 - HB2   ASP- 105  12.33 +/- 0.51   0.079% *  0.1909% (0.69   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   ASP- 105  19.06 +/- 0.56   0.006% *  0.2427% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3148 (3.00, 1.86, 47.73 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.79, residual support = 59.1:
        T HB2   PHE   97 - HB3   ASP- 105   2.48 +/- 0.34  99.218% * 98.2207% (0.87   3.79  59.09) =  99.998%  kept
        T QE    LYS+ 106 - HB3   ASP- 105   6.66 +/- 1.17   0.637% *  0.2454% (0.41   0.02  20.85) =   0.002%
          QE    LYS+  99 - HB3   ASP- 105   8.35 +/- 0.89   0.114% *  0.4334% (0.73   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HB3   ASP- 105  11.11 +/- 0.69   0.018% *  0.1488% (0.25   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   ASP- 105  11.77 +/- 0.86   0.010% *  0.1488% (0.25   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   ASP- 105  17.80 +/- 0.74   0.001% *  0.5353% (0.90   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   ASP- 105  17.19 +/- 0.57   0.001% *  0.2676% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3149 (4.79, 1.86, 47.73 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 40.4:
      O T HA    ASP- 105 - HB3   ASP- 105   3.01 +/- 0.03  99.998% * 99.0793% (0.87   3.00  40.39) = 100.000%  kept
          HA    LEU   80 - HB3   ASP- 105  21.97 +/- 0.87   0.001% *  0.3414% (0.45   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP- 105  24.29 +/- 0.62   0.000% *  0.4619% (0.61   0.02   0.02) =   0.000%
          HA    THR   23 - HB3   ASP- 105  22.87 +/- 0.62   0.001% *  0.1175% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 4.39, residual support = 40.4:
      O   HN    ASP- 105 - HB3   ASP- 105   3.06 +/- 0.19  99.996% * 99.8197% (0.95   4.39  40.39) = 100.000%  kept
          HN    ALA   88 - HB3   ASP- 105  16.61 +/- 0.69   0.004% *  0.1803% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 3.59, residual support = 20.8:
          HN    LYS+ 106 - HB3   ASP- 105   3.51 +/- 0.32  99.449% * 99.5118% (0.18   3.59  20.85) =  99.997%  kept
          HN    VAL   41 - HB3   ASP- 105   8.49 +/- 0.24   0.551% *  0.4882% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3152 (7.13, 2.23, 47.73 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.4, residual support = 59.1:
          QD    PHE   97 - HB2   ASP- 105   3.47 +/- 0.72  99.821% * 99.3109% (0.87   3.40  59.09) =  99.999%  kept
          HZ3   TRP   87 - HB2   ASP- 105  10.90 +/- 0.48   0.178% *  0.5483% (0.82   0.02   0.02) =   0.001%
          HE3   TRP   49 - HB2   ASP- 105  24.47 +/- 0.38   0.001% *  0.1407% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 4.71, residual support = 40.4:
      O   HN    ASP- 105 - HB2   ASP- 105   3.89 +/- 0.07  99.985% * 99.8317% (0.89   4.71  40.39) = 100.000%  kept
          HN    ALA   88 - HB2   ASP- 105  17.02 +/- 0.45   0.015% *  0.1683% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 3.72, residual support = 20.8:
          HN    LYS+ 106 - HB2   ASP- 105   2.75 +/- 0.17  99.950% * 99.5280% (0.17   3.72  20.85) = 100.000%  kept
          HN    VAL   41 - HB2   ASP- 105   9.93 +/- 0.25   0.050% *  0.4720% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3155 (5.30, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.13, residual support = 2.26:
        T HA    MET   96 - HA    LYS+ 106   2.79 +/- 0.31  99.977% * 99.2414% (0.87   1.13   2.26) = 100.000%  kept
          HA    PHE   72 - HA    LYS+ 106  11.52 +/- 0.31   0.023% *  0.7586% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3156 (7.15, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 3.18, residual support = 11.1:
          QD    PHE   97 - HA    LYS+ 106   3.08 +/- 0.59  99.230% * 99.4767% (0.45   3.18  11.08) =  99.996%  kept
          HZ3   TRP   87 - HA    LYS+ 106   7.62 +/- 0.52   0.770% *  0.5233% (0.38   0.02   0.02) =   0.004%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3157 (8.40, 5.63, 56.31 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 3.28, residual support = 11.1:
          HN    PHE   97 - HA    LYS+ 106   3.16 +/- 0.17  99.822% * 99.2074% (0.90   3.28  11.08) =  99.999%  kept
          HN    LEU  115 - HA    LYS+ 106   9.39 +/- 0.24   0.154% *  0.6050% (0.90   0.02   0.02) =   0.001%
          HN    ASP- 113 - HA    LYS+ 106  12.77 +/- 0.21   0.024% *  0.1876% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3158 (8.98, 5.63, 56.31 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 5.18, residual support = 131.6:
      O   HN    LYS+ 106 - HA    LYS+ 106   2.85 +/- 0.01 100.000% *100.0000% (0.61   5.18 131.61) = 100.000%  kept
    Distance limit 3.92 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 = 4.25, residual support = 19.8:
      O   HN    VAL  107 - HA    LYS+ 106   2.24 +/- 0.06 100.000% * 99.5275% (0.99   4.25  19.85) = 100.000%  kept
          HN    GLY   51 - HA    LYS+ 106  19.03 +/- 0.17   0.000% *  0.4725% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 5.23, residual support = 131.6:
      O   HN    LYS+ 106 - QB    LYS+ 106   3.29 +/- 0.21  99.793% * 99.6642% (0.18   5.23 131.61) =  99.999%  kept
          HN    VAL   41 - QB    LYS+ 106   9.48 +/- 0.52   0.207% *  0.3358% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.91 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 = 4.27, residual support = 19.8:
          HN    VAL  107 - QB    LYS+ 106   3.12 +/- 0.19  99.997% * 99.5295% (0.99   4.27  19.85) = 100.000%  kept
          HN    GLY   51 - QB    LYS+ 106  17.53 +/- 0.37   0.003% *  0.4705% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3162 (1.39, 1.87, 37.27 ppm):
    13 chemical-shift based assignments, quality = 0.607, support = 5.73, residual support = 131.6:
      O T HG3   LYS+ 106 - QB    LYS+ 106   2.43 +/- 0.08  99.627% * 95.5778% (0.61   5.73 131.61) =  99.999%  kept
        T QB    LEU   98 - QB    LYS+ 106   6.79 +/- 0.65   0.254% *  0.3991% (0.73   0.02   0.02) =   0.001%
          HB    VAL   42 - QB    LYS+ 106   9.67 +/- 0.70   0.027% *  0.4929% (0.90   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+ 106   9.06 +/- 0.69   0.042% *  0.2259% (0.41   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QB    LYS+ 106  10.77 +/- 0.70   0.014% *  0.4401% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 106  12.50 +/- 1.19   0.006% *  0.4590% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 106  10.03 +/- 0.38   0.021% *  0.0744% (0.14   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+ 106  13.92 +/- 0.21   0.003% *  0.3991% (0.73   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 106  15.31 +/- 0.73   0.002% *  0.2464% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+ 106  14.61 +/- 0.96   0.002% *  0.1528% (0.28   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 106  17.76 +/- 0.69   0.001% *  0.5199% (0.95   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 106  18.29 +/- 0.93   0.001% *  0.4929% (0.90   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 106  23.34 +/- 1.55   0.000% *  0.5199% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 0.959, support = 0.0192, residual support = 0.0192:
          QG2   VAL  108 - QB    LYS+ 106   4.09 +/- 0.24  95.969% * 32.3606% (1.00   0.02   0.02) =  96.123%  kept
          HB2   LEU  104 - QB    LYS+ 106   7.12 +/- 0.22   3.727% * 31.7904% (0.98   0.02   0.02) =   3.667%
          QD1   ILE  119 - QB    LYS+ 106  11.18 +/- 0.27   0.250% * 24.7859% (0.76   0.02   0.02) =   0.192%
          HG3   LYS+ 112 - QB    LYS+ 106  14.41 +/- 0.32   0.054% * 11.0630% (0.34   0.02   0.02) =   0.018%
    Distance limit 3.81 A violated in 14 structures by 0.30 A, eliminated.
    Peak unassigned.
 
    Peak 3164 (1.16, 1.87, 37.27 ppm):
    6 chemical-shift based assignments, quality = 0.837, support = 0.02, residual support = 2.01:
          HG13  ILE  103 - QB    LYS+ 106   4.11 +/- 0.42  46.700% * 32.4723% (1.00   0.02   0.02) =  70.980%  kept
          QG2   THR   94 - QB    LYS+ 106   4.12 +/- 0.34  44.487% *  9.0486% (0.28   0.02   0.02) =  18.842%  kept
          QG2   VAL  107 - QB    LYS+ 106   5.39 +/- 0.14   8.635% * 24.8714% (0.76   0.02  19.85) =  10.053%  kept
          HG2   LYS+ 121 - QB    LYS+ 106  10.90 +/- 0.42   0.136% * 17.1224% (0.53   0.02   0.02) =   0.109%
          HB3   LYS+ 112 - QB    LYS+ 106  14.06 +/- 0.26   0.028% * 10.0448% (0.31   0.02   0.02) =   0.013%
          QB    ALA   20 - QB    LYS+ 106  15.60 +/- 0.68   0.014% *  6.4405% (0.20   0.02   0.02) =   0.004%
    Distance limit 3.97 A violated in 0 structures by 0.01 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3165 (7.32, 1.55, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.133, support = 4.89, residual support = 101.1:
          HN    LYS+  81 - QG    LYS+  81   2.16 +/- 0.20  99.947% * 81.9860% (0.13   4.89 101.13) =  99.999%  kept
          HE3   TRP   27 - HG2   LYS+  33   9.69 +/- 0.65   0.015% *  2.4683% (0.98   0.02   0.02) =   0.000%
          HN    THR   23 - QG    LYS+  81   9.25 +/- 0.35   0.018% *  0.6343% (0.25   0.02   0.02) =   0.000%
          QE    PHE   95 - HG2   LYS+ 106  10.66 +/- 0.59   0.009% *  0.8646% (0.34   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG    LYS+  81  11.83 +/- 0.63   0.005% *  1.1818% (0.47   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+  33  13.51 +/- 0.57   0.002% *  1.3249% (0.53   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  15.42 +/- 1.19   0.001% *  1.4970% (0.59   0.02   0.02) =   0.000%
          QE    PHE   95 - QG    LYS+  81  14.70 +/- 0.34   0.001% *  0.6826% (0.27   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  17.89 +/- 0.67   0.000% *  1.4447% (0.57   0.02   0.02) =   0.000%
          QE    PHE   95 - HG2   LYS+  33  18.42 +/- 0.94   0.000% *  1.4257% (0.57   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  18.78 +/- 0.56   0.000% *  1.1405% (0.45   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+  33  16.22 +/- 1.29   0.001% *  0.4983% (0.20   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+ 106  20.76 +/- 1.25   0.000% *  0.8035% (0.32   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+ 106  17.89 +/- 0.61   0.000% *  0.3022% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  20.72 +/- 0.57   0.000% *  0.7002% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  20.12 +/- 1.17   0.000% *  0.4246% (0.17   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  27.07 +/- 0.90   0.000% *  2.3821% (0.95   0.02   0.02) =   0.000%
          HN    LEU   67 - QG    LYS+  81  23.34 +/- 0.35   0.000% *  0.2386% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3166 (8.00, 1.55, 25.23 ppm):
    9 chemical-shift based assignments, quality = 0.271, support = 0.751, residual support = 1.5:
          HN    GLU-  79 - QG    LYS+  81   3.82 +/- 0.10  99.519% * 81.3186% (0.27   0.75   1.50) =  99.989%  kept
          HN    VAL   70 - HG2   LYS+  33  11.95 +/- 1.46   0.137% *  3.8907% (0.49   0.02   0.02) =   0.007%
          HN    THR   94 - HG2   LYS+ 106  11.23 +/- 0.86   0.194% *  0.9593% (0.12   0.02   0.02) =   0.002%
          HN    THR   94 - QG    LYS+  81  11.73 +/- 0.45   0.124% *  0.7573% (0.09   0.02   0.02) =   0.001%
          HN    VAL   70 - HG2   LYS+ 106  17.66 +/- 0.50   0.011% *  2.3596% (0.30   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+  33  20.60 +/- 0.44   0.004% *  4.5253% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+ 106  19.95 +/- 1.04   0.005% *  2.7445% (0.34   0.02   0.02) =   0.000%
          HN    THR   94 - HG2   LYS+  33  20.59 +/- 0.86   0.004% *  1.5818% (0.20   0.02   0.02) =   0.000%
          HN    VAL   70 - QG    LYS+  81  23.40 +/- 0.28   0.002% *  1.8628% (0.23   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3167 (5.66, 1.37, 25.37 ppm):
    4 chemical-shift based assignments, quality = 0.175, support = 5.66, residual support = 131.6:
      O   HA    LYS+ 106 - HG3   LYS+ 106   3.29 +/- 0.50  99.954% * 99.5647% (0.18   5.66 131.61) = 100.000%  kept
          HA    LYS+ 106 - HG3   LYS+ 102  12.93 +/- 0.78   0.039% *  0.0641% (0.03   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  33  19.41 +/- 0.42   0.003% *  0.2235% (0.11   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  65  18.37 +/- 0.90   0.004% *  0.1476% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3168 (3.19, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.31, residual support = 50.4:
        T HB2   PHE   95 - HB    VAL  107   1.89 +/- 0.03 100.000% *100.0000% (0.69   4.31  50.43) = 100.000%  kept
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3169 (1.15, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.72, support = 2.89, residual support = 56.6:
      O T QG2   VAL  107 - HB    VAL  107   2.13 +/- 0.01  99.955% * 98.1982% (0.72   2.89  56.62) = 100.000%  kept
          HG13  ILE  103 - HB    VAL  107   9.83 +/- 0.39   0.011% *  0.4429% (0.47   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL  107   8.42 +/- 0.55   0.028% *  0.1355% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB    VAL  107  11.01 +/- 0.37   0.005% *  0.6607% (0.70   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL  107  16.49 +/- 0.35   0.000% *  0.4429% (0.47   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  17.85 +/- 0.57   0.000% *  0.1199% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3171 (1.10, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.712, support = 3.62, residual support = 56.6:
      O T QG1   VAL  107 - HB    VAL  107   2.13 +/- 0.01  99.965% * 98.6618% (0.71   3.62  56.62) = 100.000%  kept
          HG13  ILE  119 - HB    VAL  107   8.42 +/- 0.55   0.028% *  0.1239% (0.16   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL  107  10.65 +/- 0.38   0.006% *  0.4647% (0.61   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    VAL  107  18.40 +/- 1.01   0.000% *  0.5136% (0.67   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  17.85 +/- 0.57   0.000% *  0.1387% (0.18   0.02   0.02) =   0.000%
        T QG2   VAL   24 - HB    VAL  107  17.47 +/- 0.65   0.000% *  0.0974% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 0.666, support = 0.0198, residual support = 1.39:
          QD1   LEU   63 - HB    VAL  107   5.42 +/- 0.38  58.494% * 18.9779% (0.71   0.02   0.02) =  64.541%  kept
          QD2   LEU  115 - HB    VAL  107   6.20 +/- 0.33  26.347% * 17.8728% (0.67   0.02   5.03) =  27.377%  kept
          QD2   LEU   63 - HB    VAL  107   6.91 +/- 0.37  13.784% *  8.6803% (0.33   0.02   0.02) =   6.956%  kept
          QD1   LEU  104 - HB    VAL  107  11.09 +/- 0.26   0.841% * 13.2994% (0.50   0.02   0.02) =   0.650%
          QD1   LEU   73 - HB    VAL  107  13.13 +/- 0.31   0.301% * 18.9779% (0.71   0.02   0.02) =   0.333%
          QD2   LEU   80 - HB    VAL  107  15.85 +/- 0.86   0.106% * 17.3638% (0.65   0.02   0.02) =   0.107%
          QG1   VAL   83 - HB    VAL  107  15.41 +/- 0.76   0.127% *  4.8278% (0.18   0.02   0.02) =   0.036%
    Distance limit 4.38 A violated in 20 structures by 0.58 A, eliminated.
    Peak unassigned.
 
    Peak 3173 (7.03, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.86, residual support = 50.4:
          QD    PHE   95 - HB    VAL  107   2.16 +/- 0.11  99.998% * 99.8341% (0.63   3.86  50.43) = 100.000%  kept
          HN    ALA   47 - HB    VAL  107  13.07 +/- 0.42   0.002% *  0.1659% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 0.322, support = 0.0198, residual support = 0.232:
          QD    PHE   97 - HB    VAL  107   5.17 +/- 0.39  98.849% * 54.4328% (0.33   0.02   0.23) =  99.034%  kept
          HZ3   TRP   87 - HB    VAL  107  10.99 +/- 0.49   1.151% * 45.5672% (0.27   0.02   0.02) =   0.966%
    Distance limit 4.19 A violated in 20 structures by 0.98 A, eliminated.
    Peak unassigned.
 
    Peak 3175 (9.57, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.72, support = 3.33, residual support = 56.6:
      O   HN    VAL  107 - HB    VAL  107   2.35 +/- 0.04  99.999% * 99.3983% (0.72   3.33  56.62) = 100.000%  kept
          HN    GLY   51 - HB    VAL  107  16.19 +/- 0.27   0.001% *  0.6017% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3176 (9.86, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.47, support = 3.94, residual support = 50.4:
          HN    PHE   95 - HB    VAL  107   3.07 +/- 0.23 100.000% *100.0000% (0.47   3.94  50.43) = 100.000%  kept
    Distance limit 4.60 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 = 0.991, support = 3.74, residual support = 56.6:
      O   QG2   VAL  107 - QG1   VAL  107   2.08 +/- 0.03  99.748% * 98.1522% (0.99   3.74  56.62) = 100.000%  kept
          HG2   LYS+ 121 - QG1   VAL  107   8.05 +/- 0.43   0.032% *  0.5105% (0.97   0.02   0.02) =   0.000%
        T HG13  ILE  119 - QG1   VAL  107   6.28 +/- 0.57   0.156% *  0.1047% (0.20   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG1   VAL  107   9.13 +/- 0.33   0.014% *  0.3422% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   VAL   24   7.72 +/- 0.19   0.039% *  0.0220% (0.04   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   24  10.38 +/- 0.16   0.007% *  0.0813% (0.15   0.02   0.02) =   0.000%
          QB    ALA   20 - QG1   VAL  107  15.24 +/- 0.33   0.001% *  0.3422% (0.65   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG2   VAL   24  13.05 +/- 0.65   0.002% *  0.0813% (0.15   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   24  15.24 +/- 0.52   0.001% *  0.1246% (0.24   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QG1   VAL  107  16.42 +/- 0.49   0.000% *  0.0926% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   24  23.27 +/- 0.57   0.000% *  0.1213% (0.23   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   24  22.49 +/- 0.53   0.000% *  0.0249% (0.05   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 = 3.62, residual support = 56.6:
      O T HB    VAL  107 - QG1   VAL  107   2.13 +/- 0.01  99.691% * 97.0442% (0.65   3.62  56.62) =  99.999%  kept
          HB2   GLN  116 - QG1   VAL  107   6.34 +/- 0.22   0.144% *  0.1452% (0.18   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QG1   VAL  107   7.09 +/- 0.31   0.075% *  0.2067% (0.25   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL   24   8.44 +/- 1.29   0.045% *  0.1966% (0.24   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG2   VAL   24   8.40 +/- 0.75   0.032% *  0.1646% (0.20   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG1   VAL  107  10.52 +/- 0.17   0.007% *  0.2067% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG1   VAL  107  17.49 +/- 0.48   0.000% *  0.6925% (0.84   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL   24  11.86 +/- 0.55   0.003% *  0.0491% (0.06   0.02   0.02) =   0.000%
          QG    GLN   32 - QG1   VAL  107  19.19 +/- 0.64   0.000% *  0.8273% (1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG1   VAL  107  15.93 +/- 0.51   0.001% *  0.2067% (0.25   0.02   0.02) =   0.000%
        T HB    VAL  107 - QG2   VAL   24  17.47 +/- 0.65   0.000% *  0.1275% (0.15   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL   24  16.27 +/- 0.51   0.001% *  0.0491% (0.06   0.02   0.02) =   0.000%
        T QE    LYS+ 112 - QG2   VAL   24  21.12 +/- 0.49   0.000% *  0.0491% (0.06   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG2   VAL   24  25.46 +/- 0.60   0.000% *  0.0345% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 2.89, residual support = 56.6:
      O T HB    VAL  107 - QG2   VAL  107   2.13 +/- 0.01  99.772% * 97.1402% (0.65   2.89  56.62) =  99.999%  kept
        T QE    LYS+ 112 - QG2   VAL  107   6.44 +/- 0.24   0.134% *  0.2587% (0.25   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG2   VAL  107   7.28 +/- 0.18   0.064% *  0.1817% (0.18   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL  107   8.28 +/- 0.19   0.029% *  0.2587% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG2   VAL  107  15.72 +/- 0.44   0.001% *  0.8667% (0.84   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL  107  19.22 +/- 0.75   0.000% *  1.0353% (1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL  107  17.32 +/- 0.52   0.000% *  0.2587% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 0.682, support = 0.962, residual support = 1.95:
        T QB    GLU- 114 - QG2   VAL  107   2.80 +/- 0.25  90.760% * 42.8852% (0.65   0.99   2.15) =  89.710%  kept
          HB2   LYS+ 111 - QG2   VAL  107   4.13 +/- 0.30   9.047% * 49.3468% (0.99   0.74   0.24) =  10.289%  kept
        T HB    ILE  119 - QG2   VAL  107   8.13 +/- 0.34   0.175% *  0.2352% (0.18   0.02   0.02) =   0.001%
          HB2   GLN   17 - QG2   VAL  107  16.75 +/- 0.32   0.002% *  1.3431% (1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG2   VAL  107  15.31 +/- 0.26   0.004% *  0.7604% (0.57   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   VAL  107  17.47 +/- 0.54   0.002% *  1.3431% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  107  17.14 +/- 0.17   0.002% *  1.0755% (0.80   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG2   VAL  107  17.05 +/- 0.20   0.002% *  0.6538% (0.49   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  107  17.18 +/- 0.58   0.002% *  0.5522% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  107  16.51 +/- 0.40   0.002% *  0.2352% (0.18   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   VAL  107  21.82 +/- 0.37   0.000% *  1.2705% (0.95   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  107  18.48 +/- 0.25   0.001% *  0.2990% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3181 (0.59, 1.09, 22.46 ppm):
    14 chemical-shift based assignments, quality = 0.296, support = 1.4, residual support = 5.76:
        T QG1   VAL   83 - QG2   VAL   24   2.35 +/- 0.71  84.176% *  4.3468% (0.06   1.09   2.18) =  43.263%  kept
          QD2   LEU   80 - QG2   VAL   24   3.64 +/- 0.42  10.202% * 29.2257% (0.21   2.04  10.63) =  35.253%  kept
          QD2   LEU  115 - QG1   VAL  107   4.32 +/- 0.29   3.009% * 59.4571% (0.92   0.96   5.03) =  21.154%  kept
        T QD1   LEU   63 - QG1   VAL  107   4.92 +/- 0.55   1.763% *  1.3147% (0.98   0.02   0.02) =   0.274%
        T QD2   LEU   63 - QG1   VAL  107   5.86 +/- 0.47   0.615% *  0.6013% (0.45   0.02   0.02) =   0.044%
        T QD1   LEU   73 - QG2   VAL   24   6.82 +/- 0.23   0.191% *  0.3124% (0.23   0.02   0.02) =   0.007%
        T QD1   LEU  104 - QG1   VAL  107   9.40 +/- 0.23   0.029% *  0.9213% (0.69   0.02   0.02) =   0.003%
        T QD1   LEU   73 - QG1   VAL  107  12.44 +/- 0.28   0.006% *  1.3147% (0.98   0.02   0.02) =   0.001%
          QD2   LEU   80 - QG1   VAL  107  14.88 +/- 0.71   0.002% *  1.2029% (0.90   0.02   0.02) =   0.000%
        T QG1   VAL   83 - QG1   VAL  107  14.43 +/- 0.62   0.004% *  0.3344% (0.25   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG2   VAL   24  15.09 +/- 0.54   0.002% *  0.3124% (0.23   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG2   VAL   24  14.84 +/- 0.60   0.002% *  0.2190% (0.16   0.02   0.02) =   0.000%
        T QD2   LEU   63 - QG2   VAL   24  16.31 +/- 0.70   0.001% *  0.1429% (0.11   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   24  18.88 +/- 0.54   0.000% *  0.2942% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 1 structures by 0.01 A, kept.
 
    Peak 3182 (0.46, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 1.08, residual support = 5.03:
          QD1   LEU  115 - QG2   VAL  107   3.68 +/- 0.06  99.673% * 97.2739% (0.38   1.08   5.03) =  99.991%  kept
          QG1   VAL   75 - QG2   VAL  107   9.68 +/- 0.51   0.327% *  2.7261% (0.57   0.02   0.02) =   0.009%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3183 (0.70, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.871, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - QG2   VAL  107   9.77 +/- 1.03  86.393% * 58.0948% (0.90   0.02   0.02) =  89.798%  kept
          QG2   ILE   19 - QG2   VAL  107  13.62 +/- 0.37  13.607% * 41.9052% (0.65   0.02   0.02) =  10.202%  kept
    Distance limit 3.65 A violated in 20 structures by 5.86 A, eliminated.
    Peak unassigned.
 
    Peak 3184 (4.50, 1.15, 21.16 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 3.31, residual support = 56.6:
      O T HA    VAL  107 - QG2   VAL  107   2.78 +/- 0.03  96.772% * 96.5537% (0.45   3.31  56.62) =  99.984%  kept
          HA    LYS+ 111 - QG2   VAL  107   4.94 +/- 0.15   3.132% *  0.4435% (0.34   0.02   0.24) =   0.015%
          HA    PRO   52 - QG2   VAL  107   9.82 +/- 0.20   0.050% *  1.1279% (0.87   0.02   0.02) =   0.001%
          HA    ALA   91 - QG2   VAL  107  10.17 +/- 0.47   0.043% *  0.7887% (0.61   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   VAL  107  16.10 +/- 0.37   0.003% *  1.0861% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 0.434, support = 0.0191, residual support = 12.0:
          HB    VAL  108 - QG1   VAL  107   5.29 +/- 0.14  70.762% *  6.8470% (0.45   0.02  15.35) =  78.106%  kept
        T HB    ILE  119 - QG1   VAL  107   6.76 +/- 0.32  16.696% *  3.8082% (0.25   0.02   0.02) =  10.250%  kept
          HB2   PRO   93 - QG1   VAL  107   8.81 +/- 0.26   3.409% * 12.7564% (0.84   0.02   0.02) =   7.010%  kept
          HG2   PRO   58 - QG1   VAL  107  10.42 +/- 0.37   1.231% *  9.8797% (0.65   0.02   0.02) =   1.961%
          HG3   PRO   52 - QG1   VAL  107  11.20 +/- 0.32   0.803% *  9.8797% (0.65   0.02   0.02) =   1.279%
          HB2   GLN   30 - QG2   VAL   24   8.12 +/- 0.74   6.439% *  0.9050% (0.06   0.02   0.02) =   0.939%
          HB2   ARG+  54 - QG1   VAL  107  14.20 +/- 0.28   0.191% *  8.0351% (0.53   0.02   0.02) =   0.248%
          HB2   GLN   30 - QG1   VAL  107  16.92 +/- 0.40   0.068% *  3.8082% (0.25   0.02   0.02) =   0.042%
          HB2   PRO   93 - QG2   VAL   24  16.59 +/- 0.59   0.077% *  3.0316% (0.20   0.02   0.02) =   0.038%
          HB3   GLU- 100 - QG1   VAL  107  17.16 +/- 0.31   0.062% *  3.0224% (0.20   0.02   0.02) =   0.030%
          HB2   GLU-  14 - QG1   VAL  107  22.62 +/- 1.07   0.013% * 11.0899% (0.73   0.02   0.02) =   0.022%
          HB2   GLU-  14 - QG2   VAL   24  18.05 +/- 1.30   0.051% *  2.6356% (0.17   0.02   0.02) =   0.022%
          HG3   PRO   52 - QG2   VAL   24  18.86 +/- 0.53   0.036% *  2.3479% (0.15   0.02   0.02) =   0.013%
          HB3   GLU- 100 - QG2   VAL   24  16.29 +/- 0.56   0.085% *  0.7183% (0.05   0.02   0.02) =   0.010%
          HB    VAL  108 - QG2   VAL   24  19.11 +/- 0.94   0.034% *  1.6272% (0.11   0.02   0.02) =   0.009%
          HG2   MET   11 - QG1   VAL  107  28.32 +/- 2.16   0.004% * 11.6715% (0.76   0.02   0.02) =   0.007%
          HG2   MET   11 - QG2   VAL   24  24.18 +/- 3.38   0.013% *  2.7738% (0.18   0.02   0.02) =   0.006%
          HG2   PRO   58 - QG2   VAL   24  23.68 +/- 0.49   0.009% *  2.3479% (0.15   0.02   0.02) =   0.003%
          HB2   ARG+  54 - QG2   VAL   24  23.58 +/- 0.69   0.009% *  1.9096% (0.13   0.02   0.02) =   0.003%
          HB    ILE  119 - QG2   VAL   24  24.37 +/- 0.60   0.008% *  0.9050% (0.06   0.02   0.02) =   0.001%
    Distance limit 3.68 A violated in 20 structures by 1.39 A, eliminated.
    Peak unassigned.
 
    Peak 3186 (4.14, 1.09, 22.46 ppm):
    16 chemical-shift based assignments, quality = 0.896, support = 0.76, residual support = 5.03:
          HA    LEU  115 - QG1   VAL  107   2.02 +/- 0.18  96.445% * 84.3057% (0.90   0.76   5.03) =  99.923%  kept
          HA    GLU- 114 - QG1   VAL  107   3.80 +/- 0.13   2.536% *  2.2813% (0.92   0.02   2.15) =   0.071%
          HA    ASN   28 - QG2   VAL   24   4.49 +/- 0.12   0.912% *  0.5095% (0.21   0.02  13.43) =   0.006%
          HA    THR   26 - QG2   VAL   24   6.48 +/- 0.10   0.099% *  0.3562% (0.14   0.02   2.74) =   0.000%
          HA1   GLY  101 - QG1   VAL  107  15.04 +/- 0.42   0.001% *  2.4495% (0.99   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   VAL   24  12.32 +/- 1.54   0.002% *  0.5821% (0.24   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG1   VAL  107  13.31 +/- 0.26   0.001% *  0.8430% (0.34   0.02   0.02) =   0.000%
          HA    ALA   34 - QG2   VAL   24  12.91 +/- 0.20   0.002% *  0.5757% (0.23   0.02   0.02) =   0.000%
          HA    ALA   34 - QG1   VAL  107  17.18 +/- 0.18   0.000% *  2.4224% (0.98   0.02   0.02) =   0.000%
          HA    ALA  124 - QG1   VAL  107  14.45 +/- 0.45   0.001% *  0.6162% (0.25   0.02   0.02) =   0.000%
          HA    ASN   28 - QG1   VAL  107  18.25 +/- 0.54   0.000% *  2.1437% (0.87   0.02   0.02) =   0.000%
          HA    THR   26 - QG1   VAL  107  20.82 +/- 0.34   0.000% *  1.4989% (0.61   0.02   0.02) =   0.000%
          HA    LEU  115 - QG2   VAL   24  20.83 +/- 0.60   0.000% *  0.5267% (0.21   0.02   0.02) =   0.000%
          HA    GLU- 114 - QG2   VAL   24  22.97 +/- 0.62   0.000% *  0.5422% (0.22   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG2   VAL   24  21.84 +/- 0.55   0.000% *  0.2003% (0.08   0.02   0.02) =   0.000%
          HA    ALA  124 - QG2   VAL   24  27.91 +/- 0.77   0.000% *  0.1465% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3187 (4.50, 1.09, 22.46 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 4.31, residual support = 56.6:
      O T HA    VAL  107 - QG1   VAL  107   2.13 +/- 0.08  99.508% * 96.6158% (0.45   4.31  56.62) =  99.999%  kept
          HA    LYS+ 111 - QG1   VAL  107   6.12 +/- 0.16   0.179% *  0.3408% (0.34   0.02   0.24) =   0.001%
          HA    TRP   27 - QG2   VAL   24   5.61 +/- 0.17   0.306% *  0.1984% (0.20   0.02  24.59) =   0.001%
          HA    PRO   52 - QG1   VAL  107  11.98 +/- 0.26   0.003% *  0.8668% (0.87   0.02   0.02) =   0.000%
          HA    ALA   91 - QG1   VAL  107  12.69 +/- 0.51   0.002% *  0.6061% (0.61   0.02   0.02) =   0.000%
          HA    TRP   27 - QG1   VAL  107  16.93 +/- 0.34   0.000% *  0.8346% (0.84   0.02   0.02) =   0.000%
          HA    ALA   91 - QG2   VAL   24  15.88 +/- 0.57   0.001% *  0.1440% (0.14   0.02   0.02) =   0.000%
        T HA    VAL  107 - QG2   VAL   24  18.27 +/- 0.66   0.000% *  0.1065% (0.11   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   VAL   24  21.84 +/- 0.52   0.000% *  0.2060% (0.21   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QG2   VAL   24  22.43 +/- 0.61   0.000% *  0.0810% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3188 (7.17, 1.09, 22.46 ppm):
    8 chemical-shift based assignments, quality = 0.116, support = 2.61, residual support = 24.6:
          HD1   TRP   27 - QG2   VAL   24   2.67 +/- 0.34  97.774% * 82.0019% (0.12   2.61  24.59) =  99.927%  kept
          QD    PHE   59 - QG1   VAL  107   5.28 +/- 0.44   2.189% *  2.6408% (0.49   0.02   0.02) =   0.072%
          HH2   TRP   49 - QG1   VAL  107  13.84 +/- 0.36   0.006% *  5.2359% (0.97   0.02   0.02) =   0.000%
          HE21  GLN   30 - QG2   VAL   24  10.75 +/- 0.73   0.025% *  1.0770% (0.20   0.02   0.02) =   0.000%
          HE21  GLN   30 - QG1   VAL  107  16.37 +/- 0.35   0.002% *  4.5317% (0.84   0.02   0.02) =   0.000%
          HD1   TRP   27 - QG1   VAL  107  16.87 +/- 0.50   0.002% *  2.6408% (0.49   0.02   0.02) =   0.000%
          QD    PHE   59 - QG2   VAL   24  18.00 +/- 0.52   0.001% *  0.6276% (0.12   0.02   0.02) =   0.000%
          HH2   TRP   49 - QG2   VAL   24  21.98 +/- 0.56   0.000% *  1.2443% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 4.43, residual support = 50.4:
          QD    PHE   95 - QG2   VAL  107   1.82 +/- 0.04  99.988% * 99.5542% (0.95   4.43  50.43) = 100.000%  kept
          HN    ALA   47 - QG2   VAL  107   9.93 +/- 0.36   0.004% *  0.3627% (0.76   0.02   0.02) =   0.000%
          QE    PHE   72 - QG2   VAL  107   8.82 +/- 0.25   0.008% *  0.0831% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3190 (8.40, 1.15, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.896, support = 1.5, residual support = 5.03:
          HN    LEU  115 - QG2   VAL  107   3.63 +/- 0.17  94.370% * 98.2833% (0.90   1.50   5.03) =  99.962%  kept
          HN    ASP- 113 - QG2   VAL  107   6.10 +/- 0.18   4.304% *  0.4063% (0.28   0.02   0.02) =   0.019%
          HN    PHE   97 - QG2   VAL  107   7.44 +/- 0.10   1.326% *  1.3105% (0.90   0.02   0.23) =   0.019%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3191 (9.15, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 3.64, residual support = 15.3:
          HN    VAL  108 - QG2   VAL  107   2.58 +/- 0.17  99.890% * 99.3374% (0.57   3.64  15.35) =  99.999%  kept
          HN    VAL   43 - QG2   VAL  107   8.18 +/- 0.21   0.110% *  0.6626% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3192 (9.57, 1.09, 22.46 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.84, residual support = 56.6:
          HN    VAL  107 - QG1   VAL  107   3.40 +/- 0.08  99.972% * 99.2323% (0.99   3.84  56.62) = 100.000%  kept
          HN    GLY   51 - QG1   VAL  107  14.57 +/- 0.26   0.016% *  0.5211% (1.00   0.02   0.02) =   0.000%
          HN    VAL  107 - QG2   VAL   24  16.09 +/- 0.63   0.009% *  0.1227% (0.24   0.02   0.02) =   0.000%
          HN    GLY   51 - QG2   VAL   24  19.76 +/- 0.45   0.003% *  0.1238% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3193 (9.18, 1.09, 22.46 ppm):
    2 chemical-shift based assignments, quality = 0.668, support = 0.0195, residual support = 0.0195:
          HN    VAL   43 - QG1   VAL  107   8.46 +/- 0.24  89.616% * 80.7980% (0.69   0.02   0.02) =  97.320%  kept
          HN    VAL   43 - QG2   VAL   24  12.16 +/- 0.43  10.384% * 19.2020% (0.16   0.02   0.02) =   2.680%
    Distance limit 3.86 A violated in 20 structures by 4.61 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 = 6.47:
      O   HN    ALA  110 - HA2   GLY  109   2.51 +/- 0.15  99.961% * 99.1246% (0.99   2.20   6.47) = 100.000%  kept
          HN    PHE   45 - HA2   GLY  109   9.38 +/- 0.22   0.039% *  0.8754% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 9.39:
      O   HN    GLY  109 - HA2   GLY  109   2.70 +/- 0.04  99.880% * 96.3960% (0.53   2.20   9.39) =  99.998%  kept
          HN    GLN   90 - HA2   GLY  109   8.71 +/- 0.80   0.118% *  1.5721% (0.95   0.02   0.02) =   0.002%
          HN    ILE  103 - HA2   GLY  109  18.46 +/- 0.29   0.001% *  1.6619% (1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY  109  18.96 +/- 0.38   0.001% *  0.3700% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3196 (9.15, 2.05, 32.95 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.08, residual support = 62.1:
      O   HN    VAL  108 - HB    VAL  108   2.36 +/- 0.07  99.997% * 99.4087% (0.57   4.08  62.10) = 100.000%  kept
          HN    VAL   43 - HB    VAL  108  13.32 +/- 0.39   0.003% *  0.5913% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3197 (8.63, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.135, support = 3.09, residual support = 7.35:
          HN    GLY  109 - QG1   VAL  108   2.54 +/- 0.13  99.057% * 89.7984% (0.14   3.09   7.35) =  99.961%  kept
          HN    GLN   90 - QG1   VAL  108   7.81 +/- 1.48   0.937% *  3.7235% (0.87   0.02   0.02) =   0.039%
          HN    ILE  103 - QG1   VAL  108  13.39 +/- 0.38   0.005% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    SER   82 - QG1   VAL  108  15.85 +/- 0.95   0.002% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    GLY   16 - QG1   VAL  108  22.35 +/- 0.63   0.000% *  0.5809% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3198 (9.15, 0.89, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.52, residual support = 62.1:
          HN    VAL  108 - QG1   VAL  108   3.71 +/- 0.06  99.880% * 99.4664% (0.57   4.52  62.10) =  99.999%  kept
          HN    VAL   43 - QG1   VAL  108  11.48 +/- 0.46   0.120% *  0.5336% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3199 (9.15, 1.03, 20.80 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.08, residual support = 62.1:
          HN    VAL  108 - QG2   VAL  108   2.53 +/- 0.14  99.974% * 99.4087% (0.57   4.08  62.10) = 100.000%  kept
          HN    VAL   43 - QG2   VAL  108  10.26 +/- 0.56   0.026% *  0.5913% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3200 (8.65, 1.03, 20.80 ppm):
    3 chemical-shift based assignments, quality = 0.755, support = 0.0189, residual support = 0.0189:
          HN    SER  117 - QG2   VAL  108   9.70 +/- 0.59  93.812% * 32.6470% (0.80   0.02   0.02) =  94.347%  kept
          HN    SER   82 - QG2   VAL  108  16.22 +/- 0.96   5.287% * 28.0060% (0.69   0.02   0.02) =   4.561%
          HN    GLY   16 - QG2   VAL  108  21.36 +/- 0.71   0.901% * 39.3470% (0.97   0.02   0.02) =   1.092%
    Distance limit 4.79 A violated in 20 structures by 4.91 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  16.51 +/- 0.64 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 4.26 A violated in 20 structures by 12.25 A, eliminated.
    Peak unassigned.
 
    Peak 3202 (5.60, 1.03, 20.80 ppm):
    1 chemical-shift based assignment, quality = 0.278, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   VAL  108   5.73 +/- 0.27 100.000% *100.0000% (0.28   0.02   0.02) = 100.000%  kept
    Distance limit 4.43 A violated in 20 structures by 1.30 A, eliminated.
    Peak unassigned.
 
    Peak 3203 (1.35, 1.53, 33.52 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 6.2, residual support = 312.6:
      O   HG2   LYS+ 111 - HB3   LYS+ 111   2.29 +/- 0.01  99.763% * 96.1849% (0.69   6.20 312.62) = 100.000%  kept
          HB3   PRO   93 - HB3   LYS+ 111   7.97 +/- 0.31   0.058% *  0.3618% (0.80   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB3   LYS+ 111   6.69 +/- 0.03   0.159% *  0.0791% (0.18   0.02  25.46) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 111  11.76 +/- 0.48   0.006% *  0.4509% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+ 111  13.23 +/- 0.45   0.003% *  0.4361% (0.97   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB3   LYS+ 111  11.11 +/- 0.25   0.008% *  0.1127% (0.25   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 111  14.04 +/- 0.30   0.002% *  0.3774% (0.84   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 111  16.80 +/- 1.48   0.001% *  0.4171% (0.92   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 111  18.86 +/- 0.61   0.000% *  0.4429% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+ 111  20.79 +/- 1.32   0.000% *  0.4053% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+ 111  24.22 +/- 0.47   0.000% *  0.3453% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LYS+ 111  22.16 +/- 0.36   0.000% *  0.1858% (0.41   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB3   LYS+ 111  21.43 +/- 0.99   0.000% *  0.0612% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LYS+ 111  28.16 +/- 0.46   0.000% *  0.1395% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.764, support = 0.242, residual support = 0.236:
          QG2   VAL  107 - HB3   LYS+ 111   2.97 +/- 0.26  98.838% * 79.9992% (0.76   0.24   0.24) =  99.962%  kept
          QG2   THR   94 - HB3   LYS+ 111   6.98 +/- 0.37   0.727% *  2.4089% (0.28   0.02   0.02) =   0.022%
          HB3   LYS+ 112 - HB3   LYS+ 111   7.51 +/- 0.03   0.418% *  2.6741% (0.31   0.02  25.46) =   0.014%
          HG13  ILE  103 - HB3   LYS+ 111  14.52 +/- 0.31   0.008% *  8.6448% (1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 121 - HB3   LYS+ 111  14.44 +/- 0.59   0.008% *  4.5583% (0.53   0.02   0.02) =   0.000%
          QB    ALA   20 - HB3   LYS+ 111  19.75 +/- 0.40   0.001% *  1.7146% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3205 (4.53, 1.53, 33.52 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.62, residual support = 312.6:
      O   HA    LYS+ 111 - HB3   LYS+ 111   2.99 +/- 0.01  96.628% * 99.7996% (0.97   6.62 312.62) =  99.998%  kept
          HA    VAL  108 - HB3   LYS+ 111   5.27 +/- 0.26   3.340% *  0.0482% (0.15   0.02   0.02) =   0.002%
          HA    PRO   52 - HB3   LYS+ 111  11.36 +/- 0.20   0.032% *  0.1522% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 5.17, residual support = 312.6:
      O   HN    LYS+ 111 - HB3   LYS+ 111   2.17 +/- 0.03  99.990% * 98.7831% (0.73   5.17 312.62) = 100.000%  kept
          HN    ILE   56 - HB3   LYS+ 111  10.36 +/- 0.18   0.008% *  0.1794% (0.34   0.02   2.31) =   0.000%
          HN    LEU   63 - HB3   LYS+ 111  14.20 +/- 0.42   0.001% *  0.1311% (0.25   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LYS+ 111  18.88 +/- 0.33   0.000% *  0.3818% (0.73   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LYS+ 111  31.03 +/- 1.58   0.000% *  0.5246% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3207 (7.58, 2.02, 33.52 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 7.06, residual support = 312.6:
      O   HN    LYS+ 111 - HB2   LYS+ 111   3.42 +/- 0.10  99.614% * 98.7852% (1.00   7.06 312.62) = 100.000%  kept
          HN    ILE   56 - HB2   LYS+ 111  10.97 +/- 0.21   0.092% *  0.2343% (0.84   0.02   2.31) =   0.000%
          HE21  GLN   32 - HG3   GLN   30  11.38 +/- 0.81   0.082% *  0.0409% (0.15   0.02   1.50) =   0.000%
          HN    LEU   63 - HB2   LYS+ 111  14.74 +/- 0.50   0.016% *  0.2037% (0.73   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   GLN   30  13.68 +/- 0.76   0.026% *  0.0562% (0.20   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   GLN   30  10.17 +/- 0.57   0.160% *  0.0087% (0.03   0.02   6.57) =   0.000%
          HN    ALA   84 - HB2   LYS+ 111  20.58 +/- 0.38   0.002% *  0.2798% (1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HG3   GLN   30  17.85 +/- 0.81   0.005% *  0.0409% (0.15   0.02   0.02) =   0.000%
          HN    ILE   56 - HG3   GLN   30  22.33 +/- 0.80   0.001% *  0.0471% (0.17   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG3   GLN   30  23.25 +/- 0.67   0.001% *  0.0562% (0.20   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LYS+ 111  32.45 +/- 1.55   0.000% *  0.2037% (0.73   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LYS+ 111  28.98 +/- 0.77   0.000% *  0.0433% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 312.6:
          HN    LYS+ 111 - HG2   LYS+ 111   3.72 +/- 0.16  99.850% * 94.2692% (0.18   6.51 312.62) =  99.999%  kept
          HN    ILE   56 - HG2   LYS+ 111  11.69 +/- 0.19   0.107% *  0.8050% (0.49   0.02   2.31) =   0.001%
          HN    LEU   63 - HG2   LYS+ 111  16.35 +/- 0.44   0.015% *  1.0031% (0.61   0.02   0.02) =   0.000%
          QE    PHE   60 - HG2   LYS+ 111  15.84 +/- 0.38   0.017% *  0.5105% (0.31   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+ 111  19.46 +/- 0.42   0.005% *  1.4833% (0.90   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+ 111  19.26 +/- 0.55   0.005% *  0.2896% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+ 111  28.18 +/- 0.94   0.001% *  1.6393% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3209 (7.59, 1.22, 24.92 ppm):
    14 chemical-shift based assignments, quality = 0.647, support = 6.53, residual support = 312.6:
          HN    LYS+ 111 - HG3   LYS+ 111   3.29 +/- 0.21  99.695% * 98.0167% (0.65   6.53 312.62) =  99.999%  kept
          HN    ILE   56 - HG3   LYS+ 111  10.45 +/- 0.23   0.101% *  0.4476% (0.97   0.02   2.31) =   0.000%
          HN    LEU   63 - HG3   LYS+ 111  16.01 +/- 0.45   0.009% *  0.4628% (1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HG2   LYS+  74  11.62 +/- 0.73   0.065% *  0.0495% (0.11   0.02   0.02) =   0.000%
          HN    ILE   56 - HG2   LYS+  74  12.01 +/- 0.57   0.048% *  0.0478% (0.10   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+  74  12.10 +/- 0.64   0.043% *  0.0321% (0.07   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   LYS+ 111  19.70 +/- 0.58   0.002% *  0.3001% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG2   LYS+  74  15.24 +/- 0.47   0.011% *  0.0321% (0.07   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+  74  13.98 +/- 0.43   0.018% *  0.0186% (0.04   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG3   LYS+ 111  20.40 +/- 0.40   0.002% *  0.1741% (0.38   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+  74  17.55 +/- 0.67   0.005% *  0.0281% (0.06   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   LYS+ 111  28.89 +/- 0.93   0.000% *  0.2626% (0.57   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG2   LYS+  74  21.55 +/- 1.17   0.001% *  0.0124% (0.03   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG3   LYS+ 111  33.06 +/- 1.66   0.000% *  0.1157% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3210 (8.52, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 0.0856, support = 5.67, residual support = 27.4:
          HN    VAL   75 - HG2   LYS+  74   3.21 +/- 0.30  99.808% * 92.7465% (0.09   5.67  27.40) =  99.999%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.18 +/- 0.64   0.184% *  0.4049% (0.11   0.02   0.02) =   0.001%
          HN    VAL   75 - HG3   LYS+ 111  17.40 +/- 0.35   0.004% *  3.0605% (0.80   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 111  18.52 +/- 0.59   0.003% *  3.7882% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3211 (1.99, 3.46, 61.33 ppm):
    11 chemical-shift based assignments, quality = 0.681, support = 1.29, residual support = 4.04:
        T HB2   LEU  115 - HA    LYS+ 112   2.78 +/- 0.57  93.107% * 19.7423% (0.76   0.75   2.15) =  87.170%  kept
          HB2   LYS+ 111 - HA    LYS+ 112   5.09 +/- 0.23   4.012% * 44.8262% (0.18   7.43  25.46) =   8.528%  kept
          QB    GLU- 114 - HA    LYS+ 112   5.43 +/- 0.10   2.765% * 32.7862% (0.73   1.31   0.75) =   4.299%
          HG3   PRO   58 - HA    LYS+ 112   9.53 +/- 0.44   0.109% *  0.5516% (0.80   0.02   0.02) =   0.003%
          HB2   LEU   67 - HA    LYS+ 112  16.58 +/- 0.62   0.003% *  0.2585% (0.38   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 112  21.04 +/- 0.34   0.001% *  0.5976% (0.87   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 112  22.17 +/- 0.20   0.001% *  0.5516% (0.80   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LYS+ 112  18.04 +/- 0.62   0.002% *  0.1206% (0.18   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 112  21.84 +/- 0.48   0.001% *  0.1534% (0.22   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 112  23.16 +/- 0.53   0.000% *  0.1534% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 112  31.43 +/- 0.34   0.000% *  0.2585% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3212 (0.80, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 1.22, residual support = 7.38:
        T QD1   ILE   56 - HA    LYS+ 112   3.08 +/- 0.14  99.950% * 95.9138% (0.84   1.22   7.38) = 100.000%  kept
          HG3   LYS+ 121 - HA    LYS+ 112  13.91 +/- 0.73   0.013% *  1.7316% (0.92   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+ 112  11.82 +/- 0.34   0.033% *  0.5215% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   73 - HA    LYS+ 112  17.37 +/- 0.46   0.003% *  1.0620% (0.57   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 112  24.76 +/- 0.66   0.000% *  0.7712% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3213 (7.32, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.792, support = 0.02, residual support = 0.149:
          QD    PHE   55 - HA    LYS+ 112   5.73 +/- 0.79  46.898% * 27.0710% (0.95   0.02   0.24) =  59.627%  kept
          QE    PHE   95 - HA    LYS+ 112   5.55 +/- 0.40  52.999% * 16.2019% (0.57   0.02   0.02) =  40.329%  kept
          HN    LEU   67 - HA    LYS+ 112  16.48 +/- 0.31   0.079% *  5.6634% (0.20   0.02   0.02) =   0.021%
          HE3   TRP   27 - HA    LYS+ 112  22.14 +/- 0.39   0.013% * 28.0508% (0.98   0.02   0.02) =   0.017%
          HN    THR   23 - HA    LYS+ 112  25.71 +/- 0.43   0.005% * 15.0563% (0.53   0.02   0.02) =   0.004%
          HN    LYS+  81 - HA    LYS+ 112  24.91 +/- 0.34   0.006% *  7.9567% (0.28   0.02   0.02) =   0.002%
    Distance limit 4.07 A violated in 20 structures by 0.85 A, eliminated.
    Peak unassigned.
 
    Peak 3214 (8.48, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 5.72, residual support = 233.6:
      O   HN    LYS+ 112 - HA    LYS+ 112   2.81 +/- 0.01  99.989% * 99.0275% (0.92   5.72 233.59) = 100.000%  kept
          HN    MET   92 - HA    LYS+ 112  13.90 +/- 0.32   0.007% *  0.1043% (0.28   0.02   0.02) =   0.000%
          HN    THR   46 - HA    LYS+ 112  15.51 +/- 0.28   0.004% *  0.1682% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  74 - HA    LYS+ 112  19.96 +/- 0.34   0.001% *  0.3255% (0.87   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LYS+ 112  37.11 +/- 3.26   0.000% *  0.3744% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 233.6:
          HN    LYS+ 112 - HG2   LYS+ 112   3.10 +/- 0.08  99.994% * 98.9784% (0.41   6.23 233.59) = 100.000%  kept
          HN    ASP-  78 - HG2   LYS+ 112  19.52 +/- 0.35   0.002% *  0.5905% (0.76   0.02   0.02) =   0.000%
          HN    VAL   75 - HG2   LYS+ 112  16.94 +/- 0.31   0.004% *  0.2385% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HG2   LYS+ 112  37.05 +/- 3.49   0.000% *  0.1927% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3216 (7.27, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 0.0194, residual support = 0.21:
          QE    PHE   59 - HG2   LYS+ 112   7.01 +/- 0.29  44.787% * 30.2011% (0.90   0.02   0.22) =  58.142%  kept
          HN    PHE   59 - HG2   LYS+ 112   6.86 +/- 0.26  51.084% * 17.7173% (0.53   0.02   0.22) =  38.904%  kept
          QD    PHE   60 - HG2   LYS+ 112  10.62 +/- 0.23   3.694% * 15.0977% (0.45   0.02   0.02) =   2.397%
          HN    LYS+  66 - HG2   LYS+ 112  15.31 +/- 0.33   0.412% * 31.0863% (0.92   0.02   0.02) =   0.550%
          HN    LYS+  81 - HG2   LYS+ 112  24.58 +/- 0.35   0.024% *  5.8976% (0.18   0.02   0.02) =   0.006%
    Distance limit 4.52 A violated in 20 structures by 1.64 A, eliminated.
    Peak unassigned.
 
    Peak 3217 (2.45, 0.36, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.58, residual support = 233.6:
      O T QE    LYS+ 112 - HG2   LYS+ 112   2.25 +/- 0.10  99.989% * 92.1783% (0.20   4.58 233.59) = 100.000%  kept
        T HB3   ASP-  62 - HG2   LYS+ 112  10.71 +/- 0.39   0.009% *  2.0155% (0.99   0.02   0.02) =   0.000%
          HG3   MET   96 - HG2   LYS+ 112  17.05 +/- 0.58   0.001% *  1.3968% (0.69   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG2   LYS+ 112  14.59 +/- 0.30   0.001% *  0.4024% (0.20   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG2   LYS+ 112  25.19 +/- 0.33   0.000% *  1.6985% (0.84   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG2   LYS+ 112  32.22 +/- 0.96   0.000% *  1.3968% (0.69   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   LYS+ 112  32.55 +/- 1.23   0.000% *  0.9117% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3218 (2.45, 1.05, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.65, residual support = 233.6:
      O T QE    LYS+ 112 - HG3   LYS+ 112   2.74 +/- 0.18  99.980% * 92.2793% (0.20   4.65 233.59) = 100.000%  kept
        T HB3   ASP-  62 - HG3   LYS+ 112  11.93 +/- 0.42   0.016% *  1.9895% (0.99   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   LYS+ 112  18.64 +/- 0.60   0.001% *  1.3788% (0.69   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   LYS+ 112  15.70 +/- 0.36   0.003% *  0.3972% (0.20   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   LYS+ 112  26.41 +/- 0.30   0.000% *  1.6766% (0.84   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG3   LYS+ 112  33.75 +/- 0.94   0.000% *  1.3788% (0.69   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG3   LYS+ 112  34.27 +/- 1.25   0.000% *  0.8999% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 0.265, support = 0.0191, residual support = 0.0191:
          QE    PHE   95 - HG3   LYS+ 112   7.42 +/- 0.42  98.432% *  6.9459% (0.28   0.02   0.02) =  95.266%  kept
          HD1   TRP   49 - HG3   LYS+ 112  16.19 +/- 0.37   0.975% * 24.1093% (0.97   0.02   0.02) =   3.274%
          HN    LEU   67 - HG3   LYS+ 112  18.38 +/- 0.29   0.442% * 17.1603% (0.69   0.02   0.02) =   1.056%
          HD2   HIS   22 - HG3   LYS+ 112  24.15 +/- 1.47   0.089% * 24.9820% (1.00   0.02   0.02) =   0.310%
          HN    THR   23 - HG3   LYS+ 112  26.73 +/- 0.50   0.046% *  7.7106% (0.31   0.02   0.02) =   0.050%
          HD21  ASN   35 - HG3   LYS+ 112  31.93 +/- 0.87   0.016% * 19.0919% (0.76   0.02   0.02) =   0.043%
    Distance limit 4.69 A violated in 20 structures by 2.73 A, eliminated.
    Peak unassigned.
 
    Peak 3220 (8.51, 1.05, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.94, residual support = 233.6:
          HN    LYS+ 112 - HG3   LYS+ 112   3.29 +/- 0.12  99.995% * 98.9294% (0.41   5.94 233.59) = 100.000%  kept
          HN    ASP-  78 - HG3   LYS+ 112  20.28 +/- 0.40   0.002% *  0.6188% (0.76   0.02   0.02) =   0.000%
          HN    VAL   75 - HG3   LYS+ 112  18.24 +/- 0.34   0.004% *  0.2499% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 112  38.39 +/- 3.61   0.000% *  0.2019% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3221 (2.45, 1.20, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.63, residual support = 233.6:
      O   QE    LYS+ 112 - HD2   LYS+ 112   2.47 +/- 0.06  99.984% * 90.3227% (0.20   3.63 233.59) = 100.000%  kept
          HB3   ASP-  62 - HD2   LYS+ 112  10.86 +/- 0.45   0.015% *  2.4936% (0.99   0.02   0.02) =   0.000%
        T HG3   MET   96 - HD2   LYS+ 112  19.76 +/- 0.58   0.000% *  1.7282% (0.69   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD2   LYS+ 112  17.28 +/- 0.30   0.001% *  0.4979% (0.20   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD2   LYS+ 112  28.13 +/- 0.31   0.000% *  2.1014% (0.84   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD2   LYS+ 112  34.54 +/- 1.09   0.000% *  1.7282% (0.69   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD2   LYS+ 112  34.64 +/- 1.24   0.000% *  1.1280% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 233.6:
      O   HG2   LYS+ 112 - HD3   LYS+ 112   2.70 +/- 0.09  99.984% * 99.2484% (0.85   5.70 233.59) = 100.000%  kept
          QG1   VAL   42 - HD3   LYS+ 112  12.69 +/- 0.36   0.009% *  0.3846% (0.94   0.02   0.02) =   0.000%
          QB    ALA   47 - HD3   LYS+ 112  13.43 +/- 0.54   0.007% *  0.3670% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 233.6:
      O   QE    LYS+ 112 - HD3   LYS+ 112   2.30 +/- 0.06  99.983% * 89.4571% (0.19   3.30 233.59) = 100.000%  kept
          HB3   ASP-  62 - HD3   LYS+ 112   9.96 +/- 0.45   0.016% *  2.7167% (0.94   0.02   0.02) =   0.000%
          HG3   MET   96 - HD3   LYS+ 112  18.58 +/- 0.62   0.000% *  1.8828% (0.65   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD3   LYS+ 112  16.90 +/- 0.41   0.001% *  0.5424% (0.19   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD3   LYS+ 112  27.43 +/- 0.45   0.000% *  2.2894% (0.79   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD3   LYS+ 112  33.67 +/- 1.10   0.000% *  1.8828% (0.65   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD3   LYS+ 112  33.37 +/- 1.33   0.000% *  1.2288% (0.42   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3224 (0.36, 2.43, 41.54 ppm):
    6 chemical-shift based assignments, quality = 0.749, support = 4.58, residual support = 233.6:
      O T HG2   LYS+ 112 - QE    LYS+ 112   2.25 +/- 0.10  99.926% * 98.7896% (0.75   4.58 233.59) = 100.000%  kept
          QG1   VAL   42 - QE    LYS+ 112  10.42 +/- 0.29   0.011% *  0.4766% (0.83   0.02   0.02) =   0.000%
          QB    ALA   47 - QE    LYS+ 112  10.47 +/- 0.51   0.011% *  0.4549% (0.79   0.02   0.02) =   0.000%
          QG1   VAL   42 - HB3   ASP-  62   8.38 +/- 0.39   0.042% *  0.0975% (0.17   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB3   ASP-  62  10.71 +/- 0.39   0.009% *  0.0882% (0.15   0.02   0.02) =   0.000%
          QB    ALA   47 - HB3   ASP-  62  15.25 +/- 0.51   0.001% *  0.0931% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3225 (0.77, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.439, support = 1.45, residual support = 7.38:
          QD1   ILE   56 - QE    LYS+ 112   2.31 +/- 0.23  99.871% * 88.7748% (0.44   1.45   7.38) =  99.999%  kept
          QD1   ILE   56 - HB3   ASP-  62   8.42 +/- 0.37   0.052% *  0.2498% (0.09   0.02   0.02) =   0.000%
          QG2   VAL   18 - HB3   ASP-  62   8.66 +/- 0.49   0.045% *  0.1952% (0.07   0.02   0.02) =   0.000%
          QG2   VAL   18 - QE    LYS+ 112  11.77 +/- 0.47   0.007% *  0.9541% (0.34   0.02   0.02) =   0.000%
          QG2   THR   46 - QE    LYS+ 112  11.38 +/- 0.70   0.008% *  0.7163% (0.26   0.02   0.02) =   0.000%
          QG1   VAL   43 - QE    LYS+ 112  13.65 +/- 0.65   0.003% *  1.5014% (0.54   0.02   0.02) =   0.000%
          QD2   LEU   73 - QE    LYS+ 112  15.28 +/- 0.47   0.001% *  1.8584% (0.67   0.02   0.02) =   0.000%
          QG1   VAL   41 - QE    LYS+ 112  17.05 +/- 0.34   0.001% *  1.9385% (0.70   0.02   0.02) =   0.000%
          QD2   LEU   73 - HB3   ASP-  62  13.20 +/- 0.38   0.003% *  0.3802% (0.14   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB3   ASP-  62  13.19 +/- 0.33   0.003% *  0.3072% (0.11   0.02   0.02) =   0.000%
          QG2   THR   46 - HB3   ASP-  62  13.20 +/- 0.99   0.004% *  0.1466% (0.05   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB3   ASP-  62  15.54 +/- 0.41   0.001% *  0.3966% (0.14   0.02   0.02) =   0.000%
          HG    LEU   31 - QE    LYS+ 112  22.67 +/- 0.70   0.000% *  2.1424% (0.77   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   ASP-  62  22.33 +/- 1.01   0.000% *  0.4383% (0.16   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3226 (1.06, 2.43, 41.54 ppm):
    10 chemical-shift based assignments, quality = 0.806, support = 4.65, residual support = 233.6:
      O T HG3   LYS+ 112 - QE    LYS+ 112   2.74 +/- 0.18  92.885% * 98.8167% (0.81   4.65 233.59) =  99.993%  kept
          HG    LEU   63 - HB3   ASP-  62   4.81 +/- 1.17   6.970% *  0.0809% (0.15   0.02  41.72) =   0.006%
          HG    LEU   63 - QE    LYS+ 112   9.01 +/- 1.03   0.096% *  0.3953% (0.75   0.02   0.02) =   0.000%
          QG2   VAL  108 - QE    LYS+ 112  10.82 +/- 0.29   0.027% *  0.1099% (0.21   0.02   0.02) =   0.000%
        T HG3   LYS+ 112 - HB3   ASP-  62  11.93 +/- 0.42   0.015% *  0.0870% (0.16   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QE    LYS+ 112  21.12 +/- 0.49   0.000% *  0.3368% (0.64   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    LYS+ 112  17.10 +/- 0.39   0.002% *  0.0680% (0.13   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   ASP-  62  15.36 +/- 0.35   0.003% *  0.0225% (0.04   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB3   ASP-  62  16.24 +/- 0.58   0.002% *  0.0139% (0.03   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   ASP-  62  22.41 +/- 0.53   0.000% *  0.0689% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3227 (1.14, 2.43, 41.54 ppm):
    12 chemical-shift based assignments, quality = 0.43, support = 0.0197, residual support = 0.0197:
          HG13  ILE  119 - QE    LYS+ 112   6.50 +/- 0.66  22.940% * 13.8021% (0.54   0.02   0.02) =  43.010%  kept
        T QG2   VAL  107 - QE    LYS+ 112   6.44 +/- 0.24  19.533% * 12.9407% (0.51   0.02   0.02) =  34.336%  kept
          HG13  ILE  119 - HB3   ASP-  62   5.42 +/- 0.73  55.596% *  2.8239% (0.11   0.02   0.02) =  21.327%  kept
          QG2   VAL  107 - HB3   ASP-  62  10.13 +/- 0.32   1.266% *  2.6477% (0.10   0.02   0.02) =   0.455%
          HG2   LYS+ 121 - QE    LYS+ 112  14.07 +/- 0.58   0.186% * 17.8210% (0.70   0.02   0.02) =   0.451%
          QB    ALA   20 - QE    LYS+ 112  16.41 +/- 0.48   0.071% * 21.2883% (0.83   0.02   0.02) =   0.207%
          HG2   LYS+ 121 - HB3   ASP-  62  13.61 +/- 0.49   0.209% *  3.6462% (0.14   0.02   0.02) =   0.104%
          QB    ALA   20 - HB3   ASP-  62  15.33 +/- 0.36   0.108% *  4.3556% (0.17   0.02   0.02) =   0.064%
          HG13  ILE  103 - QE    LYS+ 112  17.73 +/- 0.48   0.045% *  4.2223% (0.17   0.02   0.02) =   0.026%
          HB3   LEU   31 - QE    LYS+ 112  23.47 +/- 0.61   0.008% * 12.9407% (0.51   0.02   0.02) =   0.015%
          HB3   LEU   31 - HB3   ASP-  62  22.91 +/- 0.81   0.009% *  2.6477% (0.10   0.02   0.02) =   0.003%
          HG13  ILE  103 - HB3   ASP-  62  19.00 +/- 0.53   0.029% *  0.8639% (0.03   0.02   0.02) =   0.003%
    Distance limit 3.47 A violated in 20 structures by 1.37 A, eliminated.
    Peak unassigned.
 
    Peak 3228 (7.33, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.723, support = 0.237, residual support = 0.236:
          QD    PHE   55 - QE    LYS+ 112   2.62 +/- 0.57  97.489% * 67.8471% (0.72   0.24   0.24) =  99.817%  kept
          QE    PHE   95 - QE    LYS+ 112   5.61 +/- 0.39   1.741% *  6.4652% (0.82   0.02   0.02) =   0.170%
          QE    PHE   95 - HB3   ASP-  62   7.81 +/- 0.37   0.296% *  1.3228% (0.17   0.02   0.02) =   0.006%
          HN    LEU   67 - HB3   ASP-  62   7.32 +/- 0.46   0.420% *  0.8730% (0.11   0.02   0.02) =   0.006%
          QD    PHE   55 - HB3   ASP-  62  10.88 +/- 0.62   0.033% *  1.1706% (0.15   0.02   0.02) =   0.001%
          HN    LEU   67 - QE    LYS+ 112  13.80 +/- 0.28   0.009% *  4.2669% (0.54   0.02   0.02) =   0.001%
          HD1   TRP   49 - QE    LYS+ 112  14.71 +/- 0.45   0.006% *  2.0358% (0.26   0.02   0.02) =   0.000%
          HE3   TRP   27 - QE    LYS+ 112  19.90 +/- 0.47   0.001% *  5.2815% (0.67   0.02   0.02) =   0.000%
          HN    THR   23 - QE    LYS+ 112  22.57 +/- 0.43   0.000% *  6.3654% (0.81   0.02   0.02) =   0.000%
          HD2   HIS   22 - QE    LYS+ 112  20.10 +/- 1.29   0.001% *  1.3053% (0.17   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   ASP-  62  19.49 +/- 0.48   0.001% *  1.0806% (0.14   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   ASP-  62  23.16 +/- 0.41   0.000% *  1.3024% (0.16   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASP-  62  21.00 +/- 0.63   0.001% *  0.4165% (0.05   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   ASP-  62  20.34 +/- 1.06   0.001% *  0.2671% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3230 (8.17, 2.68, 39.79 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 3.42, residual support = 21.5:
          HN    GLU- 114 - QB    ASP- 113   2.48 +/- 0.10  98.135% * 98.0786% (0.84   3.42  21.50) =  99.987%  kept
          HN    GLN  116 - QB    ASP- 113   4.94 +/- 0.13   1.655% *  0.6737% (0.98   0.02   1.50) =   0.012%
          HN    THR  118 - QB    ASP- 113   6.97 +/- 0.20   0.205% *  0.5504% (0.80   0.02   0.02) =   0.001%
          HN    PHE   60 - QB    ASP- 113  12.85 +/- 0.25   0.005% *  0.3891% (0.57   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    ASP- 113  22.01 +/- 0.19   0.000% *  0.3081% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 3.2, residual support = 13.6:
      O   HN    ASP- 113 - QB    ASP- 113   2.08 +/- 0.09  99.999% * 99.8884% (0.98   3.20  13.59) = 100.000%  kept
          HN    MET   92 - QB    ASP- 113  14.37 +/- 0.42   0.001% *  0.1116% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 0.402, support = 0.0196, residual support = 0.0196:
        T QG1   ILE   56 - HA    ASP- 113   8.79 +/- 0.19  98.137% * 20.6001% (0.41   0.02   0.02) =  97.853%  kept
          HB    ILE   89 - HA    ASP- 113  20.64 +/- 0.29   0.596% * 46.2556% (0.92   0.02   0.02) =   1.334%
        T HB3   LYS+  99 - HA    ASP- 113  21.84 +/- 0.37   0.420% * 26.3630% (0.53   0.02   0.02) =   0.536%
          HB    VAL   43 - HA    ASP- 113  19.46 +/- 0.33   0.848% *  6.7814% (0.14   0.02   0.02) =   0.278%
    Distance limit 4.06 A violated in 20 structures by 4.73 A, eliminated.
    Peak unassigned.
 
    Peak 3233 (8.17, 4.14, 59.59 ppm):
    10 chemical-shift based assignments, quality = 0.741, support = 4.37, residual support = 50.3:
      O   HN    GLU- 114 - HA    GLU- 114   2.82 +/- 0.02  54.053% * 45.7339% (0.84   3.70  38.70) =  78.213%  kept
      O   HN    GLN  116 - HA    LEU  115   3.61 +/- 0.02  12.207% * 50.4654% (0.45   7.56 102.94) =  19.490%  kept
          HN    THR  118 - HA    LEU  115   3.18 +/- 0.08  26.024% *  2.7218% (0.37   0.50   0.13) =   2.241%
          HN    GLN  116 - HA    GLU- 114   4.60 +/- 0.15   2.909% *  0.2900% (0.98   0.02   0.22) =   0.027%
          HN    THR  118 - HA    GLU- 114   4.57 +/- 0.23   3.158% *  0.2369% (0.80   0.02   0.23) =   0.024%
          HN    GLU- 114 - HA    LEU  115   5.08 +/- 0.09   1.580% *  0.1137% (0.38   0.02  13.72) =   0.006%
          HN    PHE   60 - HA    LEU  115   8.71 +/- 0.27   0.063% *  0.0771% (0.26   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  13.17 +/- 0.28   0.005% *  0.1675% (0.57   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  17.25 +/- 0.22   0.001% *  0.0610% (0.21   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  21.16 +/- 0.24   0.000% *  0.1326% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 0.545, support = 6.75, residual support = 169.3:
      O   HN    LEU  115 - HA    LEU  115   2.85 +/- 0.01  77.290% * 40.5439% (0.41   7.42 227.84) =  72.654%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.57 +/- 0.03  19.987% * 59.0017% (0.90   4.97  13.72) =  27.342%  kept
          HN    ASP- 113 - HA    GLU- 114   5.17 +/- 0.05   2.171% *  0.0736% (0.28   0.02  21.50) =   0.004%
          HN    ASP- 113 - HA    LEU  115   6.61 +/- 0.11   0.498% *  0.0339% (0.13   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115  10.01 +/- 0.23   0.042% *  0.1093% (0.41   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  12.27 +/- 0.20   0.012% *  0.2375% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3235 (8.17, 2.00, 29.90 ppm):
    5 chemical-shift based assignments, quality = 0.806, support = 3.73, residual support = 38.7:
      O   HN    GLU- 114 - QB    GLU- 114   2.51 +/- 0.04  96.773% * 98.2377% (0.81   3.73  38.70) =  99.981%  kept
          HN    GLN  116 - QB    GLU- 114   4.89 +/- 0.14   1.790% *  0.6179% (0.95   0.02   0.22) =   0.012%
          HN    THR  118 - QB    GLU- 114   5.11 +/- 0.20   1.421% *  0.5048% (0.77   0.02   0.23) =   0.008%
          HN    PHE   60 - QB    GLU- 114  10.79 +/- 0.30   0.015% *  0.3569% (0.55   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    GLU- 114  17.97 +/- 0.26   0.001% *  0.2826% (0.43   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.865, support = 4.8, residual support = 13.7:
          HN    LEU  115 - QB    GLU- 114   2.79 +/- 0.12  96.054% * 99.4575% (0.87   4.80  13.72) =  99.995%  kept
          HN    ASP- 113 - QB    GLU- 114   4.77 +/- 0.11   3.884% *  0.1284% (0.27   0.02  21.50) =   0.005%
          HN    PHE   97 - QB    GLU- 114   9.59 +/- 0.25   0.062% *  0.4141% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3237 (8.17, 2.31, 37.32 ppm):
    5 chemical-shift based assignments, quality = 0.833, support = 4.29, residual support = 38.7:
          HN    GLU- 114 - QG    GLU- 114   1.99 +/- 0.07  99.718% * 98.4631% (0.83   4.29  38.70) =  99.999%  kept
          HN    GLN  116 - QG    GLU- 114   5.61 +/- 0.14   0.201% *  0.5389% (0.98   0.02   0.22) =   0.001%
          HN    THR  118 - QG    GLU- 114   6.59 +/- 0.21   0.078% *  0.4402% (0.80   0.02   0.23) =   0.000%
          HN    PHE   60 - QG    GLU- 114  12.33 +/- 0.27   0.002% *  0.3113% (0.56   0.02   0.02) =   0.000%
          HN    LEU   71 - QG    GLU- 114  20.07 +/- 0.28   0.000% *  0.2465% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 4.97, residual support = 13.7:
          HN    LEU  115 - QG    GLU- 114   3.94 +/- 0.05  99.830% * 98.3058% (0.45   4.97  13.72) =  99.999%  kept
          HN    PHE   97 - QG    GLU- 114  11.47 +/- 0.33   0.167% *  0.3955% (0.45   0.02   0.02) =   0.001%
          HN    ASN   35 - QG    GLU- 114  23.85 +/- 0.46   0.002% *  0.4641% (0.52   0.02   0.02) =   0.000%
          HN    ALA   12 - QG    GLU- 114  33.88 +/- 2.36   0.000% *  0.8345% (0.94   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3239 (1.10, 2.31, 37.32 ppm):
    6 chemical-shift based assignments, quality = 0.967, support = 0.0198, residual support = 2.13:
          QG1   VAL  107 - QG    GLU- 114   4.00 +/- 0.31  98.414% * 28.9511% (0.98   0.02   2.15) =  98.908%  kept
          HD3   LYS+ 112 - QG    GLU- 114   8.53 +/- 0.16   1.156% * 24.6705% (0.83   0.02   0.75) =   0.990%
          HG13  ILE  119 - QG    GLU- 114  10.19 +/- 0.57   0.413% *  6.5757% (0.22   0.02   0.02) =   0.094%
          QG1   VAL   24 - QG    GLU- 114  20.60 +/- 0.98   0.006% * 27.2651% (0.92   0.02   0.02) =   0.005%
          QG2   VAL   24 - QG    GLU- 114  19.89 +/- 0.57   0.007% *  5.1727% (0.17   0.02   0.02) =   0.001%
          HB3   LEU   31 - QG    GLU- 114  21.70 +/- 0.53   0.004% *  7.3649% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.55 A violated in 17 structures by 0.46 A, eliminated.
    Peak unassigned.
 
    Peak 3240 (1.14, 2.00, 29.90 ppm):
    6 chemical-shift based assignments, quality = 0.585, support = 0.987, residual support = 2.15:
        T QG2   VAL  107 - QB    GLU- 114   2.80 +/- 0.25  99.789% * 90.1137% (0.59   0.99   2.15) =  99.995%  kept
          HG13  ILE  119 - QB    GLU- 114   8.62 +/- 0.60   0.135% *  1.9472% (0.62   0.02   0.02) =   0.003%
          HG2   LYS+ 121 - QB    GLU- 114  10.12 +/- 0.50   0.051% *  2.5142% (0.81   0.02   0.02) =   0.001%
          HG13  ILE  103 - QB    GLU- 114  11.61 +/- 0.29   0.023% *  0.5957% (0.19   0.02   0.02) =   0.000%
          QB    ALA   20 - QB    GLU- 114  18.21 +/- 0.33   0.001% *  3.0034% (0.96   0.02   0.02) =   0.000%
          HB3   LEU   31 - QB    GLU- 114  19.93 +/- 0.47   0.001% *  1.8257% (0.59   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3243 (4.12, 1.46, 42.01 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 6.14, residual support = 227.8:
      O T HA    LEU  115 - HB3   LEU  115   2.28 +/- 0.17  99.628% * 98.0035% (0.92   6.14 227.84) = 100.000%  kept
        T HA    GLU- 114 - HB3   LEU  115   6.30 +/- 0.23   0.290% *  0.1551% (0.45   0.02  13.72) =   0.000%
          HA    ALA   34 - HB3   LEU   40   8.10 +/- 0.44   0.056% *  0.0325% (0.09   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB3   LEU  115  12.70 +/- 0.23   0.004% *  0.2889% (0.84   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU   40  10.63 +/- 0.63   0.012% *  0.0246% (0.07   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU  115  17.13 +/- 0.49   0.001% *  0.2511% (0.73   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU   40  14.57 +/- 1.04   0.002% *  0.0295% (0.09   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   LEU   40  15.16 +/- 0.27   0.001% *  0.0375% (0.11   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU   40  15.44 +/- 0.45   0.001% *  0.0384% (0.11   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU  115  20.85 +/- 0.82   0.000% *  0.2098% (0.61   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU  115  21.91 +/- 0.69   0.000% *  0.2769% (0.80   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU   40  12.87 +/- 0.36   0.004% *  0.0090% (0.03   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU  115  23.41 +/- 0.90   0.000% *  0.3272% (0.95   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU  115  20.85 +/- 0.72   0.000% *  0.1067% (0.31   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HB3   LEU   40  18.35 +/- 0.34   0.000% *  0.0182% (0.05   0.02   0.02) =   0.000%
        T HA    THR   26 - HB3   LEU   40  18.09 +/- 1.00   0.000% *  0.0071% (0.02   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   LEU  115  25.54 +/- 0.75   0.000% *  0.0606% (0.18   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB3   LEU   40  23.50 +/- 0.77   0.000% *  0.0339% (0.10   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU  115  27.41 +/- 0.65   0.000% *  0.0770% (0.22   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU   40  23.32 +/- 0.50   0.000% *  0.0125% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3244 (0.44, 1.46, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.14, residual support = 227.8:
      O T QD1   LEU  115 - HB3   LEU  115   2.37 +/- 0.08  99.993% * 99.5525% (0.87   6.14 227.84) = 100.000%  kept
          QG1   VAL   75 - HB3   LEU  115  13.66 +/- 0.95   0.003% *  0.3665% (0.98   0.02   0.02) =   0.000%
          QG1   VAL   75 - HB3   LEU   40  14.48 +/- 0.59   0.002% *  0.0430% (0.12   0.02   0.02) =   0.000%
        T QD1   LEU  115 - HB3   LEU   40  14.62 +/- 0.47   0.002% *  0.0381% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3245 (0.57, 1.46, 42.01 ppm):
    18 chemical-shift based assignments, quality = 0.448, support = 7.34, residual support = 227.8:
      O T QD2   LEU  115 - HB3   LEU  115   2.62 +/- 0.43  90.388% * 97.3395% (0.45   7.34 227.84) =  99.981%  kept
          QD1   LEU   63 - HB3   LEU  115   5.06 +/- 0.98   2.362% *  0.4736% (0.80   0.02   0.02) =   0.013%
          QD2   LEU   63 - HB3   LEU  115   6.32 +/- 1.07   0.758% *  0.5460% (0.92   0.02   0.02) =   0.005%
          QD1   LEU  104 - HB3   LEU   40   4.86 +/- 1.32   5.358% *  0.0154% (0.03   0.02   0.02) =   0.001%
          QG2   VAL   41 - HB3   LEU   40   6.56 +/- 0.27   0.557% *  0.0260% (0.04   0.02  18.47) =   0.000%
          QD2   LEU   63 - HB3   LEU   40   8.22 +/- 1.21   0.193% *  0.0641% (0.11   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB3   LEU   40   8.92 +/- 0.59   0.102% *  0.0556% (0.09   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB3   LEU   40   9.56 +/- 0.60   0.063% *  0.0556% (0.09   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   40   7.81 +/- 0.35   0.183% *  0.0154% (0.03   0.02  11.20) =   0.000%
          QD1   LEU   73 - HB3   LEU  115  15.47 +/- 0.68   0.003% *  0.4736% (0.80   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU  115  13.81 +/- 0.59   0.006% *  0.2220% (0.38   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU  115  13.27 +/- 1.30   0.008% *  0.1317% (0.22   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   LEU  115  13.45 +/- 0.65   0.007% *  0.1317% (0.22   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  115  18.34 +/- 0.88   0.001% *  0.2431% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU  115  17.87 +/- 1.45   0.002% *  0.1317% (0.22   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HB3   LEU   40  13.96 +/- 0.57   0.005% *  0.0311% (0.05   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   40  16.61 +/- 0.88   0.002% *  0.0285% (0.05   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   40  16.76 +/- 1.48   0.003% *  0.0154% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 0.931, support = 7.93, residual support = 97.8:
          HN    GLN  116 - HB3   LEU  115   4.04 +/- 0.41  55.368% * 82.1319% (0.98   8.34 102.94) =  95.017%  kept
          HN    THR  118 - HB3   LEU  115   5.16 +/- 0.14  13.592% * 17.4110% (0.80   2.16   0.13) =   4.945%
          HN    GLU- 114 - HB3   LEU  115   5.66 +/- 0.44   8.023% *  0.1678% (0.84   0.02  13.72) =   0.028%
          HN    PHE   60 - HB3   LEU  115   6.98 +/- 0.55   2.531% *  0.1137% (0.57   0.02   0.02) =   0.006%
          HN    LEU   71 - HB3   LEU   40   5.30 +/- 1.08  20.425% *  0.0106% (0.05   0.02   0.02) =   0.005%
          HN    LEU   71 - HB3   LEU  115  17.31 +/- 0.71   0.010% *  0.0901% (0.45   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   40  15.08 +/- 0.33   0.022% *  0.0189% (0.09   0.02   0.02) =   0.000%
          HN    PHE   60 - HB3   LEU   40  15.68 +/- 0.69   0.017% *  0.0133% (0.07   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   40  18.23 +/- 0.29   0.007% *  0.0231% (0.12   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   40  19.86 +/- 0.29   0.004% *  0.0197% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3247 (8.40, 1.46, 42.01 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 7.52, residual support = 227.8:
      O   HN    LEU  115 - HB3   LEU  115   3.26 +/- 0.28  98.100% * 99.5811% (0.90   7.52 227.84) =  99.998%  kept
          HN    ASP- 113 - HB3   LEU  115   6.50 +/- 0.58   1.578% *  0.0821% (0.28   0.02   0.02) =   0.001%
          HN    PHE   97 - HB3   LEU  115  10.76 +/- 0.62   0.091% *  0.2649% (0.90   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   LEU   40   9.14 +/- 0.23   0.225% *  0.0311% (0.11   0.02   3.45) =   0.000%
          HN    LEU  115 - HB3   LEU   40  17.96 +/- 0.26   0.004% *  0.0311% (0.11   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   LEU   40  21.74 +/- 0.24   0.001% *  0.0096% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3248 (3.47, 1.98, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 0.75, residual support = 2.15:
        T HA    LYS+ 112 - HB2   LEU  115   2.78 +/- 0.57  99.964% * 96.1906% (0.69   0.75   2.15) = 100.000%  kept
          HB2   HIS  122 - HB2   LEU  115  12.47 +/- 0.29   0.020% *  1.5352% (0.41   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LEU  115  13.34 +/- 0.58   0.016% *  0.7390% (0.20   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB2   LEU  115  24.31 +/- 0.80   0.000% *  1.5352% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3249 (7.33, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 1.32, residual support = 4.39:
          QE    PHE   95 - HB2   LEU  115   3.63 +/- 0.17  98.422% * 94.4696% (0.98   1.32   4.39) =  99.979%  kept
          QD    PHE   55 - HB2   LEU  115   7.56 +/- 0.88   1.539% *  1.2669% (0.87   0.02   0.02) =   0.021%
          HN    LEU   67 - HB2   LEU  115  14.90 +/- 0.47   0.022% *  0.9448% (0.65   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU  115  19.76 +/- 0.65   0.004% *  1.1695% (0.80   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   LEU  115  17.00 +/- 0.50   0.010% *  0.4508% (0.31   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   LEU  115  23.68 +/- 0.52   0.001% *  1.4095% (0.97   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   LEU  115  21.80 +/- 1.49   0.002% *  0.2890% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3250 (8.18, 1.98, 42.01 ppm):
    5 chemical-shift based assignments, quality = 0.8, support = 7.53, residual support = 102.9:
          HN    GLN  116 - HB2   LEU  115   3.36 +/- 0.31  79.059% * 99.1205% (0.80   7.54 102.94) =  99.956%  kept
          HN    GLU- 114 - HB2   LEU  115   4.42 +/- 0.17  15.855% *  0.1121% (0.34   0.02  13.72) =   0.023%
          HN    THR  118 - HB2   LEU  115   5.47 +/- 0.07   4.522% *  0.3220% (0.98   0.02   0.13) =   0.019%
          HN    PHE   60 - HB2   LEU  115   7.93 +/- 0.38   0.564% *  0.3220% (0.98   0.02   0.02) =   0.002%
          HN    GLU-  15 - HB2   LEU  115  25.25 +/- 0.88   0.001% *  0.1233% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3251 (8.40, 1.98, 42.01 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 7.4, residual support = 227.8:
      O   HN    LEU  115 - HB2   LEU  115   2.15 +/- 0.08  99.345% * 99.6472% (0.90   7.40 227.84) =  99.999%  kept
          HN    ASP- 113 - HB2   LEU  115   5.05 +/- 0.39   0.651% *  0.0835% (0.28   0.02   0.02) =   0.001%
          HN    PHE   97 - HB2   LEU  115  11.75 +/- 0.48   0.004% *  0.2693% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3252 (8.17, 4.12, 59.41 ppm):
    15 chemical-shift based assignments, quality = 0.612, support = 5.85, residual support = 75.6:
      O   HN    GLN  116 - HA    LEU  115   3.61 +/- 0.02  12.196% * 84.7034% (0.82   7.56 102.94) =  61.693%  kept
      O   HN    GLU- 114 - HA    GLU- 114   2.82 +/- 0.02  54.006% *  9.6656% (0.19   3.70  38.70) =  31.174%  kept
          HN    THR  118 - HA    LEU  115   3.18 +/- 0.08  26.002% *  4.5683% (0.67   0.50   0.13) =   7.094%  kept
          HN    GLU- 114 - HA    LEU  115   5.08 +/- 0.09   1.578% *  0.1909% (0.70   0.02  13.72) =   0.018%
          HN    GLN  116 - HA    GLU- 114   4.60 +/- 0.15   2.906% *  0.0613% (0.22   0.02   0.22) =   0.011%
          HN    THR  118 - HA    GLU- 114   4.57 +/- 0.23   3.155% *  0.0501% (0.18   0.02   0.23) =   0.009%
          HN    PHE   60 - HA    LEU  115   8.71 +/- 0.27   0.063% *  0.1294% (0.47   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    ARG+  54   8.31 +/- 0.13   0.082% *  0.0725% (0.27   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    ARG+  54  14.87 +/- 0.37   0.003% *  0.1256% (0.46   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  13.17 +/- 0.28   0.005% *  0.0354% (0.13   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    ARG+  54  16.08 +/- 0.22   0.002% *  0.1070% (0.39   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  17.25 +/- 0.22   0.001% *  0.1025% (0.37   0.02   0.02) =   0.000%
          HN    THR  118 - HA    ARG+  54  17.46 +/- 0.21   0.001% *  0.1026% (0.37   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    ARG+  54  21.98 +/- 0.32   0.000% *  0.0574% (0.21   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  21.16 +/- 0.24   0.000% *  0.0280% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 0.715, support = 7.08, residual support = 217.5:
      O   HN    LEU  115 - HA    LEU  115   2.85 +/- 0.01  77.284% * 83.9468% (0.75   7.42 227.84) =  95.475%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.57 +/- 0.03  19.986% * 15.3824% (0.20   4.97  13.72) =   4.524%
          HN    ASP- 113 - HA    GLU- 114   5.17 +/- 0.05   2.170% *  0.0192% (0.06   0.02  21.50) =   0.001%
          HN    ASP- 113 - HA    LEU  115   6.61 +/- 0.11   0.498% *  0.0702% (0.23   0.02   0.02) =   0.001%
          HN    PHE   97 - HA    LEU  115  10.01 +/- 0.23   0.042% *  0.2263% (0.75   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  12.27 +/- 0.20   0.012% *  0.0619% (0.20   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ARG+  54  14.60 +/- 0.23   0.004% *  0.1269% (0.42   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    ARG+  54  15.02 +/- 0.23   0.004% *  0.0393% (0.13   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ARG+  54  19.84 +/- 0.29   0.001% *  0.1269% (0.42   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3254 (8.40, 1.48, 26.92 ppm):
    6 chemical-shift based assignments, quality = 0.778, support = 7.65, residual support = 227.8:
          HN    LEU  115 - HG    LEU  115   3.50 +/- 0.77  93.104% * 99.4551% (0.78   7.65 227.84) =  99.994%  kept
          HN    ASP- 113 - HG    LEU  115   5.80 +/- 1.28   4.565% *  0.0806% (0.24   0.02   0.02) =   0.004%
          HN    PHE   97 - HG    LEU   40   7.42 +/- 0.47   2.177% *  0.0884% (0.26   0.02   3.45) =   0.002%
          HN    PHE   97 - HG    LEU  115  12.62 +/- 1.04   0.134% *  0.2601% (0.78   0.02   0.02) =   0.000%
          HN    LEU  115 - HG    LEU   40  16.48 +/- 0.45   0.015% *  0.0884% (0.26   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG    LEU   40  20.25 +/- 0.46   0.005% *  0.0274% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 8 structures by 0.09 A, kept and volume modified.
 
    Peak 3255 (6.91, 0.43, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QD1   LEU  115  10.02 +/- 0.25 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 4.23 A violated in 20 structures by 5.80 A, eliminated.
    Peak unassigned.
 
    Peak 3256 (7.32, 0.43, 25.13 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 1.32, residual support = 4.39:
          QE    PHE   95 - QD1   LEU  115   2.53 +/- 0.53  95.733% * 92.7358% (0.57   1.32   4.39) =  99.888%  kept
          QD    PHE   55 - QD1   LEU  115   4.78 +/- 0.58   4.246% *  2.3467% (0.95   0.02   0.02) =   0.112%
          HN    LEU   67 - QD1   LEU  115  11.38 +/- 0.26   0.018% *  0.4909% (0.20   0.02   0.02) =   0.000%
          HE3   TRP   27 - QD1   LEU  115  16.28 +/- 0.44   0.002% *  2.4316% (0.98   0.02   0.02) =   0.000%
          HN    THR   23 - QD1   LEU  115  19.22 +/- 0.44   0.001% *  1.3052% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  115  19.20 +/- 0.36   0.001% *  0.6897% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3257 (7.19, 0.43, 25.13 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 3.49, residual support = 22.9:
          QD    PHE   59 - QD1   LEU  115   2.37 +/- 0.16  99.988% * 98.3657% (0.95   3.49  22.88) = 100.000%  kept
          HH2   TRP   49 - QD1   LEU  115  11.04 +/- 0.49   0.011% *  0.4970% (0.84   0.02   0.02) =   0.000%
          HE21  GLN   30 - QD1   LEU  115  17.24 +/- 0.49   0.001% *  0.5743% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   27 - QD1   LEU  115  19.00 +/- 0.58   0.000% *  0.5629% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3258 (7.03, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.836, support = 0.02, residual support = 4.38:
          QD    PHE   95 - QD2   LEU  115   5.36 +/- 0.23  99.415% * 75.7271% (0.84   0.02   4.39) =  99.812%  kept
          HN    ALA   47 - QD2   LEU  115  12.67 +/- 0.36   0.585% * 24.2729% (0.27   0.02   0.02) =   0.188%
    Distance limit 3.79 A violated in 20 structures by 1.56 A, eliminated.
    Peak unassigned.
 
    Peak 3259 (7.25, 0.59, 23.43 ppm):
    5 chemical-shift based assignments, quality = 0.891, support = 2.91, residual support = 22.9:
          QE    PHE   59 - QD2   LEU  115   2.86 +/- 0.28  95.395% * 98.3606% (0.89   2.91  22.88) =  99.967%  kept
          HN    PHE   59 - QD2   LEU  115   4.89 +/- 0.58   4.107% *  0.7072% (0.93   0.02  22.88) =   0.031%
          HN    HIS  122 - QD2   LEU  115   7.13 +/- 0.25   0.425% *  0.3286% (0.43   0.02   0.02) =   0.001%
          HN    LYS+  66 - QD2   LEU  115   9.56 +/- 0.74   0.070% *  0.3286% (0.43   0.02   0.02) =   0.000%
          HH2   TRP   87 - QD2   LEU  115  16.38 +/- 0.40   0.003% *  0.2750% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 3 structures by 0.02 A, kept.
 
    Peak 3260 (1.01, 4.01, 60.31 ppm):
    8 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 14.9:
        T QD1   ILE  119 - HA    GLN  116   2.74 +/- 0.29  99.917% * 97.9068% (0.61   4.00  14.93) = 100.000%  kept
          QD1   LEU   67 - HA    GLN  116  10.30 +/- 0.39   0.040% *  0.2753% (0.34   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    GLN  116  11.46 +/- 0.47   0.022% *  0.1597% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    GLN  116  13.40 +/- 0.36   0.008% *  0.3029% (0.38   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    GLN  116  13.74 +/- 0.31   0.007% *  0.2013% (0.25   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    GLN  116  15.55 +/- 0.30   0.003% *  0.2491% (0.31   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    GLN  116  19.72 +/- 0.54   0.001% *  0.7635% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    GLN  116  19.93 +/- 0.87   0.001% *  0.1413% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3261 (0.59, 4.01, 60.31 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 6.31, residual support = 102.9:
          QD2   LEU  115 - HA    GLN  116   2.04 +/- 0.19  99.860% * 98.5634% (0.92   6.31 102.94) = 100.000%  kept
          QD1   LEU   63 - HA    GLN  116   7.17 +/- 0.77   0.064% *  0.3320% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    GLN  116   7.08 +/- 0.97   0.074% *  0.1518% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLN  116  14.60 +/- 0.56   0.001% *  0.2326% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLN  116  18.76 +/- 0.38   0.000% *  0.3320% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLN  116  22.40 +/- 0.85   0.000% *  0.3037% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLN  116  22.48 +/- 0.80   0.000% *  0.0845% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3262 (7.93, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 3.01, residual support = 14.9:
          HN    ILE  119 - HA    GLN  116   3.20 +/- 0.11  99.998% * 97.6262% (0.57   3.01  14.93) = 100.000%  kept
          HN    CYS   21 - HA    GLN  116  23.16 +/- 0.41   0.001% *  1.1066% (0.97   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN  116  21.38 +/- 0.46   0.001% *  0.3911% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    GLN  116  27.83 +/- 0.34   0.000% *  0.6492% (0.57   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLN  116  27.36 +/- 0.30   0.000% *  0.2269% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3263 (8.17, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 7.01, residual support = 115.0:
      O   HN    GLN  116 - HA    GLN  116   2.71 +/- 0.01  92.519% * 99.2342% (0.98   7.01 114.99) =  99.981%  kept
          HN    THR  118 - HA    GLN  116   4.18 +/- 0.12   7.039% *  0.2314% (0.80   0.02   0.02) =   0.018%
          HN    GLU- 114 - HA    GLN  116   6.76 +/- 0.13   0.392% *  0.2413% (0.84   0.02   0.22) =   0.001%
          HN    PHE   60 - HA    GLN  116   9.57 +/- 0.42   0.050% *  0.1636% (0.57   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLN  116  19.61 +/- 0.32   0.001% *  0.1295% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3264 (4.38, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.487, support = 0.75, residual support = 1.5:
          HA    ASP- 113 - HB2   GLN  116   2.67 +/- 0.35  99.935% * 76.9360% (0.49   0.75   1.50) =  99.997%  kept
          HA    ILE   56 - HB2   GLN  116  10.03 +/- 0.37   0.046% *  4.0677% (0.97   0.02   0.02) =   0.002%
          HA    LEU  123 - HB2   GLN  116  12.91 +/- 0.27   0.010% *  4.2056% (1.00   0.02   0.02) =   0.001%
        T HA    PRO   58 - HB2   GLN  116  13.70 +/- 0.59   0.007% *  1.7328% (0.41   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   GLN  116  22.29 +/- 0.22   0.000% *  3.5206% (0.84   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   GLN  116  20.99 +/- 0.28   0.001% *  2.3863% (0.57   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   GLN  116  27.70 +/- 0.34   0.000% *  3.9872% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   GLN  116  26.74 +/- 0.55   0.000% *  1.5819% (0.38   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN  116  32.77 +/- 1.54   0.000% *  1.5819% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3265 (0.57, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.448, support = 7.03, residual support = 102.9:
          QD2   LEU  115 - HB2   GLN  116   3.81 +/- 0.22  98.781% * 97.5365% (0.45   7.03 102.94) =  99.993%  kept
          QD2   LEU   63 - HB2   GLN  116   9.35 +/- 0.89   0.568% *  0.5715% (0.92   0.02   0.02) =   0.003%
          QD1   LEU   63 - HB2   GLN  116   9.16 +/- 0.73   0.601% *  0.4958% (0.80   0.02   0.02) =   0.003%
          QD1   LEU  104 - HB2   GLN  116  15.82 +/- 0.41   0.020% *  0.1378% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   GLN  116  20.37 +/- 0.36   0.004% *  0.4958% (0.80   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   GLN  116  18.30 +/- 0.25   0.008% *  0.2324% (0.38   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   GLN  116  17.46 +/- 1.14   0.012% *  0.1378% (0.22   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   GLN  116  23.46 +/- 0.83   0.002% *  0.2545% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   GLN  116  23.00 +/- 1.39   0.002% *  0.1378% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3266 (0.59, 2.54, 34.75 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.66, residual support = 102.9:
          QD2   LEU  115 - HG2   GLN  116   2.41 +/- 0.28  99.856% * 98.7352% (1.00   6.66 102.94) = 100.000%  kept
          QD1   LEU   63 - HG2   GLN  116   8.30 +/- 0.82   0.074% *  0.2478% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG2   GLN  116   8.58 +/- 1.04   0.068% *  0.0740% (0.25   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG2   GLN  116  16.34 +/- 0.53   0.001% *  0.2661% (0.90   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG2   GLN  116  19.72 +/- 0.45   0.000% *  0.2478% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG2   GLN  116  22.81 +/- 0.88   0.000% *  0.2960% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG2   GLN  116  22.99 +/- 0.86   0.000% *  0.1330% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3267 (7.40, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 4.41, residual support = 115.0:
      O   HE21  GLN  116 - HG2   GLN  116   2.33 +/- 0.43  99.619% * 98.5091% (0.65   4.41 114.99) =  99.999%  kept
          HN    ALA  120 - HG2   GLN  116   6.80 +/- 0.34   0.366% *  0.1920% (0.28   0.02   0.02) =   0.001%
          HN    ALA   57 - HG2   GLN  116  10.77 +/- 0.64   0.015% *  0.5013% (0.73   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG2   GLN  116  23.40 +/- 2.06   0.000% *  0.6767% (0.98   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG2   GLN  116  30.30 +/- 0.93   0.000% *  0.1209% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3268 (8.18, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 7.1, residual support = 115.0:
          HN    GLN  116 - HG2   GLN  116   2.70 +/- 0.29  98.277% * 99.0669% (0.80   7.10 114.99) =  99.995%  kept
          HN    THR  118 - HG2   GLN  116   6.02 +/- 0.12   1.001% *  0.3417% (0.98   0.02   0.02) =   0.004%
          HN    GLU- 114 - HG2   GLN  116   6.26 +/- 0.50   0.669% *  0.1189% (0.34   0.02   0.22) =   0.001%
          HN    PHE   60 - HG2   GLN  116   9.75 +/- 0.66   0.052% *  0.3417% (0.98   0.02   0.02) =   0.000%
          HN    GLU-  15 - HG2   GLN  116  27.02 +/- 0.93   0.000% *  0.1308% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3269 (7.34, 2.37, 29.51 ppm):
    8 chemical-shift based assignments, quality = 0.65, support = 0.0195, residual support = 0.0195:
          QE    PHE   95 - HB2   GLN  116   8.77 +/- 0.36  58.962% * 15.3326% (0.76   0.02   0.02) =  75.113%  kept
          QD    PHE   55 - HB2   GLN  116   9.42 +/- 0.61  39.344% *  6.8436% (0.34   0.02   0.02) =  22.371%  kept
          HN    LEU   67 - HB2   GLN  116  16.95 +/- 0.46   1.170% * 20.0629% (1.00   0.02   0.02) =   1.951%
          HD1   TRP   49 - HB2   GLN  116  21.84 +/- 0.41   0.251% * 16.7579% (0.84   0.02   0.02) =   0.350%
          HD2   HIS   22 - HB2   GLN  116  27.04 +/- 1.37   0.072% * 13.7814% (0.69   0.02   0.02) =   0.082%
          HN    THR   23 - HB2   GLN  116  28.97 +/- 0.37   0.046% * 16.0651% (0.80   0.02   0.02) =   0.061%
          HE3   TRP   27 - HB2   GLN  116  24.69 +/- 0.39   0.119% *  5.5782% (0.28   0.02   0.02) =   0.055%
          HD21  ASN   35 - HB2   GLN  116  30.21 +/- 0.89   0.036% *  5.5782% (0.28   0.02   0.02) =   0.017%
    Distance limit 4.18 A violated in 20 structures by 3.85 A, eliminated.
    Peak unassigned.
 
    Peak 3270 (8.17, 2.37, 29.51 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 7.63, residual support = 115.0:
      O   HN    GLN  116 - HB2   GLN  116   2.24 +/- 0.08  98.237% * 99.2960% (0.98   7.63 114.99) =  99.996%  kept
          HN    GLU- 114 - HB2   GLN  116   4.96 +/- 0.21   0.887% *  0.2219% (0.84   0.02   0.22) =   0.002%
          HN    THR  118 - HB2   GLN  116   4.95 +/- 0.07   0.871% *  0.2127% (0.80   0.02   0.02) =   0.002%
          HN    PHE   60 - HB2   GLN  116  11.74 +/- 0.43   0.005% *  0.1504% (0.57   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   GLN  116  22.05 +/- 0.27   0.000% *  0.1191% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3271 (8.67, 2.37, 29.51 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.9, residual support = 29.0:
          HN    SER  117 - HB2   GLN  116   2.73 +/- 0.09 100.000% * 99.5617% (0.98   4.90  28.96) = 100.000%  kept
          HN    GLY   16 - HB2   GLN  116  24.66 +/- 0.56   0.000% *  0.3460% (0.84   0.02   0.02) =   0.000%
          HN    SER   82 - HB2   GLN  116  29.49 +/- 0.35   0.000% *  0.0922% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3272 (8.67, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.9, residual support = 29.0:
      O   HN    SER  117 - HA    GLN  116   3.62 +/- 0.01  99.997% * 99.5617% (0.98   4.90  28.96) = 100.000%  kept
          HN    GLY   16 - HA    GLN  116  21.84 +/- 0.57   0.002% *  0.3460% (0.84   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLN  116  28.78 +/- 0.40   0.000% *  0.0922% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3273 (1.48, 4.24, 61.69 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 1.62, residual support = 5.3:
        T QB    ALA  120 - HA    SER  117   3.21 +/- 0.05  97.991% * 94.4897% (0.92   1.62   5.30) =  99.988%  kept
          HG    LEU  115 - HA    SER  117   7.49 +/- 0.31   0.634% *  1.1660% (0.92   0.02   2.30) =   0.008%
          HD2   LYS+ 121 - HA    SER  117   7.67 +/- 1.36   0.978% *  0.2212% (0.18   0.02   0.02) =   0.002%
          HB3   LEU  115 - HA    SER  117   8.16 +/- 0.21   0.371% *  0.4741% (0.38   0.02   2.30) =   0.002%
          HG    LEU   67 - HA    SER  117  14.36 +/- 0.79   0.013% *  0.6148% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    SER  117  17.40 +/- 0.43   0.004% *  1.2631% (1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    SER  117  16.39 +/- 0.35   0.006% *  0.4741% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    SER  117  18.91 +/- 1.04   0.003% *  0.2812% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    SER  117  22.99 +/- 0.60   0.001% *  0.6646% (0.53   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    SER  117  24.75 +/- 0.52   0.000% *  0.3512% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3274 (7.40, 4.24, 61.69 ppm):
    5 chemical-shift based assignments, quality = 0.35, support = 1.24, residual support = 9.94:
          HN    ALA  120 - HA    SER  117   3.76 +/- 0.06  95.111% * 16.9846% (0.28   1.03   5.30) =  80.410%  kept
          HE21  GLN  116 - HA    SER  117   7.19 +/- 1.13   4.872% * 80.7767% (0.65   2.10  28.96) =  19.589%  kept
          HN    ALA   57 - HA    SER  117  16.15 +/- 0.31   0.015% *  0.8640% (0.73   0.02   0.02) =   0.001%
          HE21  GLN   90 - HA    SER  117  25.34 +/- 2.30   0.001% *  1.1663% (0.98   0.02   0.02) =   0.000%
          HD21  ASN   35 - HA    SER  117  28.36 +/- 0.86   0.001% *  0.2084% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3275 (8.68, 4.24, 61.69 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 3.51, residual support = 16.2:
      O   HN    SER  117 - HA    SER  117   2.76 +/- 0.02 100.000% * 99.4599% (0.57   3.51  16.20) = 100.000%  kept
          HN    GLY   16 - HA    SER  117  23.86 +/- 0.54   0.000% *  0.3418% (0.34   0.02   0.02) =   0.000%
          HN    ALA   20 - HA    SER  117  27.05 +/- 0.30   0.000% *  0.1983% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.143, support = 0.0189, residual support = 0.0189:
          HN    LYS+  81 - QB    SER   85   6.03 +/- 0.15  79.184% *  3.4992% (0.12   0.02   0.02) =  70.312%  kept
          QE    PHE   95 - QB    SER  117   8.84 +/- 0.36   8.241% *  4.5788% (0.15   0.02   0.02) =   9.575%  kept
          HN    LYS+  81 - QB    SER   48   9.28 +/- 0.43   6.256% *  5.8981% (0.20   0.02   0.02) =   9.363%  kept
          QD    PHE   55 - QB    SER  117  11.79 +/- 0.56   1.489% * 14.4446% (0.49   0.02   0.02) =   5.456%  kept
          QD    PHE   60 - QB    SER  117  13.02 +/- 0.26   0.798% * 12.2000% (0.41   0.02   0.02) =   2.472%
          HE3   TRP   27 - QB    SER   85  12.49 +/- 0.54   1.042% *  2.5923% (0.09   0.02   0.02) =   0.685%
          QD    PHE   60 - QB    SER   48  12.93 +/- 0.43   0.842% *  3.1728% (0.11   0.02   0.02) =   0.678%
          QD    PHE   55 - QB    SER   48  14.17 +/- 0.59   0.499% *  3.7566% (0.13   0.02   0.02) =   0.475%
          HE3   TRP   27 - QB    SER   48  15.64 +/- 0.74   0.273% *  4.3694% (0.15   0.02   0.02) =   0.303%
          QE    PHE   95 - QB    SER   48  13.03 +/- 0.32   0.797% *  1.1908% (0.04   0.02   0.02) =   0.241%
          HE3   TRP   27 - QB    SER  117  21.11 +/- 0.47   0.044% * 16.8009% (0.57   0.02   0.02) =   0.187%
          QD    PHE   60 - QB    SER   85  16.56 +/- 0.28   0.188% *  1.8824% (0.06   0.02   0.02) =   0.090%
          HN    LYS+  81 - QB    SER  117  25.40 +/- 0.43   0.014% * 22.6789% (0.76   0.02   0.02) =   0.083%
          QE    PHE   95 - QB    SER   85  15.50 +/- 0.37   0.280% *  0.7065% (0.02   0.02   0.02) =   0.050%
          QD    PHE   55 - QB    SER   85  20.43 +/- 0.51   0.054% *  2.2287% (0.08   0.02   0.02) =   0.030%
    Distance limit 4.27 A violated in 20 structures by 1.58 A, eliminated.
    Peak unassigned.
 
    Peak 3280 (0.23, 3.88, 68.07 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.79, residual support = 36.5:
      O T QG2   THR  118 - HB    THR  118   2.15 +/- 0.01 100.000% *100.0000% (0.98   3.79  36.54) = 100.000%  kept
    Distance limit 3.44 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 = 0.912, support = 1.12, residual support = 5.25:
          QG1   VAL  107 - HB    THR  118   2.83 +/- 0.18  93.555% * 39.5766% (0.98   0.75   2.23) =  90.952%  kept
          HG13  ILE  119 - HB    THR  118   4.81 +/- 0.65   6.341% * 58.0731% (0.22   4.85  35.64) =   9.046%  kept
          HD3   LYS+ 112 - HB    THR  118   8.96 +/- 0.39   0.102% *  0.8993% (0.84   0.02   0.02) =   0.002%
          QG1   VAL   24 - HB    THR  118  21.91 +/- 0.99   0.000% *  0.9939% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    THR  118  20.59 +/- 0.60   0.001% *  0.2685% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    THR  118  20.87 +/- 0.57   0.001% *  0.1886% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3282 (7.24, 3.88, 68.07 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 1.92, residual support = 6.03:
          QE    PHE   59 - HB    THR  118   3.51 +/- 0.24  97.184% * 94.2576% (0.45   1.92   6.03) =  99.938%  kept
          HN    HIS  122 - HB    THR  118   6.52 +/- 0.18   2.596% *  2.0188% (0.92   0.02   2.32) =   0.057%
          HN    PHE   59 - HB    THR  118   9.87 +/- 0.22   0.210% *  1.8267% (0.84   0.02   6.03) =   0.004%
          HH2   TRP   87 - HB    THR  118  16.23 +/- 0.48   0.010% *  1.8970% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3283 (8.18, 3.88, 68.07 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.77, residual support = 36.5:
      O   HN    THR  118 - HB    THR  118   2.24 +/- 0.05  99.048% * 98.6680% (0.98   3.77  36.54) =  99.996%  kept
          HN    GLN  116 - HB    THR  118   4.98 +/- 0.09   0.817% *  0.4271% (0.80   0.02   0.02) =   0.004%
          HN    GLU- 114 - HB    THR  118   6.90 +/- 0.17   0.117% *  0.1819% (0.34   0.02   0.23) =   0.000%
          HN    PHE   60 - HB    THR  118   9.40 +/- 0.21   0.018% *  0.5228% (0.98   0.02   0.02) =   0.000%
          HN    GLU-  15 - HB    THR  118  23.47 +/- 0.75   0.000% *  0.2002% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3284 (0.26, 3.69, 67.42 ppm):
    1 chemical-shift based assignment, quality = 0.138, support = 3.66, residual support = 36.5:
      O T QG2   THR  118 - HA    THR  118   2.55 +/- 0.04 100.000% *100.0000% (0.14   3.66  36.54) = 100.000%  kept
    Distance limit 3.38 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 = 0.832, support = 0.0189, residual support = 2.11:
          QG1   VAL  107 - HA    THR  118   4.79 +/- 0.14  81.358% * 28.9511% (0.88   0.02   2.23) =  94.682%  kept
        T HG13  ILE  119 - HA    THR  118   6.24 +/- 0.47  18.086% *  6.5757% (0.20   0.02  35.64) =   4.781%
          HD3   LYS+ 112 - HA    THR  118  11.15 +/- 0.36   0.529% * 24.6705% (0.75   0.02   0.02) =   0.525%
          QG1   VAL   24 - HA    THR  118  23.28 +/- 0.99   0.007% * 27.2651% (0.83   0.02   0.02) =   0.007%
          HB3   LEU   31 - HA    THR  118  21.07 +/- 0.66   0.012% *  7.3649% (0.22   0.02   0.02) =   0.003%
          QG2   VAL   24 - HA    THR  118  22.05 +/- 0.60   0.009% *  5.1727% (0.16   0.02   0.02) =   0.002%
    Distance limit 3.86 A violated in 20 structures by 0.94 A, eliminated.
    Peak unassigned.
 
    Peak 3287 (1.50, 3.69, 67.42 ppm):
    10 chemical-shift based assignments, quality = 0.68, support = 2.0, residual support = 7.46:
          HD2   LYS+ 121 - HA    THR  118   3.88 +/- 1.30  36.978% * 76.1212% (0.89   1.96   7.46) =  68.586%  kept
        T HB3   LYS+ 121 - HA    THR  118   2.71 +/- 0.71  62.984% * 20.4694% (0.22   2.10   7.46) =  31.414%  kept
          QD    LYS+  66 - HA    THR  118  11.18 +/- 0.66   0.010% *  0.5686% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    THR  118  10.37 +/- 0.26   0.014% *  0.1371% (0.16   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR  118  11.86 +/- 0.21   0.007% *  0.1953% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    THR  118  12.82 +/- 0.43   0.004% *  0.1743% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR  118  16.69 +/- 0.78   0.001% *  0.7830% (0.90   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    THR  118  19.59 +/- 0.59   0.000% *  0.6541% (0.75   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    THR  118  21.27 +/- 0.53   0.000% *  0.7761% (0.89   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    THR  118  19.41 +/- 0.71   0.000% *  0.1208% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3288 (2.05, 3.69, 67.42 ppm):
    12 chemical-shift based assignments, quality = 0.672, support = 0.0196, residual support = 34.9:
        T HB    ILE  119 - HA    THR  118   5.59 +/- 0.07  97.893% * 11.7350% (0.69   0.02  35.64) =  97.998%  kept
          HB    VAL  108 - HA    THR  118  11.77 +/- 0.41   1.157% * 14.5256% (0.85   0.02   0.02) =   1.433%
          HB2   PRO   93 - HA    THR  118  15.27 +/- 0.28   0.238% * 14.5256% (0.85   0.02   0.02) =   0.295%
          HG2   PRO   58 - HA    THR  118  14.09 +/- 0.23   0.386% *  2.6892% (0.16   0.02   0.02) =   0.089%
          HB2   ARG+  54 - HA    THR  118  20.42 +/- 0.19   0.041% * 15.0514% (0.88   0.02   0.02) =   0.053%
          HB3   GLU- 100 - HA    THR  118  19.45 +/- 0.49   0.056% * 10.5478% (0.62   0.02   0.02) =   0.050%
          HB2   GLN   30 - HA    THR  118  21.74 +/- 0.80   0.029% * 11.7350% (0.69   0.02   0.02) =   0.029%
          HB3   PRO   68 - HA    THR  118  17.89 +/- 0.38   0.092% *  2.3693% (0.14   0.02   0.02) =   0.019%
          HG3   PRO   52 - HA    THR  118  18.50 +/- 0.33   0.075% *  2.6892% (0.16   0.02   0.02) =   0.017%
          HG3   GLN   30 - HA    THR  118  22.93 +/- 0.73   0.021% *  6.8843% (0.40   0.02   0.02) =   0.012%
          HB2   GLU-  14 - HA    THR  118  26.82 +/- 1.24   0.009% *  3.4187% (0.20   0.02   0.02) =   0.002%
          HG2   MET   11 - HA    THR  118  32.89 +/- 2.23   0.003% *  3.8289% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.24 A violated in 20 structures by 1.35 A, eliminated.
    Peak unassigned.
 
    Peak 3289 (2.28, 3.69, 67.42 ppm):
    8 chemical-shift based assignments, quality = 0.393, support = 0.0196, residual support = 34.9:
        T HG12  ILE  119 - HA    THR  118   5.85 +/- 0.07  98.909% *  7.5582% (0.40   0.02  35.64) =  97.811%  kept
          HB2   ASP-  44 - HA    THR  118  13.76 +/- 0.62   0.617% * 15.9474% (0.85   0.02   0.02) =   1.287%
          HB3   PHE   72 - HA    THR  118  15.49 +/- 0.39   0.292% * 14.6235% (0.78   0.02   0.02) =   0.559%
          QG    GLU-  15 - HA    THR  118  20.01 +/- 1.23   0.066% * 16.7092% (0.89   0.02   0.02) =   0.145%
          QG    GLN   90 - HA    THR  118  19.68 +/- 1.25   0.078% * 13.4992% (0.72   0.02   0.02) =   0.138%
          QG    GLU-  14 - HA    THR  118  24.00 +/- 1.25   0.022% * 15.5623% (0.83   0.02   0.02) =   0.045%
          QB    MET   11 - HA    THR  118  29.27 +/- 1.76   0.007% * 13.4992% (0.72   0.02   0.02) =   0.012%
          HB2   GLU-  29 - HA    THR  118  27.49 +/- 0.44   0.009% *  2.6012% (0.14   0.02   0.02) =   0.003%
    Distance limit 4.25 A violated in 20 structures by 1.59 A, eliminated.
    Peak unassigned.
 
    Peak 3290 (3.89, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.13, residual support = 36.5:
      O T HB    THR  118 - HA    THR  118   3.06 +/- 0.01  99.944% * 98.7996% (0.72   3.13  36.54) = 100.000%  kept
          HA    PHE   60 - HA    THR  118  10.85 +/- 0.26   0.050% *  0.1379% (0.16   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR  118  18.26 +/- 0.51   0.002% *  0.3236% (0.37   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR  118  18.50 +/- 0.45   0.002% *  0.2189% (0.25   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    THR  118  21.48 +/- 0.82   0.001% *  0.3236% (0.37   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR  118  25.14 +/- 1.19   0.000% *  0.1963% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3291 (7.19, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.844, support = 0.0199, residual support = 6.0:
          QD    PHE   59 - HA    THR  118   7.55 +/- 0.15  99.450% * 25.6201% (0.85   0.02   6.03) =  99.466%  kept
          HE21  GLN   30 - HA    THR  118  20.57 +/- 0.53   0.250% * 26.1376% (0.87   0.02   0.02) =   0.255%
          HH2   TRP   49 - HA    THR  118  21.68 +/- 0.41   0.179% * 22.6222% (0.75   0.02   0.02) =   0.158%
          HD1   TRP   27 - HA    THR  118  23.17 +/- 0.55   0.121% * 25.6201% (0.85   0.02   0.02) =   0.121%
    Distance limit 3.84 A violated in 20 structures by 3.71 A, eliminated.
    Peak unassigned.
 
    Peak 3292 (7.48, 3.69, 67.42 ppm):
    3 chemical-shift based assignments, quality = 0.471, support = 0.02, residual support = 0.02:
          HN    LEU  123 - HA    THR  118   6.80 +/- 0.14  99.830% * 43.4534% (0.47   0.02   0.02) =  99.875%  kept
          HZ2   TRP   49 - HA    THR  118  21.21 +/- 0.43   0.110% * 40.2018% (0.44   0.02   0.02) =   0.102%
          HE21  GLN   17 - HA    THR  118  23.50 +/- 0.75   0.060% * 16.3448% (0.18   0.02   0.02) =   0.023%
    Distance limit 4.27 A violated in 20 structures by 2.53 A, eliminated.
    Peak unassigned.
 
    Peak 3293 (7.93, 3.69, 67.42 ppm):
    5 chemical-shift based assignments, quality = 0.508, support = 5.96, residual support = 35.6:
      O   HN    ILE  119 - HA    THR  118   3.56 +/- 0.01  99.992% * 98.7869% (0.51   5.96  35.64) = 100.000%  kept
          HN    CYS   21 - HA    THR  118  22.13 +/- 0.38   0.002% *  0.5655% (0.87   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    THR  118  19.76 +/- 0.53   0.003% *  0.1999% (0.31   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    THR  118  23.85 +/- 0.38   0.001% *  0.3318% (0.51   0.02   0.02) =   0.000%
          HN    SER   37 - HA    THR  118  22.67 +/- 0.36   0.002% *  0.1160% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3294 (8.20, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.508, support = 3.65, residual support = 36.5:
      O   HN    THR  118 - HA    THR  118   2.86 +/- 0.02  99.458% * 98.1221% (0.51   3.65  36.54) =  99.998%  kept
          HN    GLN  116 - HA    THR  118   6.87 +/- 0.05   0.523% *  0.2932% (0.28   0.02   0.02) =   0.002%
          HN    PHE   60 - HA    THR  118  11.95 +/- 0.20   0.019% *  0.7607% (0.72   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    THR  118  24.17 +/- 0.75   0.000% *  0.8240% (0.78   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 0.403, support = 3.47, residual support = 36.4:
      O T HA    THR  118 - HB    THR  118   3.06 +/- 0.01  90.870% * 30.6488% (0.38   3.13  36.54) =  81.827%  kept
          HA    ILE  119 - HB    THR  118   4.49 +/- 0.08   9.064% * 68.2405% (0.53   4.98  35.64) =  18.173%  kept
          HD3   PRO   58 - HB    THR  118  11.50 +/- 0.20   0.032% *  0.2536% (0.49   0.02   0.02) =   0.000%
          HA2   GLY  109 - HB    THR  118  11.63 +/- 0.19   0.030% *  0.0804% (0.15   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    THR  118  18.73 +/- 0.27   0.002% *  0.3982% (0.76   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    THR  118  18.63 +/- 0.38   0.002% *  0.1449% (0.28   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    THR  118  22.23 +/- 0.19   0.001% *  0.2336% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3296 (1.11, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.534, support = 2.79, residual support = 10.2:
          QG1   VAL  107 - QG2   THR  118   3.04 +/- 0.16  91.032% * 23.3719% (0.51   2.00   2.23) =  76.151%  kept
          HG13  ILE  119 - QG2   THR  118   4.57 +/- 0.38   8.829% * 75.4678% (0.62   5.32  35.64) =  23.847%  kept
          HD3   LYS+ 112 - QG2   THR  118   9.24 +/- 0.37   0.123% *  0.3984% (0.87   0.02   0.02) =   0.002%
          HB3   LEU   31 - QG2   THR  118  15.46 +/- 0.50   0.005% *  0.2998% (0.65   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   THR  118  17.38 +/- 0.82   0.003% *  0.3702% (0.80   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   THR  118  14.74 +/- 0.32   0.007% *  0.0919% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3297 (1.88, 0.24, 20.84 ppm):
    13 chemical-shift based assignments, quality = 0.266, support = 1.51, residual support = 5.23:
        T HB3   ASP- 105 - QG2   THR  118   3.46 +/- 0.08  96.426% * 28.7532% (0.25   1.50   5.43) =  93.643%  kept
          QB    LYS+ 106 - QG2   THR  118   6.22 +/- 0.23   3.013% * 62.3079% (0.51   1.60   2.26) =   6.340%  kept
          HB    ILE   56 - QG2   THR  118   9.83 +/- 0.26   0.185% *  1.3043% (0.85   0.02   0.02) =   0.008%
          HB3   PRO   58 - QG2   THR  118  10.75 +/- 0.24   0.108% *  0.9472% (0.62   0.02   0.02) =   0.003%
          HB    ILE  103 - QG2   THR  118  10.19 +/- 0.24   0.151% *  0.3070% (0.20   0.02   0.02) =   0.002%
          HB2   MET   92 - QG2   THR  118  13.21 +/- 0.40   0.032% *  1.1961% (0.78   0.02   0.02) =   0.001%
          HB3   GLN   30 - QG2   THR  118  15.79 +/- 0.44   0.011% *  1.3307% (0.87   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   THR  118  16.04 +/- 0.30   0.010% *  1.3758% (0.89   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   THR  118  13.09 +/- 0.34   0.033% *  0.2729% (0.18   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   THR  118  16.07 +/- 0.36   0.010% *  0.5175% (0.34   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   THR  118  16.95 +/- 0.69   0.007% *  0.6182% (0.40   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   THR  118  15.97 +/- 0.54   0.010% *  0.3438% (0.22   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   THR  118  18.44 +/- 0.37   0.004% *  0.7255% (0.47   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3298 (2.25, 0.24, 20.84 ppm):
    11 chemical-shift based assignments, quality = 0.605, support = 2.75, residual support = 15.3:
        T HB2   ASP- 105 - QG2   THR  118   3.05 +/- 0.15  91.833% * 14.8305% (0.51   1.50   5.43) =  67.350%  kept
          HG12  ILE  119 - QG2   THR  118   4.63 +/- 0.27   7.902% * 83.5489% (0.80   5.33  35.64) =  32.648%  kept
          HB2   ASP-  44 - QG2   THR  118   8.87 +/- 0.50   0.165% *  0.1311% (0.34   0.02   0.02) =   0.001%
          HB3   PHE   72 - QG2   THR  118  10.47 +/- 0.35   0.058% *  0.1700% (0.44   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   THR  118  14.19 +/- 0.46   0.010% *  0.3224% (0.83   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   THR  118  14.65 +/- 0.90   0.010% *  0.1977% (0.51   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   THR  118  14.30 +/- 0.33   0.009% *  0.0971% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   THR  118  14.93 +/- 1.01   0.008% *  0.0971% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   THR  118  18.08 +/- 1.04   0.002% *  0.1436% (0.37   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   THR  118  17.21 +/- 0.52   0.003% *  0.1191% (0.31   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   THR  118  20.53 +/- 0.33   0.001% *  0.3424% (0.88   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3299 (3.70, 0.24, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.362, support = 3.94, residual support = 36.4:
      O T HA    THR  118 - QG2   THR  118   2.55 +/- 0.04  89.301% * 33.3097% (0.34   3.66  36.54) =  80.956%  kept
        T HA    ILE  119 - QG2   THR  118   3.65 +/- 0.09  10.658% * 65.6552% (0.47   5.14  35.64) =  19.044%  kept
          HD3   PRO   58 - QG2   THR  118  10.39 +/- 0.23   0.020% *  0.2364% (0.44   0.02   0.02) =   0.000%
          HA2   GLY  109 - QG2   THR  118  10.68 +/- 0.20   0.017% *  0.0749% (0.14   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   THR  118  14.87 +/- 0.28   0.002% *  0.3711% (0.69   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   THR  118  14.97 +/- 0.32   0.002% *  0.1350% (0.25   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   THR  118  19.28 +/- 0.22   0.000% *  0.2177% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3300 (3.89, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.79, residual support = 36.5:
      O T HB    THR  118 - QG2   THR  118   2.15 +/- 0.01  99.892% * 99.0048% (0.72   3.79  36.54) = 100.000%  kept
          HA    PHE   60 - QG2   THR  118   6.79 +/- 0.28   0.104% *  0.1143% (0.16   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR  118  13.32 +/- 0.42   0.002% *  0.2683% (0.37   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   THR  118  13.62 +/- 0.34   0.002% *  0.1815% (0.25   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR  118  16.14 +/- 0.64   0.001% *  0.2683% (0.37   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR  118  19.21 +/- 1.08   0.000% *  0.1628% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3301 (6.83, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 0.986, residual support = 2.32:
          HD2   HIS  122 - QG2   THR  118   2.95 +/- 0.07  99.776% * 96.5058% (0.90   0.99   2.32) =  99.997%  kept
          HE22  GLN  116 - QG2   THR  118   8.96 +/- 0.57   0.141% *  1.9541% (0.89   0.02   0.02) =   0.003%
          QD    PHE   45 - QG2   THR  118   9.70 +/- 0.26   0.081% *  0.7350% (0.34   0.02   0.02) =   0.001%
          HE22  GLN   17 - QG2   THR  118  18.53 +/- 0.48   0.002% *  0.8051% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3302 (7.19, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.846, support = 0.0199, residual support = 6.01:
          QD    PHE   59 - QG2   THR  118   5.07 +/- 0.20  99.676% * 25.6201% (0.85   0.02   6.03) =  99.682%  kept
          HE21  GLN   30 - QG2   THR  118  14.76 +/- 0.39   0.172% * 26.1376% (0.87   0.02   0.02) =   0.175%
          HD1   TRP   27 - QG2   THR  118  16.95 +/- 0.43   0.074% * 25.6201% (0.85   0.02   0.02) =   0.074%
          HH2   TRP   49 - QG2   THR  118  16.75 +/- 0.31   0.078% * 22.6222% (0.75   0.02   0.02) =   0.069%
    Distance limit 3.81 A violated in 20 structures by 1.26 A, eliminated.
    Peak unassigned.
 
    Peak 3303 (0.25, 3.69, 66.88 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 5.14, residual support = 35.6:
        T QG2   THR  118 - HA    ILE  119   3.65 +/- 0.09 100.000% *100.0000% (0.57   5.14  35.64) = 100.000%  kept
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3304 (1.49, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.441, support = 0.0189, residual support = 32.7:
          QB    ALA  120 - HA    ILE  119   5.01 +/- 0.01  60.543% *  9.2332% (0.45   0.02  48.63) =  60.875%  kept
          HG    LEU  115 - HA    ILE  119   6.30 +/- 1.08  23.204% *  9.2332% (0.45   0.02  12.86) =  23.331%  kept
          HD2   LYS+ 121 - HA    ILE  119   7.18 +/- 0.59   7.685% * 12.4912% (0.61   0.02   1.18) =  10.454%  kept
          QD    LYS+  66 - HA    ILE  119   7.38 +/- 0.79   8.031% *  5.1353% (0.25   0.02   0.02) =   4.491%
          HG2   LYS+  65 - HA    ILE  119  12.48 +/- 0.94   0.288% * 14.1465% (0.69   0.02   0.02) =   0.443%
          HB3   LEU   40 - HA    ILE  119  12.99 +/- 0.33   0.203% * 14.1465% (0.69   0.02   0.02) =   0.313%
          HB2   LYS+  74 - HA    ILE  119  17.61 +/- 0.60   0.033% * 19.8751% (0.97   0.02   0.02) =   0.071%
          QG2   THR   26 - HA    ILE  119  20.46 +/- 0.56   0.013% * 15.7389% (0.76   0.02   0.02) =   0.023%
    Distance limit 4.29 A violated in 16 structures by 0.38 A, eliminated.
    Peak unassigned.
 
    Peak 3305 (7.19, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 0.02, residual support = 20.5:
          QD    PHE   59 - HA    ILE  119   4.25 +/- 0.06  99.979% * 25.6201% (0.95   0.02  20.55) =  99.979%  kept
          HE21  GLN   30 - HA    ILE  119  19.53 +/- 0.48   0.011% * 26.1376% (0.97   0.02   0.02) =   0.011%
          HH2   TRP   49 - HA    ILE  119  20.84 +/- 0.36   0.007% * 22.6222% (0.84   0.02   0.02) =   0.006%
          HD1   TRP   27 - HA    ILE  119  23.79 +/- 0.46   0.003% * 25.6201% (0.95   0.02   0.02) =   0.003%
    Distance limit 3.61 A violated in 20 structures by 0.65 A, eliminated.
    Peak unassigned.
 
    Peak 3306 (7.92, 3.69, 66.88 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 8.32, residual support = 253.3:
      O   HN    ILE  119 - HA    ILE  119   2.75 +/- 0.02  99.998% * 99.3971% (0.98   8.32 253.31) = 100.000%  kept
          HN    CYS   21 - HA    ILE  119  20.73 +/- 0.40   0.001% *  0.2037% (0.84   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ILE  119  21.18 +/- 0.46   0.000% *  0.2037% (0.84   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE  119  22.98 +/- 0.33   0.000% *  0.1578% (0.65   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE  119  23.93 +/- 0.32   0.000% *  0.0376% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 0.274, support = 4.6, residual support = 41.0:
      O   HN    ALA  120 - HA    ILE  119   3.63 +/- 0.01  88.410% * 39.5773% (0.18   5.15  48.63) =  84.130%  kept
          HN    LEU  123 - HA    ILE  119   5.14 +/- 0.21  11.243% * 58.6839% (0.80   1.67   0.26) =  15.863%  kept
          HN    ALA  124 - HA    ILE  119   9.15 +/- 0.17   0.344% *  0.8607% (0.98   0.02   0.02) =   0.007%
          HE21  GLN   17 - HA    ILE  119  20.22 +/- 1.02   0.003% *  0.8781% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 2.44, residual support = 14.9:
          HA    GLN  116 - HB    ILE  119   2.56 +/- 0.27  99.997% * 96.4462% (0.84   2.44  14.93) = 100.000%  kept
          HA    VAL   70 - HB    ILE  119  17.15 +/- 0.29   0.001% *  0.7900% (0.84   0.02   0.02) =   0.000%
          HA    VAL   18 - HB    ILE  119  18.03 +/- 0.26   0.001% *  0.4307% (0.46   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB    ILE  119  19.02 +/- 0.71   0.001% *  0.2526% (0.27   0.02   0.02) =   0.000%
          HB2   SER   37 - HB    ILE  119  24.95 +/- 0.58   0.000% *  0.5295% (0.56   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    ILE  119  27.71 +/- 0.31   0.000% *  0.5944% (0.63   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    ILE  119  29.77 +/- 0.40   0.000% *  0.4634% (0.49   0.02   0.02) =   0.000%
          HA    SER   48 - HB    ILE  119  24.27 +/- 0.35   0.000% *  0.1263% (0.13   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    ILE  119  30.64 +/- 0.63   0.000% *  0.3670% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3309 (7.44, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 5.12, residual support = 48.6:
          HN    ALA  120 - HB    ILE  119   2.66 +/- 0.14  94.426% * 98.5761% (0.53   5.12  48.63) =  99.990%  kept
          HE21  GLN  116 - HB    ILE  119   4.77 +/- 0.72   5.035% *  0.1583% (0.22   0.02  14.93) =   0.009%
          HN    LEU  123 - HB    ILE  119   6.40 +/- 0.29   0.496% *  0.1959% (0.27   0.02   0.26) =   0.001%
          HN    ALA  124 - HB    ILE  119  10.04 +/- 0.32   0.033% *  0.5082% (0.69   0.02   0.02) =   0.000%
          HN    ALA   57 - HB    ILE  119  12.51 +/- 0.24   0.009% *  0.1256% (0.17   0.02   0.02) =   0.000%
          HE21  GLN   17 - HB    ILE  119  22.52 +/- 1.10   0.000% *  0.4360% (0.60   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 7.51, residual support = 253.3:
      O   HN    ILE  119 - HB    ILE  119   2.27 +/- 0.14 100.000% * 99.3331% (0.85   7.51 253.31) = 100.000%  kept
          HN    ILE   89 - HB    ILE  119  22.27 +/- 0.57   0.000% *  0.2254% (0.72   0.02   0.02) =   0.000%
          HN    CYS   21 - HB    ILE  119  22.87 +/- 0.43   0.000% *  0.2254% (0.72   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE  119  25.89 +/- 0.32   0.000% *  0.1746% (0.56   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE  119  26.74 +/- 0.33   0.000% *  0.0416% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3311 (3.97, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.566, support = 3.84, residual support = 48.6:
          HA    ALA  120 - QG2   ILE  119   3.16 +/- 0.18  98.474% * 94.9002% (0.57   3.84  48.63) =  99.996%  kept
          HA    LYS+ 121 - QG2   ILE  119   6.45 +/- 0.13   1.407% *  0.1726% (0.20   0.02   1.18) =   0.003%
          HA    LYS+  65 - QG2   ILE  119  10.48 +/- 0.54   0.086% *  0.8250% (0.95   0.02   0.02) =   0.001%
          HA2   GLY   16 - QG2   ILE  119  15.38 +/- 0.68   0.009% *  0.7822% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   ILE  119  16.30 +/- 0.28   0.006% *  0.6665% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - QG2   ILE  119  14.72 +/- 0.32   0.010% *  0.2175% (0.25   0.02   0.02) =   0.000%
          QB    SER   85 - QG2   ILE  119  21.87 +/- 0.32   0.001% *  0.7822% (0.90   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   ILE  119  19.74 +/- 0.30   0.002% *  0.2975% (0.34   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   ILE  119  21.28 +/- 0.44   0.001% *  0.4589% (0.53   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   ILE  119  17.41 +/- 0.23   0.004% *  0.1346% (0.15   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   ILE  119  20.71 +/- 0.32   0.001% *  0.2692% (0.31   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   ILE  119  23.44 +/- 0.38   0.001% *  0.4938% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3312 (7.44, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 5.77, residual support = 48.6:
          HN    ALA  120 - QG2   ILE  119   2.97 +/- 0.28  82.550% * 98.7340% (0.61   5.77  48.63) =  99.965%  kept
          HN    LEU  123 - QG2   ILE  119   4.47 +/- 0.29   7.974% *  0.1742% (0.31   0.02   0.26) =   0.017%
          HE21  GLN  116 - QG2   ILE  119   4.59 +/- 0.58   8.873% *  0.1407% (0.25   0.02  14.93) =   0.015%
          HN    ALA  124 - QG2   ILE  119   6.97 +/- 0.23   0.549% *  0.4518% (0.80   0.02   0.02) =   0.003%
          HN    ALA   57 - QG2   ILE  119  10.41 +/- 0.24   0.051% *  0.1117% (0.20   0.02   0.02) =   0.000%
          HE21  GLN   17 - QG2   ILE  119  17.60 +/- 1.26   0.003% *  0.3876% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 253.3:
          HN    ILE  119 - QG2   ILE  119   3.64 +/- 0.06  99.988% * 99.2717% (0.80   7.84 253.31) = 100.000%  kept
          HN    ILE   89 - QG2   ILE  119  19.73 +/- 0.36   0.004% *  0.3051% (0.97   0.02   0.02) =   0.000%
          HN    SER   37 - QG2   ILE  119  21.34 +/- 0.34   0.002% *  0.3154% (1.00   0.02   0.02) =   0.000%
          HN    CYS   21 - QG2   ILE  119  18.96 +/- 0.40   0.005% *  0.1078% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 0.897, support = 2.25, residual support = 12.9:
          QD2   LEU  115 - HG12  ILE  119   1.90 +/- 0.15  99.340% * 96.2454% (0.90   2.25  12.86) =  99.996%  kept
          QD1   LEU   63 - HG12  ILE  119   5.07 +/- 0.90   0.658% *  0.5401% (0.57   0.02   0.02) =   0.004%
          QD1   LEU  104 - HG12  ILE  119  13.24 +/- 0.79   0.001% *  0.9539% (1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG12  ILE  119  16.79 +/- 0.62   0.000% *  0.5401% (0.57   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG12  ILE  119  14.26 +/- 0.42   0.001% *  0.1472% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG12  ILE  119  20.79 +/- 0.97   0.000% *  0.8806% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG12  ILE  119  20.99 +/- 1.00   0.000% *  0.6927% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3315 (0.60, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.896, support = 2.25, residual support = 12.8:
          QD2   LEU  115 - HG13  ILE  119   2.88 +/- 0.48  87.409% * 96.2454% (0.90   2.25  12.86) =  99.919%  kept
          QD1   LEU   63 - HG13  ILE  119   4.40 +/- 0.73  12.563% *  0.5401% (0.57   0.02   0.02) =   0.081%
          QD1   LEU  104 - HG13  ILE  119  12.83 +/- 0.68   0.015% *  0.9539% (1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG13  ILE  119  16.11 +/- 0.38   0.004% *  0.5401% (0.57   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG13  ILE  119  14.45 +/- 0.44   0.007% *  0.1472% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG13  ILE  119  20.46 +/- 0.91   0.001% *  0.8806% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG13  ILE  119  20.77 +/- 0.86   0.001% *  0.6927% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3316 (0.17, 1.12, 30.83 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - HG13  ILE  119  10.79 +/- 0.31 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.99 A violated in 20 structures by 6.80 A, eliminated.
    Peak unassigned.
 
    Peak 3317 (7.19, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.95, residual support = 20.5:
          QD    PHE   59 - HG13  ILE  119   2.29 +/- 0.17  99.999% * 98.0688% (0.95   2.95  20.55) = 100.000%  kept
          HH2   TRP   49 - HG13  ILE  119  18.97 +/- 0.51   0.000% *  0.5874% (0.84   0.02   0.02) =   0.000%
          HE21  GLN   30 - HG13  ILE  119  19.72 +/- 0.42   0.000% *  0.6786% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   27 - HG13  ILE  119  23.79 +/- 0.48   0.000% *  0.6652% (0.95   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3318 (7.91, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.11, residual support = 253.3:
          HN    ILE  119 - HG13  ILE  119   3.26 +/- 0.50  99.995% * 99.1971% (0.80   7.11 253.31) = 100.000%  kept
          HN    ILE   89 - HG13  ILE  119  20.63 +/- 0.57   0.002% *  0.3363% (0.97   0.02   0.02) =   0.000%
          HN    SER   37 - HG13  ILE  119  24.03 +/- 0.36   0.001% *  0.3477% (1.00   0.02   0.02) =   0.000%
          HN    CYS   21 - HG13  ILE  119  20.11 +/- 0.40   0.002% *  0.1189% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 2.96, residual support = 20.5:
          QD    PHE   59 - HG12  ILE  119   2.84 +/- 0.42  99.997% * 98.6964% (0.84   2.96  20.55) = 100.000%  kept
          HH2   TRP   49 - HG12  ILE  119  18.27 +/- 0.43   0.002% *  0.2467% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   30 - HG12  ILE  119  20.77 +/- 0.74   0.001% *  0.3891% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - HG12  ILE  119  24.23 +/- 0.77   0.000% *  0.6678% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 7.34, residual support = 253.3:
          HN    ILE  119 - HG12  ILE  119   2.50 +/- 0.17  99.999% * 99.2221% (0.80   7.34 253.31) = 100.000%  kept
          HN    ILE   89 - HG12  ILE  119  20.32 +/- 0.59   0.000% *  0.3258% (0.97   0.02   0.02) =   0.000%
          HN    CYS   21 - HG12  ILE  119  20.88 +/- 0.67   0.000% *  0.1152% (0.34   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE  119  25.04 +/- 0.65   0.000% *  0.3369% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 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  10.44 +/- 0.28 100.000% *100.0000% (0.66   0.02   0.02) = 100.000%  kept
    Distance limit 3.40 A violated in 20 structures by 7.03 A, eliminated.
    Peak unassigned.
 
    Peak 3322 (0.61, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.397, support = 4.8, residual support = 12.9:
          QD2   LEU  115 - QD1   ILE  119   1.84 +/- 0.10  99.564% * 97.0406% (0.40   4.80  12.86) =  99.999%  kept
        T QD1   LEU   63 - QD1   ILE  119   4.83 +/- 0.60   0.434% *  0.1518% (0.15   0.02   0.02) =   0.001%
        T QD1   LEU  104 - QD1   ILE  119  12.31 +/- 0.58   0.001% *  0.6759% (0.66   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD1   ILE  119  12.63 +/- 0.23   0.001% *  0.5570% (0.55   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   ILE  119  18.32 +/- 0.68   0.000% *  0.9817% (0.96   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD1   ILE  119  14.60 +/- 0.31   0.000% *  0.1518% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   ILE  119  17.91 +/- 0.79   0.000% *  0.4411% (0.43   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3323 (4.03, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 4.0, residual support = 14.9:
        T HA    GLN  116 - QD1   ILE  119   2.74 +/- 0.29  99.980% * 97.3507% (0.51   4.00  14.93) = 100.000%  kept
          HA1   GLY   16 - QD1   ILE  119  14.86 +/- 0.72   0.005% *  0.7408% (0.77   0.02   0.02) =   0.000%
          HA    VAL   70 - QD1   ILE  119  14.24 +/- 0.37   0.006% *  0.4868% (0.51   0.02   0.02) =   0.000%
          HA    VAL   18 - QD1   ILE  119  13.73 +/- 0.39   0.008% *  0.1252% (0.13   0.02   0.02) =   0.000%
          HB2   SER   37 - QD1   ILE  119  20.91 +/- 0.54   0.001% *  0.9231% (0.96   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD1   ILE  119  23.01 +/- 0.41   0.000% *  0.2307% (0.24   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD1   ILE  119  24.37 +/- 0.29   0.000% *  0.1427% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3324 (6.72, 1.02, 16.06 ppm):
    2 chemical-shift based assignments, quality = 0.868, support = 0.02, residual support = 0.02:
        T HZ    PHE   72 - QD1   ILE  119   8.78 +/- 0.43  62.226% * 81.6578% (0.96   0.02   0.02) =  88.000%  kept
        T QD    PHE   72 - QD1   ILE  119   9.54 +/- 0.37  37.774% * 18.3422% (0.21   0.02   0.02) =  12.000%  kept
    Distance limit 3.66 A violated in 20 structures by 4.45 A, eliminated.
    Peak unassigned.
 
    Peak 3325 (7.00, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.5, support = 0.0196, residual support = 0.0196:
          QD    PHE   95 - QD1   ILE  119   6.86 +/- 0.27  70.352% * 23.3518% (0.47   0.02   0.02) =  65.115%  kept
          QE    PHE   72 - QD1   ILE  119   8.02 +/- 0.38  28.702% * 29.0981% (0.59   0.02   0.02) =  33.102%  kept
          HN    ALA   47 - QD1   ILE  119  14.06 +/- 0.28   0.946% * 47.5501% (0.96   0.02   0.02) =   1.784%
    Distance limit 3.72 A violated in 20 structures by 2.74 A, eliminated.
    Peak unassigned.
 
    Peak 3326 (7.23, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.536, support = 0.02, residual support = 15.9:
          HN    PHE   59 - QD1   ILE  119   4.86 +/- 0.25  80.679% * 15.6192% (0.33   0.02  20.55) =  61.362%  kept
          HN    HIS  122 - QD1   ILE  119   6.20 +/- 0.22  19.285% * 41.0656% (0.87   0.02   8.55) =  38.563%  kept
          HH2   TRP   87 - QD1   ILE  119  17.68 +/- 0.33   0.036% * 43.3152% (0.91   0.02   0.02) =   0.076%
    Distance limit 3.87 A violated in 20 structures by 0.82 A, eliminated.
    Peak unassigned.
 
    Peak 3327 (7.92, 1.02, 16.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.93, residual support = 253.3:
          HN    ILE  119 - QD1   ILE  119   3.80 +/- 0.11  99.976% * 99.2771% (0.95   6.93 253.31) = 100.000%  kept
          HN    CYS   21 - QD1   ILE  119  17.68 +/- 0.38   0.010% *  0.2443% (0.81   0.02   0.02) =   0.000%
          HN    ILE   89 - QD1   ILE  119  18.07 +/- 0.33   0.009% *  0.2443% (0.81   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE  119  21.81 +/- 0.38   0.003% *  0.1892% (0.62   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE  119  22.09 +/- 0.39   0.003% *  0.0451% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3328 (0.88, 3.95, 55.35 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.34, residual support = 27.4:
        T QD1   LEU  123 - HA    ALA  120   2.50 +/- 0.41  99.942% * 97.0648% (0.45   5.34  27.43) = 100.000%  kept
          HB3   LEU   63 - HA    ALA  120  10.37 +/- 0.79   0.032% *  0.7953% (0.98   0.02   0.02) =   0.000%
          QG1   VAL   70 - HA    ALA  120  11.41 +/- 0.36   0.016% *  0.5574% (0.69   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    ALA  120  16.78 +/- 0.48   0.002% *  0.6497% (0.80   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    ALA  120  16.30 +/- 0.34   0.002% *  0.4269% (0.53   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    ALA  120  13.58 +/- 0.32   0.006% *  0.1421% (0.18   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    ALA  120  19.16 +/- 0.54   0.001% *  0.3638% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3329 (7.45, 3.95, 55.35 ppm):
    4 chemical-shift based assignments, quality = 0.682, support = 4.09, residual support = 24.6:
          HN    LEU  123 - HA    ALA  120   2.89 +/- 0.21  44.028% * 83.4749% (0.80   4.21  27.43) =  80.989%  kept
      O   HN    ALA  120 - HA    ALA  120   2.77 +/- 0.03  55.483% * 15.5446% (0.18   3.58  12.36) =  19.006%  kept
          HN    ALA  124 - HA    ALA  120   6.10 +/- 0.14   0.489% *  0.4854% (0.98   0.02   0.02) =   0.005%
          HE21  GLN   17 - HA    ALA  120  23.42 +/- 1.27   0.000% *  0.4952% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 6.16, residual support = 312.2:
      O   HN    LYS+ 121 - HA    LYS+ 121   2.78 +/- 0.01  99.995% * 99.2572% (0.45   6.16 312.15) = 100.000%  kept
          HZ2   TRP   49 - HA    LYS+ 121  25.72 +/- 0.42   0.000% *  0.6799% (0.95   0.02   0.02) =   0.000%
          HN    LYS+ 121 - HA    LYS+  65  14.97 +/- 0.48   0.004% *  0.0202% (0.03   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HA    LYS+  65  24.32 +/- 0.35   0.000% *  0.0427% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 0.876, support = 2.37, residual support = 6.89:
          HA    THR  118 - HB2   LYS+ 121   2.97 +/- 0.65  93.677% * 39.7198% (0.87   2.29   7.46) =  90.859%  kept
          HA    ILE  119 - HB2   LYS+ 121   5.02 +/- 0.14   6.316% * 59.2694% (0.97   3.08   1.18) =   9.141%  kept
          HA2   GLY  109 - HB2   LYS+ 121  16.64 +/- 0.36   0.005% *  0.2260% (0.57   0.02   0.02) =   0.000%
          HA    ALA   84 - HB2   LYS+ 121  21.59 +/- 0.44   0.001% *  0.3051% (0.76   0.02   0.02) =   0.000%
          HA    VAL   75 - HB2   LYS+ 121  21.29 +/- 0.54   0.001% *  0.1110% (0.28   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB2   LYS+ 121  27.02 +/- 0.22   0.000% *  0.3686% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3333 (3.69, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.73, support = 2.16, residual support = 7.03:
        T HA    THR  118 - HB3   LYS+ 121   2.71 +/- 0.71  95.507% * 38.4279% (0.72   2.10   7.46) =  93.111%  kept
          HA    ILE  119 - HB3   LYS+ 121   5.03 +/- 0.13   4.488% * 60.5024% (0.81   2.97   1.18) =   6.889%  kept
          HA2   GLY  109 - HB3   LYS+ 121  16.55 +/- 0.47   0.003% *  0.2392% (0.47   0.02   0.02) =   0.000%
          HA    ALA   84 - HB3   LYS+ 121  21.70 +/- 0.50   0.001% *  0.3229% (0.64   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   LYS+ 121  21.48 +/- 0.55   0.001% *  0.1175% (0.23   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB3   LYS+ 121  27.02 +/- 0.28   0.000% *  0.3901% (0.77   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3334 (7.51, 1.52, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.749, support = 6.17, residual support = 312.2:
      O   HN    LYS+ 121 - HB3   LYS+ 121   2.46 +/- 0.51 100.000% * 99.8646% (0.75   6.17 312.15) = 100.000%  kept
          HZ2   TRP   49 - HB3   LYS+ 121  23.30 +/- 0.54   0.000% *  0.1354% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 6.44, residual support = 48.2:
          HN    HIS  122 - HB3   LYS+ 121   3.53 +/- 0.14  99.958% * 99.5563% (0.75   6.44  48.17) = 100.000%  kept
          HN    PHE   59 - HB3   LYS+ 121  13.41 +/- 0.22   0.034% *  0.1176% (0.28   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   LYS+ 121  17.16 +/- 0.67   0.008% *  0.3261% (0.79   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3336 (7.21, 1.66, 32.89 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 7.29, residual support = 48.2:
          HN    HIS  122 - HB2   LYS+ 121   3.35 +/- 0.35  99.547% * 99.2259% (0.41   7.29  48.17) =  99.999%  kept
          QD    PHE   59 - HB2   LYS+ 121   8.48 +/- 0.14   0.445% *  0.2259% (0.34   0.02   0.02) =   0.001%
          HH2   TRP   87 - HB2   LYS+ 121  17.00 +/- 0.54   0.007% *  0.3223% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 121  23.05 +/- 0.53   0.001% *  0.2259% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 6.73, residual support = 312.2:
      O   HN    LYS+ 121 - HB2   LYS+ 121   2.63 +/- 0.49 100.000% * 99.7213% (0.92   6.73 312.15) = 100.000%  kept
          HZ2   TRP   49 - HB2   LYS+ 121  23.36 +/- 0.41   0.000% *  0.2787% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 0.418, support = 0.778, residual support = 1.51:
          QD2   LEU   67 - HB2   HIS  122   2.64 +/- 0.49  96.951% * 27.1845% (0.41   0.73   1.04) =  93.826%  kept
          QG2   ILE  119 - HB2   HIS  122   5.40 +/- 0.33   2.426% * 71.3892% (0.53   1.50   8.55) =   6.166%  kept
          QD1   LEU   40 - HB2   HIS  122   6.36 +/- 0.53   0.606% *  0.3580% (0.20   0.02   0.02) =   0.008%
          QD2   LEU   71 - HB2   HIS  122  12.42 +/- 0.39   0.012% *  0.4511% (0.25   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   HIS  122  14.92 +/- 0.59   0.004% *  0.6171% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3341 (0.61, 3.45, 31.73 ppm):
    7 chemical-shift based assignments, quality = 0.315, support = 0.0198, residual support = 0.0198:
          QD1   LEU   63 - HB2   HIS  122   6.15 +/- 0.60  80.044% *  4.5130% (0.15   0.02   0.02) =  55.736%  kept
          QD2   LEU  115 - HB2   HIS  122   8.48 +/- 0.39  13.280% * 12.0248% (0.41   0.02   0.02) =  24.638%  kept
          QD1   LEU  104 - HB2   HIS  122  10.00 +/- 1.22   5.983% * 20.0916% (0.69   0.02   0.02) =  18.545%  kept
          QG2   ILE   89 - HB2   HIS  122  17.14 +/- 0.39   0.180% * 16.5597% (0.57   0.02   0.02) =   0.460%
          QD1   LEU   73 - HB2   HIS  122  14.99 +/- 0.52   0.410% *  4.5130% (0.15   0.02   0.02) =   0.285%
          QG1   VAL   83 - HB2   HIS  122  21.28 +/- 0.80   0.050% * 29.1845% (1.00   0.02   0.02) =   0.226%
          QD2   LEU   80 - HB2   HIS  122  21.05 +/- 1.03   0.054% * 13.1134% (0.45   0.02   0.02) =   0.110%
    Distance limit 4.51 A violated in 20 structures by 1.41 A, eliminated.
    Peak unassigned.
 
    Peak 3342 (6.83, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.37, residual support = 66.7:
      O   HD2   HIS  122 - HB2   HIS  122   3.95 +/- 0.02  99.820% * 98.9525% (1.00   3.37  66.72) =  99.999%  kept
          HE22  GLN  116 - HB2   HIS  122  11.90 +/- 0.91   0.149% *  0.5858% (1.00   0.02   0.02) =   0.001%
          QD    PHE   45 - HB2   HIS  122  16.11 +/- 0.43   0.022% *  0.2203% (0.38   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   HIS  122  18.83 +/- 1.01   0.009% *  0.2414% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.66 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 = 5.15, residual support = 66.7:
      O   HN    HIS  122 - HB2   HIS  122   3.63 +/- 0.03  99.019% * 98.9069% (0.41   5.15  66.72) =  99.997%  kept
          QD    PHE   59 - HB2   HIS  122   7.90 +/- 0.34   0.974% *  0.3190% (0.34   0.02   0.02) =   0.003%
          HH2   TRP   87 - HB2   HIS  122  19.03 +/- 0.54   0.005% *  0.4552% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   HIS  122  23.45 +/- 0.47   0.001% *  0.3190% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3344 (6.83, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.71, residual support = 66.7:
      O   HD2   HIS  122 - HB3   HIS  122   2.88 +/- 0.03  99.941% * 99.0465% (1.00   3.71  66.72) = 100.000%  kept
          HE22  GLN  116 - HB3   HIS  122  10.42 +/- 1.09   0.055% *  0.5332% (1.00   0.02   0.02) =   0.000%
          QD    PHE   45 - HB3   HIS  122  15.92 +/- 0.62   0.004% *  0.2006% (0.38   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   HIS  122  19.78 +/- 0.99   0.001% *  0.2197% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3345 (7.23, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 5.81, residual support = 66.7:
      O   HN    HIS  122 - HB3   HIS  122   2.60 +/- 0.10  99.981% * 99.5081% (0.90   5.81  66.72) = 100.000%  kept
          HN    PHE   59 - HB3   HIS  122  11.01 +/- 0.49   0.018% *  0.1304% (0.34   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   HIS  122  19.24 +/- 0.94   0.001% *  0.3616% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3346 (0.94, 2.76, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.476, support = 0.75, residual support = 5.26:
          QG2   ILE  119 - HB3   HIS  122   4.13 +/- 0.77  49.417% * 54.9040% (0.53   0.75   8.55) =  56.154%  kept
          QD2   LEU   67 - HB3   HIS  122   3.86 +/- 0.72  49.363% * 42.9021% (0.41   0.75   1.04) =  43.831%  kept
        T QD1   LEU   40 - HB3   HIS  122   7.08 +/- 0.89   1.182% *  0.5507% (0.20   0.02   0.02) =   0.013%
          QD2   LEU   71 - HB3   HIS  122  13.35 +/- 0.59   0.024% *  0.6939% (0.25   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB3   HIS  122  14.86 +/- 0.81   0.013% *  0.9492% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3347 (3.95, 1.85, 26.16 ppm):
    10 chemical-shift based assignments, quality = 0.681, support = 3.16, residual support = 27.4:
          HA    ALA  120 - HG    LEU  123   2.16 +/- 0.61  99.658% * 96.2267% (0.68   3.16  27.43) =  99.999%  kept
          HA    LYS+ 121 - HG    LEU  123   6.55 +/- 0.33   0.292% *  0.4218% (0.47   0.02   2.34) =   0.001%
          HA    LYS+  65 - HG    LEU  123  14.10 +/- 1.06   0.014% *  0.5129% (0.57   0.02   0.02) =   0.000%
          QB    SER  117 - HG    LEU  123   9.14 +/- 0.61   0.033% *  0.2095% (0.23   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG    LEU  123  19.43 +/- 1.29   0.002% *  0.5507% (0.62   0.02   0.02) =   0.000%
          HB    THR   94 - HG    LEU  123  21.00 +/- 0.46   0.000% *  0.4693% (0.52   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG    LEU  123  25.02 +/- 0.37   0.000% *  0.3725% (0.42   0.02   0.02) =   0.000%
          QB    SER   48 - HG    LEU  123  27.21 +/- 0.49   0.000% *  0.5327% (0.60   0.02   0.02) =   0.000%
          QB    SER   85 - HG    LEU  123  28.99 +/- 0.46   0.000% *  0.5507% (0.62   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG    LEU  123  23.67 +/- 0.43   0.000% *  0.1531% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3348 (7.48, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.361, support = 5.52, residual support = 194.1:
          HN    LEU  123 - HG    LEU  123   3.53 +/- 0.10  99.998% * 99.5304% (0.36   5.52 194.13) = 100.000%  kept
          HZ2   TRP   49 - HG    LEU  123  25.52 +/- 0.59   0.001% *  0.3339% (0.33   0.02   0.02) =   0.000%
          HE21  GLN   17 - HG    LEU  123  22.83 +/- 1.86   0.002% *  0.1357% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 0.991, support = 3.16, residual support = 27.4:
          HA    ALA  120 - HB3   LEU  123   3.59 +/- 0.16  96.931% * 96.2267% (0.99   3.16  27.43) =  99.986%  kept
          HA    LYS+ 121 - HB3   LEU  123   6.47 +/- 0.07   2.889% *  0.4218% (0.69   0.02   2.34) =   0.013%
          QB    SER  117 - HB3   LEU  123  10.53 +/- 0.16   0.153% *  0.2095% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB3   LEU  123  14.87 +/- 0.75   0.020% *  0.5129% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LEU  123  19.71 +/- 0.88   0.004% *  0.5507% (0.90   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LEU  123  22.90 +/- 0.41   0.001% *  0.4693% (0.76   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LEU  123  27.46 +/- 0.27   0.000% *  0.3725% (0.61   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LEU  123  29.16 +/- 0.41   0.000% *  0.5327% (0.87   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LEU  123  30.47 +/- 0.40   0.000% *  0.5507% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   LEU  123  26.06 +/- 0.29   0.001% *  0.1531% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3350 (7.46, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.763, support = 4.88, residual support = 100.3:
          HN    ALA  124 - HB3   LEU  123   2.97 +/- 0.03  72.761% * 29.1052% (0.57   4.10  14.90) =  52.365%  kept
      O   HN    LEU  123 - HB3   LEU  123   3.50 +/- 0.06  27.239% * 70.7224% (0.98   5.75 194.13) =  47.635%  kept
          HE21  GLN   17 - HB3   LEU  123  23.54 +/- 1.64   0.000% *  0.1724% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3351 (3.95, 1.68, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.16, residual support = 27.4:
          HA    ALA  120 - HB2   LEU  123   2.12 +/- 0.18  99.261% * 96.2267% (0.99   3.16  27.43) =  99.997%  kept
        T HA    LYS+ 121 - HB2   LEU  123   4.92 +/- 0.06   0.720% *  0.4218% (0.69   0.02   2.34) =   0.003%
          QB    SER  117 - HB2   LEU  123   9.11 +/- 0.16   0.017% *  0.2095% (0.34   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   LEU  123  14.77 +/- 0.71   0.001% *  0.5129% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU  123  19.68 +/- 0.87   0.000% *  0.5507% (0.90   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU  123  21.40 +/- 0.43   0.000% *  0.4693% (0.76   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU  123  28.10 +/- 0.40   0.000% *  0.5327% (0.87   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU  123  26.53 +/- 0.24   0.000% *  0.3725% (0.61   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU  123  29.11 +/- 0.42   0.000% *  0.5507% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   LEU  123  24.95 +/- 0.30   0.000% *  0.1531% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.71 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 = 0.98, support = 5.84, residual support = 194.1:
      O   HN    LEU  123 - HB2   LEU  123   2.24 +/- 0.08  97.534% * 99.5641% (0.98   5.84 194.13) =  99.995%  kept
          HN    ALA  124 - HB2   LEU  123   4.16 +/- 0.04   2.465% *  0.1970% (0.57   0.02  14.90) =   0.005%
          HE21  GLN   17 - HB2   LEU  123  23.38 +/- 1.50   0.000% *  0.2390% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3353 (3.97, 0.86, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.566, support = 5.34, residual support = 27.4:
        T HA    ALA  120 - QD1   LEU  123   2.50 +/- 0.41  98.408% * 96.2734% (0.57   5.34  27.43) =  99.998%  kept
          HA    LYS+ 121 - QD1   LEU  123   5.31 +/- 0.10   1.538% *  0.1261% (0.20   0.02   2.34) =   0.002%
          HA    LYS+  65 - QD1   LEU  123  10.04 +/- 0.69   0.044% *  0.6029% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU  123  14.48 +/- 0.82   0.005% *  0.5716% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD1   LEU  123  18.87 +/- 0.25   0.001% *  0.4870% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  123  16.61 +/- 0.35   0.002% *  0.1589% (0.25   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  123  23.30 +/- 0.33   0.000% *  0.5716% (0.90   0.02   0.02) =   0.000%
          HA    GLN   32 - QD1   LEU  123  23.06 +/- 0.58   0.000% *  0.3608% (0.57   0.02   0.02) =   0.000%
          HA    ALA   88 - QD1   LEU  123  23.01 +/- 0.44   0.000% *  0.3353% (0.53   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  123  21.72 +/- 0.35   0.000% *  0.2174% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  123  20.00 +/- 0.28   0.001% *  0.0983% (0.15   0.02   0.02) =   0.000%
        T HA    SER   48 - QD1   LEU  123  22.86 +/- 0.37   0.000% *  0.1967% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3354 (7.46, 1.35, 20.20 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 1.9, residual support = 9.51:
      O   HN    ALA  124 - QB    ALA  124   2.30 +/- 0.35  98.566% * 96.9980% (0.57   1.90   9.51) =  99.974%  kept
          HN    LEU  123 - QB    ALA  124   5.47 +/- 0.45   1.434% *  1.7651% (0.98   0.02  14.90) =   0.026%
          HE21  GLN   17 - QB    ALA  124  19.56 +/- 1.82   0.000% *  1.2369% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3355 (7.45, 4.11, 54.16 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 1.9, residual support = 9.51:
      O   HN    ALA  124 - HA    ALA  124   2.67 +/- 0.27  98.404% * 97.5746% (0.98   1.90   9.51) =  99.986%  kept
          HN    LEU  123 - HA    ALA  124   5.66 +/- 0.40   1.550% *  0.8378% (0.80   0.02  14.90) =   0.014%
          HN    ALA  120 - HA    ALA  124  10.08 +/- 0.33   0.042% *  0.1832% (0.18   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA  124  23.11 +/- 1.71   0.000% *  1.0463% (1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   34  16.20 +/- 1.74   0.003% *  0.1211% (0.12   0.02   0.02) =   0.000%
          HN    LEU  123 - HA    ALA   34  20.69 +/- 0.51   0.001% *  0.0970% (0.09   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   34  22.56 +/- 0.70   0.000% *  0.1187% (0.11   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   34  22.88 +/- 0.31   0.000% *  0.0212% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 0.94, support = 4.87, residual support = 55.0:
      O   HN    ALA  124 - HA    LEU  123   2.29 +/- 0.00  78.598% * 48.3119% (0.98   4.56  14.90) =  77.613%  kept
      O   HN    LEU  123 - HA    LEU  123   2.85 +/- 0.05  21.295% * 51.4342% (0.80   5.95 194.13) =  22.387%  kept
          HN    ALA  120 - HA    LEU  123   6.90 +/- 0.16   0.107% *  0.0378% (0.18   0.02  27.43) =   0.000%
          HE21  GLN   17 - HA    LEU  123  21.09 +/- 1.65   0.000% *  0.2161% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3357 (9.01, 4.38, 55.67 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HN    VAL   41 - HA    LEU  123  17.01 +/- 0.55 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 3.63 A violated in 20 structures by 13.38 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 = 22.5:
      O   HN    ILE  103 - HA    LYS+ 102   2.23 +/- 0.08  99.999% * 99.1189% (0.69   5.98  22.53) = 100.000%  kept
          HN    GLN   90 - HA    LYS+ 102  19.46 +/- 0.67   0.000% *  0.4188% (0.87   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LYS+ 102  21.31 +/- 0.73   0.000% *  0.3316% (0.69   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    LYS+ 102  18.03 +/- 0.33   0.000% *  0.0653% (0.14   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    LYS+ 102  21.75 +/- 0.76   0.000% *  0.0653% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 13.7:
      O   HN    PHE   95 - HA    THR   94   2.19 +/- 0.02 100.000% *100.0000% (0.73   3.16  13.67) = 100.000%  kept
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3360 (8.08, 1.41, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.55, residual support = 79.9:
      O   HN    LEU   80 - HB2   LEU   80   3.55 +/- 0.42  99.934% * 99.3350% (1.00   6.55  79.86) = 100.000%  kept
          HN    ALA   34 - HB2   LEU   80  15.72 +/- 0.56   0.016% *  0.2932% (0.97   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   LEU   80  13.52 +/- 0.69   0.041% *  0.0845% (0.28   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   LEU   80  17.36 +/- 0.95   0.009% *  0.2874% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3361 (8.08, 1.34, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.51, residual support = 79.9:
      O   HN    LEU   80 - HB3   LEU   80   3.03 +/- 0.45  99.975% * 99.3308% (1.00   6.51  79.86) = 100.000%  kept
          HN    ALA   34 - HB3   LEU   80  16.03 +/- 0.40   0.006% *  0.2950% (0.97   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   LEU   80  16.68 +/- 0.90   0.006% *  0.2892% (0.95   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   LEU   80  14.03 +/- 0.50   0.013% *  0.0850% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3362 (4.81, 1.34, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.94, residual support = 79.8:
      O   HA    LEU   80 - HB3   LEU   80   2.82 +/- 0.23  91.189% * 98.7571% (0.98   4.94  79.86) =  99.964%  kept
          HA    THR   23 - HB3   LEU   80   4.76 +/- 1.15   8.217% *  0.3658% (0.90   0.02  10.39) =   0.033%
          HB    THR   23 - HB3   LEU   80   7.21 +/- 1.18   0.395% *  0.3658% (0.90   0.02  10.39) =   0.002%
          HA    ASP-  78 - HB3   LEU   80   8.16 +/- 0.35   0.199% *  0.2474% (0.61   0.02   1.04) =   0.001%
          HA    ASP- 105 - HB3   LEU   80  20.71 +/- 1.17   0.001% *  0.2639% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 0.444, support = 4.04, residual support = 79.9:
      O   QD2   LEU   80 - HB3   LEU   80   2.69 +/- 0.38  44.054% * 74.1071% (0.57   3.72  79.86) =  71.667%  kept
      O   QD1   LEU   80 - HB3   LEU   80   2.60 +/- 0.45  55.887% * 23.0932% (0.14   4.85  79.86) =  28.332%  kept
        T QD1   LEU   73 - HB3   LEU   80   8.31 +/- 0.50   0.042% *  0.6495% (0.92   0.02   0.02) =   0.001%
          QG2   VAL   41 - HB3   LEU   80  10.82 +/- 0.59   0.009% *  0.1754% (0.25   0.02   0.02) =   0.000%
        T QD1   LEU   63 - HB3   LEU   80  15.40 +/- 0.99   0.001% *  0.6495% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   80  11.42 +/- 0.89   0.007% *  0.0952% (0.14   0.02   0.02) =   0.000%
        T QD2   LEU   63 - HB3   LEU   80  17.29 +/- 0.93   0.001% *  0.5634% (0.80   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   80  19.25 +/- 1.00   0.000% *  0.4267% (0.61   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   80  18.61 +/- 1.01   0.000% *  0.2400% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 0.628, support = 4.42, residual support = 71.5:
      O   HA    LEU   80 - HG    LEU   80   3.36 +/- 0.37  67.189% * 74.8811% (0.63   4.80  79.86) =  87.949%  kept
          HA    THR   23 - HG    LEU   80   4.00 +/- 0.81  30.576% * 22.5275% (0.58   1.58  10.39) =  12.041%  kept
          HB    THR   23 - HG    LEU   80   6.30 +/- 0.78   1.635% *  0.2852% (0.58   0.02  10.39) =   0.008%
          HA    ASP-  78 - HG    LEU   80   9.31 +/- 0.83   0.237% *  0.1929% (0.39   0.02   1.04) =   0.001%
          HA    ASP- 105 - HG    LEU   40   9.36 +/- 0.47   0.190% *  0.1548% (0.31   0.02   0.02) =   0.001%
          HA    THR   23 - HG    LEU   73  11.57 +/- 0.74   0.048% *  0.1132% (0.23   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   73  12.20 +/- 0.90   0.036% *  0.1132% (0.23   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   73  13.00 +/- 0.83   0.025% *  0.1237% (0.25   0.02   0.02) =   0.000%
          HB    THR   23 - HG12  ILE   19  13.75 +/- 0.52   0.017% *  0.0971% (0.20   0.02   0.02) =   0.000%
          HA    THR   23 - HG12  ILE   19  13.84 +/- 0.42   0.016% *  0.0971% (0.20   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   73  15.39 +/- 1.47   0.011% *  0.0816% (0.17   0.02   0.02) =   0.000%
          HA    LEU   80 - HG12  ILE   19  16.58 +/- 0.85   0.006% *  0.1061% (0.22   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   73  17.04 +/- 0.25   0.005% *  0.0765% (0.16   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   80  20.83 +/- 1.07   0.002% *  0.2057% (0.42   0.02   0.02) =   0.000%
          HA    THR   23 - HG    LEU   40  20.72 +/- 1.13   0.002% *  0.2146% (0.44   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   40  21.23 +/- 1.36   0.001% *  0.2345% (0.48   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   40  21.45 +/- 1.12   0.001% *  0.2146% (0.44   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG12  ILE   19  20.45 +/- 0.80   0.002% *  0.0700% (0.14   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG12  ILE   19  20.09 +/- 0.31   0.002% *  0.0656% (0.13   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   40  24.26 +/- 1.24   0.001% *  0.1451% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3367 (8.96, 1.44, 26.98 ppm):
    16 chemical-shift based assignments, quality = 0.214, support = 4.21, residual support = 133.3:
          HN    LEU   73 - HG    LEU   73   3.28 +/- 0.67  49.899% * 43.1167% (0.20   4.45 163.42) =  71.273%  kept
          HN    VAL   42 - HG    LEU   40   4.71 +/- 1.36  13.272% * 43.2863% (0.37   2.36   2.04) =  19.032%  kept
          HN    ILE   19 - HG12  ILE   19   3.51 +/- 0.32  28.616% * 10.1899% (0.03   6.08 169.98) =   9.660%  kept
          HN    VAL   42 - HG    LEU   73   5.21 +/- 1.27   3.824% *  0.1936% (0.20   0.02   1.86) =   0.025%
          HN    ILE   19 - HG    LEU   73   5.40 +/- 0.68   3.640% *  0.0391% (0.04   0.02   5.32) =   0.005%
          HN    LEU   73 - HG12  ILE   19   7.09 +/- 0.49   0.405% *  0.1660% (0.17   0.02   5.32) =   0.002%
          HN    LEU   73 - HG    LEU   40   8.88 +/- 1.45   0.149% *  0.3670% (0.37   0.02   0.02) =   0.002%
          HN    VAL   42 - HG12  ILE   19   9.20 +/- 0.75   0.087% *  0.1660% (0.17   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   40  10.50 +/- 0.28   0.035% *  0.4011% (0.41   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   80  11.44 +/- 1.05   0.025% *  0.4878% (0.49   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  14.42 +/- 0.95   0.006% *  0.4878% (0.49   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  11.63 +/- 1.32   0.025% *  0.0741% (0.08   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  12.94 +/- 1.04   0.011% *  0.0985% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  15.27 +/- 1.38   0.004% *  0.2116% (0.21   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  19.90 +/- 1.06   0.001% *  0.5331% (0.54   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  20.43 +/- 0.71   0.001% *  0.1814% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 0.753, support = 5.82, residual support = 158.9:
      O T HA    LYS+  99 - HB3   LYS+  99   2.56 +/- 0.21  68.886% * 80.0375% (0.76   6.25 173.87) =  90.604%  kept
          HA    LEU   40 - HB3   LYS+  99   3.02 +/- 0.60  31.039% * 18.4215% (0.65   1.70  14.08) =   9.396%  kept
          HA    ASN   35 - HB3   LYS+  99   8.25 +/- 0.42   0.072% *  0.3008% (0.90   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LYS+  99  16.40 +/- 0.70   0.001% *  0.3287% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LYS+  99  16.72 +/- 1.19   0.001% *  0.1504% (0.45   0.02   0.02) =   0.000%
        T HA    ILE   56 - HB3   LYS+  99  20.89 +/- 0.47   0.000% *  0.3096% (0.92   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LYS+  99  21.73 +/- 0.50   0.000% *  0.1632% (0.49   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LYS+  99  22.02 +/- 1.65   0.000% *  0.1504% (0.45   0.02   0.02) =   0.000%
        T HA    ASP- 113 - HB3   LYS+  99  21.84 +/- 0.37   0.000% *  0.1379% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 3.95, residual support = 173.9:
      O   HN    LYS+  99 - HB3   LYS+  99   3.30 +/- 0.17  99.671% * 97.4194% (0.31   3.95 173.87) =  99.997%  kept
          HN    ASN   35 - HB3   LYS+  99   9.92 +/- 0.46   0.154% *  1.3353% (0.84   0.02   0.02) =   0.002%
          HE1   HIS  122 - HB3   LYS+  99  10.45 +/- 2.55   0.173% *  0.3986% (0.25   0.02   0.02) =   0.001%
          HN    GLU-  14 - HB3   LYS+  99  20.39 +/- 1.33   0.002% *  0.2467% (0.15   0.02   0.02) =   0.000%
          HN    ALA   12 - HB3   LYS+  99  25.10 +/- 2.39   0.001% *  0.6000% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3375 (0.62, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 1.74, residual support = 17.7:
        T QD1   LEU  104 - HB3   LYS+  99   2.45 +/- 0.51  99.989% * 94.3813% (0.41   1.74  17.69) = 100.000%  kept
        T QG2   ILE   89 - HB3   LYS+  99  15.52 +/- 0.35   0.003% *  2.2104% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LYS+  99  15.67 +/- 0.56   0.003% *  2.2955% (0.87   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LYS+  99  15.16 +/- 0.59   0.003% *  0.5237% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LYS+  99  16.80 +/- 0.86   0.002% *  0.5892% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3376 (1.00, 1.72, 37.34 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 2.3, residual support = 14.1:
        T QD2   LEU   40 - HB3   LYS+  99   2.49 +/- 0.56  99.396% * 96.6788% (0.76   2.30  14.08) =  99.996%  kept
          QG2   ILE  103 - HB3   LYS+  99   7.22 +/- 0.21   0.425% *  0.6682% (0.61   0.02   0.02) =   0.003%
          QD1   LEU   67 - HB3   LYS+  99   7.66 +/- 0.51   0.174% *  0.8000% (0.73   0.02   0.02) =   0.001%
          HB    VAL   75 - HB3   LYS+  99  16.66 +/- 0.59   0.002% *  1.0421% (0.95   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LYS+  99  15.45 +/- 0.42   0.003% *  0.2747% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LYS+  99  19.64 +/- 0.82   0.001% *  0.5362% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3377 (1.32, 1.72, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.92, residual support = 173.9:
      O   HG2   LYS+  99 - HB3   LYS+  99   2.77 +/- 0.16  99.879% * 98.1960% (0.97   5.92 173.87) = 100.000%  kept
          HG2   LYS+  38 - HB3   LYS+  99   9.17 +/- 0.64   0.086% *  0.3431% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+  99  12.47 +/- 0.52   0.013% *  0.2362% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  99  14.01 +/- 0.61   0.007% *  0.1414% (0.41   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  99  16.12 +/- 0.57   0.003% *  0.2982% (0.87   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  99  14.51 +/- 0.67   0.005% *  0.1061% (0.31   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  99  14.91 +/- 0.69   0.004% *  0.0680% (0.20   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  99  17.68 +/- 0.39   0.002% *  0.1674% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  99  21.06 +/- 0.48   0.001% *  0.2628% (0.76   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  99  20.54 +/- 0.83   0.001% *  0.1809% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3378 (1.77, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 7.0, residual support = 173.9:
      O T HB2   LYS+  99 - HA    LYS+  99   2.95 +/- 0.18  99.956% * 99.2867% (0.99   7.00 173.87) = 100.000%  kept
          HB    VAL   43 - HA    LYS+  99  10.92 +/- 0.34   0.042% *  0.2707% (0.95   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  99  18.78 +/- 0.63   0.002% *  0.1620% (0.57   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    LYS+  99  23.37 +/- 0.47   0.000% *  0.2805% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 0.59, support = 5.36, residual support = 182.5:
      O T QD    LYS+  99 - HG3   LYS+  99   2.33 +/- 0.13  54.148% * 19.7221% (0.34   5.27 173.87) =  40.531%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.89 +/- 0.23  16.772% * 60.2592% (0.99   5.55 173.87) =  38.358%  kept
      O T HB    ILE   89 - HG12  ILE   89   2.57 +/- 0.06  28.980% * 19.1943% (0.34   5.17 214.84) =  21.111%  kept
        T QD    LYS+ 106 - HG12  ILE   89   9.17 +/- 1.26   0.022% *  0.0274% (0.13   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG3   LYS+  38   7.49 +/- 0.58   0.056% *  0.0078% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+  38   9.52 +/- 0.55   0.012% *  0.0227% (0.10   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  12.62 +/- 0.23   0.002% *  0.0841% (0.38   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  99  12.62 +/- 0.78   0.002% *  0.0677% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG12  ILE   89  11.63 +/- 0.82   0.004% *  0.0156% (0.07   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  18.98 +/- 0.64   0.000% *  0.2074% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  99  14.86 +/- 1.32   0.001% *  0.0384% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  17.42 +/- 0.35   0.000% *  0.0881% (0.40   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  21.08 +/- 0.73   0.000% *  0.1831% (0.84   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG12  ILE   89  17.89 +/- 0.47   0.000% *  0.0303% (0.14   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  38  18.26 +/- 1.16   0.000% *  0.0071% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  38  17.64 +/- 0.53   0.000% *  0.0040% (0.02   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  38  24.50 +/- 0.34   0.000% *  0.0216% (0.10   0.02   0.02) =   0.000%
          HB    ILE   89 - HG3   LYS+  38  25.39 +/- 0.78   0.000% *  0.0191% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3380 (1.77, 1.24, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 6.44, residual support = 173.9:
      O T HB2   LYS+  99 - HG3   LYS+  99   2.49 +/- 0.28  99.779% * 98.6806% (0.99   6.44 173.87) = 100.000%  kept
        T HB    VAL   43 - HG12  ILE   89   8.09 +/- 0.52   0.131% *  0.1186% (0.38   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89  10.27 +/- 0.52   0.026% *  0.1229% (0.40   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  13.40 +/- 0.84   0.007% *  0.2924% (0.95   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG3   LYS+  38   9.45 +/- 0.76   0.054% *  0.0320% (0.10   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  17.77 +/- 0.49   0.001% *  0.1242% (0.40   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  99  19.81 +/- 1.30   0.001% *  0.1750% (0.57   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  25.83 +/- 0.75   0.000% *  0.3030% (0.98   0.02   0.02) =   0.000%
          HB    VAL   43 - HG3   LYS+  38  17.85 +/- 0.58   0.001% *  0.0305% (0.10   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG12  ILE   89  22.69 +/- 0.53   0.000% *  0.0710% (0.23   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  38  21.48 +/- 1.00   0.000% *  0.0183% (0.06   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  38  28.46 +/- 0.70   0.000% *  0.0316% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3381 (4.01, 2.50, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.24, residual support = 115.0:
    * O   HA    GLN  116 - HG3   GLN  116   3.57 +/- 0.12  99.993% * 98.1923% (1.00   5.24 114.99) = 100.000%  kept
          HA    VAL   70 - HG3   GLN  116  22.28 +/- 0.39   0.002% *  0.3750% (1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   GLN  116  21.75 +/- 0.51   0.002% *  0.2576% (0.69   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   GLN  116  23.58 +/- 0.64   0.001% *  0.0935% (0.25   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLN  116  23.79 +/- 0.86   0.001% *  0.0742% (0.20   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG3   GLN  116  32.21 +/- 0.38   0.000% *  0.3253% (0.87   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   GLN  116  29.97 +/- 0.62   0.000% *  0.1825% (0.49   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLN  116  31.69 +/- 0.46   0.000% *  0.2274% (0.61   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG3   GLN  116  33.37 +/- 0.40   0.000% *  0.2723% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3382 (2.37, 2.50, 34.75 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.76, residual support = 115.0:
      O   HB2   GLN  116 - HG3   GLN  116   2.33 +/- 0.06  99.993% * 98.8834% (0.98   5.76 114.99) = 100.000%  kept
          HB2   PRO   58 - HG3   GLN  116  11.91 +/- 0.86   0.006% *  0.1570% (0.45   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   GLN  116  17.05 +/- 0.34   0.001% *  0.3140% (0.90   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   GLN  116  27.12 +/- 0.57   0.000% *  0.3501% (1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG3   GLN  116  26.22 +/- 0.77   0.000% *  0.1982% (0.57   0.02   0.02) =   0.000%
          QG    GLN   32 - HG3   GLN  116  30.28 +/- 0.67   0.000% *  0.0973% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3383 (0.60, 2.50, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 6.8, residual support = 102.9:
          QD2   LEU  115 - HG3   GLN  116   3.86 +/- 0.08  99.088% * 98.7666% (0.97   6.80 102.94) =  99.999%  kept
          QD1   LEU   63 - HG3   GLN  116   9.65 +/- 0.76   0.464% *  0.2069% (0.69   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG3   GLN  116   9.89 +/- 0.98   0.429% *  0.0465% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG3   GLN  116  17.29 +/- 0.48   0.013% *  0.2952% (0.98   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG3   GLN  116  21.01 +/- 0.45   0.004% *  0.2069% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   GLN  116  23.96 +/- 0.88   0.002% *  0.2952% (0.98   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   GLN  116  24.06 +/- 0.75   0.002% *  0.1827% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3384 (2.55, 2.50, 34.75 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.48, residual support = 115.0:
      O   HG2   GLN  116 - HG3   GLN  116   1.75 +/- 0.00  99.999% * 99.5761% (0.98   5.48 114.99) = 100.000%  kept
          HB3   PHE   95 - HG3   GLN  116  13.02 +/- 0.26   0.001% *  0.3506% (0.95   0.02   0.02) =   0.000%
        T HG2   GLU-  25 - HG3   GLN  116  36.01 +/- 0.42   0.000% *  0.0733% (0.20   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 = 4.08, residual support = 115.0:
      O   HE21  GLN  116 - HG3   GLN  116   3.10 +/- 0.25  99.431% * 98.4595% (0.69   4.08 114.99) =  99.999%  kept
          HN    ALA  120 - HG3   GLN  116   7.57 +/- 0.30   0.534% *  0.2169% (0.31   0.02   0.02) =   0.001%
          HN    ALA   57 - HG3   GLN  116  11.92 +/- 0.72   0.034% *  0.5370% (0.76   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG3   GLN  116  24.19 +/- 2.09   0.001% *  0.6782% (0.97   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG3   GLN  116  31.67 +/- 0.89   0.000% *  0.1084% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3387 (8.19, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 7.48, residual support = 115.0:
          HN    GLN  116 - HG3   GLN  116   3.45 +/- 0.21  95.480% * 98.9750% (0.69   7.48 114.99) =  99.991%  kept
          HN    THR  118 - HG3   GLN  116   6.85 +/- 0.13   1.614% *  0.3558% (0.92   0.02   0.02) =   0.006%
          HN    GLU- 114 - HG3   GLN  116   6.27 +/- 0.38   2.826% *  0.0961% (0.25   0.02   0.22) =   0.003%
          HN    PHE   60 - HG3   GLN  116  11.30 +/- 0.69   0.079% *  0.3855% (1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HG3   GLN  116  28.67 +/- 0.90   0.000% *  0.1876% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3388 (1.33, 1.24, 26.01 ppm):
    39 chemical-shift based assignments, quality = 0.918, support = 6.6, residual support = 177.1:
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  49.600% * 88.5976% (1.00   6.62 173.87) =  91.090%  kept
      O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  49.600% *  8.6651% (0.10   6.42 209.82) =   8.909%  kept
          QB    ALA   88 - HG12  ILE   89   4.04 +/- 0.18   0.342% *  0.0747% (0.28   0.02   7.09) =   0.001%
          QB    ALA   84 - HG12  ILE   89   4.03 +/- 0.18   0.349% *  0.0190% (0.07   0.02  11.83) =   0.000%
        T HG2   LYS+  38 - HG3   LYS+  99   7.37 +/- 0.60   0.010% *  0.2588% (0.97   0.02   0.02) =   0.000%
          QG2   THR   77 - HG12  ILE   89   5.45 +/- 0.42   0.064% *  0.0336% (0.13   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   8.18 +/- 1.25   0.010% *  0.0669% (0.25   0.02  18.01) =   0.000%
        T HG2   LYS+  99 - HG3   LYS+  38   6.91 +/- 0.57   0.015% *  0.0279% (0.10   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG12  ILE   89   9.26 +/- 1.35   0.003% *  0.0790% (0.29   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  12.87 +/- 0.80   0.000% *  0.2326% (0.87   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG12  ILE   89  11.36 +/- 0.26   0.001% *  0.0529% (0.20   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG12  ILE   89  13.69 +/- 0.52   0.000% *  0.1004% (0.37   0.02   0.02) =   0.000%
          HG    LEU   98 - HG12  ILE   89  11.69 +/- 1.29   0.001% *  0.0271% (0.10   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG12  ILE   89  10.71 +/- 0.20   0.001% *  0.0168% (0.06   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  15.89 +/- 0.97   0.000% *  0.1626% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG12  ILE   89  14.56 +/- 0.39   0.000% *  0.0943% (0.35   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  15.34 +/- 0.75   0.000% *  0.0915% (0.34   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  16.62 +/- 1.14   0.000% *  0.1305% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.69 +/- 0.60   0.000% *  0.0243% (0.09   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  17.80 +/- 0.45   0.000% *  0.1842% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG12  ILE   89  16.65 +/- 0.37   0.000% *  0.0660% (0.25   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  13.15 +/- 1.95   0.001% *  0.0070% (0.03   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG12  ILE   89  19.31 +/- 0.27   0.000% *  0.1085% (0.40   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  22.04 +/- 0.94   0.000% *  0.1947% (0.73   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  19.44 +/- 0.72   0.000% *  0.0828% (0.31   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  23.45 +/- 0.48   0.000% *  0.2475% (0.92   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  99  18.71 +/- 0.57   0.000% *  0.0470% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG12  ILE   89  23.02 +/- 0.61   0.000% *  0.1049% (0.39   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  99  21.39 +/- 0.81   0.000% *  0.0414% (0.15   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  21.77 +/- 0.69   0.000% *  0.0192% (0.07   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  19.59 +/- 0.95   0.000% *  0.0095% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  21.48 +/- 0.68   0.000% *  0.0170% (0.06   0.02   0.02) =   0.000%
          QB    ALA  124 - HG12  ILE   89  24.56 +/- 0.50   0.000% *  0.0371% (0.14   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  21.87 +/- 0.61   0.000% *  0.0136% (0.05   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  24.37 +/- 0.67   0.000% *  0.0203% (0.08   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  23.15 +/- 0.49   0.000% *  0.0086% (0.03   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  38  21.70 +/- 0.53   0.000% *  0.0049% (0.02   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  30.22 +/- 0.75   0.000% *  0.0258% (0.10   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  38  27.15 +/- 0.49   0.000% *  0.0043% (0.02   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        :   1909
      with multiple volume contributions     :    321
      eliminated by violation filter         :    152
 
    Peaks:
      selected                               :   2699
      without assignment                     :    176
      with assignment                        :   2523
      with unique assignment                 :   2132
      with multiple assignment               :    391
      with reference assignment              :   1605
      with identical reference assignment    :   1314
      with compatible reference assignment   :    273
      with incompatible reference assignment :      9
      with additional reference assignment   :      9
      with additional assignment             :    927
 
    Atoms with eliminated volume contribution > 2.5:
    QG2   VAL   18       3.7
    HA    HIS   22       3.0
    HE21  GLN   30       2.9
    QB    LYS+  33       2.7
    QD2   LEU   40       3.9
    QD    PHE   45       5.0
    HD2   PRO   52       2.9
    QG2   ILE   56       4.0
    QD1   ILE   56       4.2
    QD    PHE   59       4.7
    QD    PHE   60       5.7
    HN    LYS+  65       6.0
    HZ    PHE   72       2.7
    HA    LEU   73       2.9
    QB    ALA   84       3.9
    QD1   ILE   89       3.7
    QE    PHE   95       2.5
    HB3   MET   96       3.0
    HA    LYS+ 106       3.0
    QB    LYS+ 106       2.9
    QG1   VAL  107       3.9
    QG2   VAL  108       3.6
    QE    LYS+ 112       2.7
    HA    THR  118       4.9
    QD1   ILE  119       4.0
 
    Peak 2 (6.75, 6.75, 114.38 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   27 - HZ2   TRP   27  (1.00)  kept
 
    Peak 3 (7.49, 7.49, 115.54 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   49 - HZ2   TRP   49  (1.00)  kept
 
    Peak 4 (7.61, 7.61, 114.70 ppm):
    2 diagonal assignments:
    *     HZ2   TRP   87 - HZ2   TRP   87  (1.00)  kept
          HN    ILE   56 - HN    ILE   56  (0.01)  kept
 
    Peak 5 (7.18, 7.18, 125.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   49 - HH2   TRP   49  (1.00)  kept
 
    Peak 6 (7.23, 7.23, 124.80 ppm):
    1 diagonal assignment:
    *     HH2   TRP   87 - HH2   TRP   87  (1.00)  kept
 
    Peak 7 (7.71, 7.71, 120.66 ppm):
    1 diagonal assignment:
    *     HE3   TRP   87 - HE3   TRP   87  (1.00)  kept
 
    Peak 8 (6.38, 6.38, 129.17 ppm):
    1 diagonal assignment:
    *     HZ    PHE   45 - HZ    PHE   45  (1.00)  kept
 
    Peak 9 (6.69, 6.69, 132.41 ppm):
    1 diagonal assignment:
    *     QD    PHE   72 - QD    PHE   72  (1.00)  kept
 
    Peak 10 (6.68, 6.68, 130.18 ppm):
    1 diagonal assignment:
    *     QE    PHE   45 - QE    PHE   45  (1.00)  kept
 
    Peak 11 (6.71, 6.71, 127.90 ppm):
    1 diagonal assignment:
    *     HZ    PHE   72 - HZ    PHE   72  (1.00)  kept
 
    Peak 12 (6.88, 6.88, 128.47 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 13 (7.26, 7.26, 128.86 ppm):
    1 diagonal assignment:
    *     QE    PHE   59 - QE    PHE   59  (1.00)  kept
 
    Peak 14 (7.75, 7.75, 128.42 ppm):
    1 diagonal assignment:
    *     HD1   TRP   87 - HD1   TRP   87  (1.00)  kept
 
    Peak 15 (7.19, 7.19, 127.61 ppm):
    1 diagonal assignment:
    *     HD1   TRP   27 - HD1   TRP   27  (1.00)  kept
 
    Peak 16 (7.35, 7.35, 128.88 ppm):
    1 diagonal assignment:
    *     HD1   TRP   49 - HD1   TRP   49  (1.00)  kept
 
    Peak 17 (7.63, 7.63, 131.92 ppm):
    1 diagonal assignment:
    *     QE    PHE   60 - QE    PHE   60  (1.00)  kept
 
    Peak 18 (7.02, 7.02, 132.19 ppm):
    1 diagonal assignment:
    *     QD    PHE   95 - QD    PHE   95  (1.00)  kept
 
    Peak 19 (6.86, 6.86, 131.77 ppm):
    1 diagonal assignment:
    *     QD    PHE   45 - QD    PHE   45  (1.00)  kept
 
    Peak 20 (6.85, 6.85, 130.68 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 21 (6.99, 6.99, 130.46 ppm):
    1 diagonal assignment:
    *     QE    PHE   72 - QE    PHE   72  (1.00)  kept
 
    Peak 22 (8.33, 8.33, 138.33 ppm):
    1 diagonal assignment:
    *     HE1   HIS  122 - HE1   HIS  122  (1.00)  kept
 
    Peak 23 (8.58, 8.58, 136.90 ppm):
    1 diagonal assignment:
    *     HE1   HIS   22 - HE1   HIS   22  (1.00)  kept
 
    Peak 24 (6.83, 6.83, 120.22 ppm):
    1 diagonal assignment:
    *     HD2   HIS  122 - HD2   HIS  122  (1.00)  kept
 
    Peak 25 (7.11, 7.11, 121.95 ppm):
    1 diagonal assignment:
    *     HE3   TRP   49 - HE3   TRP   49  (1.00)  kept
 
    Peak 26 (7.36, 7.36, 120.68 ppm):
    1 diagonal assignment:
    *     HD2   HIS   22 - HD2   HIS   22  (1.00)  kept
 
    Peak 27 (7.12, 7.12, 119.95 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 28 (7.17, 7.17, 120.01 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 29 (7.31, 7.32, 120.14 ppm):
    1 diagonal assignment:
    *     HE3   TRP   27 - HE3   TRP   27  (0.76)  kept
 
    Peak 30 (7.13, 7.13, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   97 - QD    PHE   97  (1.00)  kept
 
    Peak 31 (7.32, 7.32, 132.31 ppm):
    1 diagonal assignment:
    *     QD    PHE   55 - QD    PHE   55  (1.00)  kept
 
    Peak 32 (7.29, 7.29, 132.36 ppm):
    1 diagonal assignment:
    *     QD    PHE   60 - QD    PHE   60  (1.00)  kept
 
    Peak 33 (7.33, 7.33, 130.29 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 34 (7.39, 7.39, 131.00 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 35 (7.38, 7.41, 131.81 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 36 (6.31, 6.31, 122.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   27 - HH2   TRP   27  (1.00)  kept
 
    Peak 37 (3.92, 7.29, 132.36 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.93, residual support = 70.2:
        T HA    PHE   60 - QD    PHE   60   2.80 +/- 0.34  99.864% * 98.1750% (0.87   3.93  70.18) = 100.000%  kept
          HB    THR   94 - QD    PHE   60   9.65 +/- 0.31   0.075% *  0.2802% (0.49   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    PHE   60  11.66 +/- 0.44   0.022% *  0.3725% (0.65   0.02   0.02) =   0.000%
        T QB    SER  117 - QD    PHE   60  13.02 +/- 0.26   0.012% *  0.5163% (0.90   0.02   0.02) =   0.000%
        T QB    SER   48 - QD    PHE   60  12.93 +/- 0.43   0.012% *  0.2161% (0.38   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   60  14.33 +/- 0.43   0.006% *  0.3260% (0.57   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   60  13.92 +/- 0.41   0.008% *  0.1139% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 38 (7.19, 7.19, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   59 - QD    PHE   59  (1.00)  kept
 
    Peak 40 (6.35, 6.35, 121.95 ppm):
    1 diagonal assignment:
    *     HZ3   TRP   27 - HZ3   TRP   27  (1.00)  kept
 
    Peak 43 (7.13, 7.13, 121.44 ppm):
    1 diagonal assignment:
    *     HZ3   TRP   87 - HZ3   TRP   87  (1.00)  kept
 
    Peak 44 (7.70, 7.13, 121.44 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 1.0, residual support = 65.7:
      O   HE3   TRP   87 - HZ3   TRP   87   2.49 +/- 0.00  99.856% * 92.9101% (0.69   1.00  65.68) =  99.997%  kept
          HN    TRP   87 - HZ3   TRP   87   7.47 +/- 0.08   0.138% *  1.6408% (0.61   0.02  65.68) =   0.002%
          HN    ALA   91 - HZ3   TRP   87  13.01 +/- 0.57   0.005% *  0.8349% (0.31   0.02   0.02) =   0.000%
          HD21  ASN   69 - HZ3   TRP   87  19.58 +/- 1.47   0.000% *  1.5315% (0.57   0.02   0.02) =   0.000%
          HN    GLN   17 - HZ3   TRP   87  20.24 +/- 0.55   0.000% *  2.0674% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HZ3   TRP   87  18.76 +/- 0.47   0.001% *  1.0153% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 45 (7.33, 7.33, 131.79 ppm):
    1 diagonal assignment:
    *     QE    PHE   95 - QE    PHE   95  (1.00)  kept
 
    Peak 46 (4.73, 8.58, 136.90 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 0.02, residual support = 0.02:
          HA    PRO   68 - HE1   HIS   22  19.15 +/- 0.42 100.000% *100.0000% (0.98   0.02   0.02) = 100.000%  kept
    Distance limit 5.50 A violated in 20 structures by 13.65 A, eliminated.
    Peak unassigned.
 
    Peak 47 (1.15, 8.58, 136.90 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 1.05, residual support = 5.26:
          QB    ALA   20 - HE1   HIS   22   3.48 +/- 0.02  99.987% * 93.0304% (0.76   1.05   5.26) = 100.000%  kept
          QG2   VAL  107 - HE1   HIS   22  17.96 +/- 0.92   0.006% *  2.1997% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   31 - HE1   HIS   22  18.65 +/- 0.53   0.004% *  0.5798% (0.25   0.02   0.02) =   0.000%
          HG13  ILE  103 - HE1   HIS   22  22.63 +/- 0.98   0.001% *  1.2234% (0.53   0.02   0.02) =   0.000%
          HG13  ILE  119 - HE1   HIS   22  23.64 +/- 0.87   0.001% *  0.6465% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HE1   HIS   22  29.19 +/- 0.77   0.000% *  2.3202% (1.00   0.02   0.02) =   0.000%
    Distance limit 5.05 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 = 0.249, support = 5.06, residual support = 44.3:
          HN    ASN   28 - HD1   TRP   27   3.34 +/- 0.48  97.795% * 96.7441% (0.25   5.07  44.31) =  99.965%  kept
          HN    GLU-  25 - HD1   TRP   27   6.38 +/- 0.59   2.136% *  1.5182% (0.99   0.02   0.02) =   0.034%
          HN    ASP-  44 - HD1   TRP   27  11.77 +/- 0.53   0.067% *  1.5014% (0.98   0.02   0.02) =   0.001%
          HN    ALA  110 - HD1   TRP   27  21.06 +/- 0.69   0.002% *  0.2363% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 49 (10.20, 7.19, 127.61 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.01, residual support = 97.8:
      O   HE1   TRP   27 - HD1   TRP   27   2.64 +/- 0.00 100.000% *100.0000% (0.92   2.01  97.78) = 100.000%  kept
    Distance limit 4.63 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 = 1.25, residual support = 97.8:
      O   HZ3   TRP   27 - HE3   TRP   27   2.49 +/- 0.00  99.998% * 99.7513% (0.89   1.25  97.78) = 100.000%  kept
          HZ3   TRP   27 - HN    LEU   67  14.63 +/- 0.34   0.002% *  0.2487% (0.14   0.02   0.02) =   0.000%
    Distance limit 5.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 51 (4.49, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.957, support = 3.5, residual support = 97.8:
          HA    TRP   27 - HE3   TRP   27   2.50 +/- 0.39  99.991% * 98.2689% (0.96   3.50  97.78) = 100.000%  kept
          HA    ALA   91 - HE3   TRP   27  17.35 +/- 0.77   0.002% *  0.5769% (0.98   0.02   0.02) =   0.000%
          HA    VAL  107 - HE3   TRP   27  17.37 +/- 0.44   0.001% *  0.5373% (0.91   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   67  16.63 +/- 0.37   0.002% *  0.0836% (0.14   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LEU   67  17.99 +/- 0.25   0.001% *  0.0874% (0.15   0.02   0.02) =   0.000%
          HA    ALA  110 - HE3   TRP   27  18.34 +/- 0.45   0.001% *  0.0898% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HE3   TRP   27  21.64 +/- 0.54   0.000% *  0.2184% (0.37   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   67  17.01 +/- 0.28   0.001% *  0.0140% (0.02   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   67  24.00 +/- 0.48   0.000% *  0.0898% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    LEU   67  20.79 +/- 0.24   0.000% *  0.0340% (0.06   0.02   0.02) =   0.000%
    Distance limit 5.21 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 = 4.14, residual support = 97.8:
      O   HB3   TRP   27 - HE3   TRP   27   2.78 +/- 0.17  99.933% * 91.3509% (0.17   4.14  97.78) = 100.000%  kept
          QE    LYS+  99 - HE3   TRP   27  13.83 +/- 0.83   0.008% *  2.1054% (0.83   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    LEU   67  10.95 +/- 0.36   0.029% *  0.3276% (0.13   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HE3   TRP   27  16.23 +/- 0.97   0.003% *  2.4325% (0.96   0.02   0.02) =   0.000%
          QE    LYS+  38 - HE3   TRP   27  16.82 +/- 0.77   0.002% *  2.4983% (0.98   0.02   0.02) =   0.000%
          HB2   PHE   97 - HE3   TRP   27  13.40 +/- 0.55   0.009% *  0.3889% (0.15   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    LEU   67  12.56 +/- 0.40   0.012% *  0.0605% (0.02   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU   67  18.49 +/- 0.86   0.001% *  0.3887% (0.15   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    LEU   67  20.13 +/- 0.37   0.001% *  0.3785% (0.15   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU   67  19.01 +/- 0.40   0.001% *  0.0687% (0.03   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.897, support = 1.5, residual support = 9.47:
          QG1   VAL   43 - HE3   TRP   27   4.17 +/- 0.70  47.413% * 74.5463% (0.99   1.50   9.03) =  87.002%  kept
          QD2   LEU   73 - HE3   TRP   27   4.57 +/- 0.31  24.913% * 20.7267% (0.28   1.50  12.74) =  12.711%  kept
          HG    LEU   31 - HE3   TRP   27   4.68 +/- 0.21  20.848% *  0.4086% (0.41   0.02  14.48) =   0.210%
          QG1   VAL   41 - HE3   TRP   27   7.34 +/- 0.68   1.447% *  0.9402% (0.94   0.02   0.02) =   0.033%
          QD1   ILE   19 - HE3   TRP   27   7.03 +/- 0.37   1.847% *  0.4838% (0.48   0.02   0.02) =   0.022%
          QG2   VAL   18 - HN    LEU   67   6.95 +/- 0.67   2.298% *  0.1428% (0.14   0.02   0.02) =   0.008%
          QG2   VAL   18 - HE3   TRP   27   9.57 +/- 0.37   0.296% *  0.9175% (0.91   0.02   0.02) =   0.007%
          QG2   THR   46 - HE3   TRP   27   9.75 +/- 0.61   0.290% *  0.8302% (0.83   0.02   0.02) =   0.006%
          QG1   VAL   43 - HN    LEU   67  11.17 +/- 0.58   0.114% *  0.1547% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    LEU   67  11.53 +/- 0.21   0.094% *  0.1463% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    LEU   67   9.69 +/- 0.10   0.263% *  0.0430% (0.04   0.02   0.02) =   0.000%
          QD2   LEU  104 - HE3   TRP   27  14.04 +/- 0.82   0.029% *  0.3390% (0.34   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    LEU   67  11.98 +/- 0.46   0.073% *  0.0753% (0.08   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU   67  14.46 +/- 0.83   0.026% *  0.1292% (0.13   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   67  13.36 +/- 0.78   0.044% *  0.0528% (0.05   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LEU   67  18.45 +/- 0.96   0.006% *  0.0636% (0.06   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.372, support = 4.65, residual support = 12.7:
          QD1   LEU   73 - HE3   TRP   27   2.11 +/- 0.33  98.123% * 94.9297% (0.37   4.65  12.74) =  99.984%  kept
          QD2   LEU   80 - HE3   TRP   27   5.55 +/- 0.87   1.270% *  0.8306% (0.76   0.02   6.04) =   0.011%
          QG1   VAL   83 - HE3   TRP   27   6.14 +/- 0.66   0.401% *  0.9747% (0.89   0.02   4.45) =   0.004%
          QD1   LEU   63 - HN    LEU   67   6.52 +/- 0.28   0.159% *  0.0635% (0.06   0.02   0.02) =   0.000%
          QG2   ILE   89 - HE3   TRP   27   9.64 +/- 0.50   0.020% *  0.3022% (0.28   0.02   0.02) =   0.000%
          QD1   LEU  104 - HE3   TRP   27  13.65 +/- 0.76   0.002% *  1.0281% (0.94   0.02   0.02) =   0.000%
          QD1   LEU   63 - HE3   TRP   27  12.25 +/- 0.66   0.004% *  0.4079% (0.37   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   67  10.75 +/- 0.73   0.010% *  0.1228% (0.11   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   67  11.78 +/- 1.02   0.006% *  0.1600% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HE3   TRP   27  17.36 +/- 0.55   0.000% *  0.7892% (0.72   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU   67  12.13 +/- 0.20   0.004% *  0.0635% (0.06   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   67  18.47 +/- 0.86   0.000% *  0.1292% (0.12   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU   67  19.37 +/- 0.75   0.000% *  0.1517% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU   67  16.44 +/- 0.31   0.001% *  0.0470% (0.04   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 55 (0.12, 7.32, 120.14 ppm):
    4 chemical-shift based assignments, quality = 0.72, support = 0.627, residual support = 1.5:
          QG2   VAL   75 - HE3   TRP   27   3.42 +/- 0.56  97.253% * 96.7383% (0.72   0.63   1.50) =  99.980%  kept
          QG2   VAL   42 - HE3   TRP   27   9.35 +/- 0.86   0.399% *  2.4068% (0.56   0.02   0.02) =   0.010%
          QG2   VAL   42 - HN    LEU   67   6.71 +/- 0.22   2.315% *  0.3745% (0.09   0.02   0.02) =   0.009%
          QG2   VAL   75 - HN    LEU   67  13.60 +/- 0.27   0.033% *  0.4803% (0.11   0.02   0.02) =   0.000%
    Distance limit 5.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 56 (3.48, 7.36, 120.68 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.51, residual support = 33.5:
      O T HB2   HIS   22 - HD2   HIS   22   3.73 +/- 0.09  99.993% * 99.3792% (0.92   2.51  33.47) = 100.000%  kept
          HA    LEU   63 - HD2   HIS   22  19.29 +/- 0.90   0.005% *  0.4511% (0.53   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HD2   HIS   22  23.53 +/- 1.46   0.002% *  0.1697% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.44 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 = 3.13, residual support = 33.5:
      O T HB3   HIS   22 - HD2   HIS   22   3.61 +/- 0.36  99.994% * 98.8704% (0.45   3.13  33.47) = 100.000%  kept
          HD3   ARG+  54 - HD2   HIS   22  19.21 +/- 1.87   0.006% *  1.1296% (0.80   0.02   0.02) =   0.000%
    Distance limit 5.31 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 = 0.886, support = 0.0192, residual support = 0.0192:
          QE    LYS+  74 - HD2   HIS   22   5.23 +/- 1.29  93.949% * 29.7119% (0.92   0.02   0.02) =  96.027%  kept
          HB3   ASP-  78 - HD2   HIS   22   9.93 +/- 1.04   3.244% * 19.5221% (0.61   0.02   0.02) =   2.179%
          QB    CYS   50 - HD2   HIS   22  11.18 +/- 1.24   1.582% * 28.8658% (0.90   0.02   0.02) =   1.571%
          HB2   PHE   72 - HD2   HIS   22  11.64 +/- 0.86   1.191% *  4.9662% (0.15   0.02   0.02) =   0.204%
          HB3   ASN   69 - HD2   HIS   22  21.77 +/- 0.38   0.033% * 16.9340% (0.53   0.02   0.02) =   0.019%
    Distance limit 5.50 A violated in 9 structures by 0.38 A, eliminated.
    Peak unassigned.
 
    Peak 59 (1.16, 7.36, 120.68 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 2.12, residual support = 5.26:
        T QB    ALA   20 - HD2   HIS   22   3.57 +/- 0.28  99.932% * 91.0359% (0.28   2.12   5.26) =  99.999%  kept
          QG2   VAL  107 - HD2   HIS   22  16.35 +/- 1.17   0.014% *  2.6813% (0.87   0.02   0.02) =   0.000%
          QG2   THR   94 - HD2   HIS   22  13.48 +/- 1.29   0.048% *  0.6117% (0.20   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   HIS   22  19.37 +/- 1.12   0.005% *  2.9831% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HD2   HIS   22  27.07 +/- 1.26   0.001% *  1.9997% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HD2   HIS   22  25.78 +/- 1.46   0.001% *  0.6882% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 60 (4.74, 7.36, 120.68 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HA    PRO   68 - HD2   HIS   22  18.31 +/- 0.46 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 5.50 A violated in 20 structures by 12.81 A, eliminated.
    Peak unassigned.
 
    Peak 61 (4.58, 7.36, 120.68 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 3.01, residual support = 6.57:
          HA    CYS   21 - HD2   HIS   22   3.89 +/- 0.13  99.775% * 97.2453% (0.95   3.01   6.57) =  99.999%  kept
          HA    CYS   50 - HD2   HIS   22  13.95 +/- 1.44   0.057% *  0.6460% (0.95   0.02   0.02) =   0.000%
          HA    ALA   47 - HD2   HIS   22  12.58 +/- 1.55   0.119% *  0.1899% (0.28   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   HIS   22  15.41 +/- 1.28   0.030% *  0.6829% (1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HD2   HIS   22  18.40 +/- 1.59   0.010% *  0.6590% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD2   HIS   22  23.02 +/- 0.91   0.002% *  0.4418% (0.65   0.02   0.02) =   0.000%
          HA    VAL  108 - HD2   HIS   22  19.77 +/- 1.77   0.007% *  0.1351% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 62 (4.13, 7.19, 127.61 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 3.23, residual support = 44.3:
          HA    ASN   28 - HD1   TRP   27   3.82 +/- 0.37  97.818% * 96.9007% (1.00   3.23  44.31) =  99.996%  kept
          HA    THR   26 - HD1   TRP   27   7.68 +/- 0.43   1.645% *  0.1673% (0.28   0.02  20.13) =   0.003%
          HA1   GLY  101 - HD1   TRP   27  12.12 +/- 1.78   0.144% *  0.4600% (0.76   0.02   0.02) =   0.001%
          HA    ALA   34 - HD1   TRP   27  12.80 +/- 0.44   0.077% *  0.5556% (0.92   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD1   TRP   27  10.55 +/- 0.52   0.286% *  0.1191% (0.20   0.02   0.02) =   0.000%
          HA    LEU  115 - HD1   TRP   27  21.95 +/- 0.53   0.003% *  0.5966% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD1   TRP   27  15.72 +/- 0.63   0.022% *  0.0815% (0.14   0.02   0.02) =   0.000%
          HA    ARG+  54 - HD1   TRP   27  24.16 +/- 0.66   0.002% *  0.4134% (0.69   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD1   TRP   27  24.65 +/- 0.62   0.002% *  0.3651% (0.61   0.02   0.02) =   0.000%
          HA    ALA  124 - HD1   TRP   27  30.05 +/- 0.91   0.000% *  0.3408% (0.57   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 63 (3.77, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 4.26, residual support = 24.6:
          HA    VAL   24 - HD1   TRP   27   3.39 +/- 0.53  99.982% * 99.4270% (1.00   4.26  24.59) = 100.000%  kept
          HA    LYS+  38 - HD1   TRP   27  15.73 +/- 0.70   0.014% *  0.3211% (0.69   0.02   0.02) =   0.000%
          HA    ALA   61 - HD1   TRP   27  20.16 +/- 0.39   0.003% *  0.0925% (0.20   0.02   0.02) =   0.000%
          HD2   PRO   68 - HD1   TRP   27  22.78 +/- 0.29   0.001% *  0.1594% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 64 (3.58, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.66, residual support = 97.8:
      O T HB2   TRP   27 - HD1   TRP   27   2.64 +/- 0.04  99.986% * 98.6712% (0.65   3.66  97.78) = 100.000%  kept
          HA    THR   77 - HD1   TRP   27  11.78 +/- 0.51   0.013% *  0.7891% (0.95   0.02   0.02) =   0.000%
          HD2   PRO   93 - HD1   TRP   27  19.88 +/- 0.68   0.001% *  0.5397% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 65 (2.98, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.09, residual support = 97.8:
      O T HB3   TRP   27 - HD1   TRP   27   3.70 +/- 0.09  99.948% * 98.2235% (0.73   4.09  97.78) = 100.000%  kept
          QE    LYS+ 106 - HD1   TRP   27  15.24 +/- 1.41   0.025% *  0.6601% (1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HD1   TRP   27  15.51 +/- 0.63   0.019% *  0.5056% (0.76   0.02   0.02) =   0.000%
          HB3   PHE   60 - HD1   TRP   27  17.90 +/- 0.51   0.008% *  0.6107% (0.92   0.02   0.02) =   0.000%
    Distance limit 5.44 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 = 0.764, support = 2.61, residual support = 24.6:
        T QG2   VAL   24 - HD1   TRP   27   2.67 +/- 0.34  91.417% * 98.0293% (0.76   2.61  24.59) =  99.971%  kept
          QG1   VAL   24 - HD1   TRP   27   4.73 +/- 0.78   8.580% *  0.3030% (0.31   0.02  24.59) =   0.029%
        T QG1   VAL  107 - HD1   TRP   27  16.87 +/- 0.50   0.002% *  0.6351% (0.65   0.02   0.02) =   0.000%
          HG    LEU   63 - HD1   TRP   27  20.21 +/- 1.21   0.001% *  0.5955% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD1   TRP   27  26.83 +/- 0.58   0.000% *  0.2186% (0.22   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HD1   TRP   27  27.25 +/- 0.66   0.000% *  0.2186% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.38 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 = 0.81, support = 3.36, residual support = 4.66:
          QG1   VAL   83 - HD1   TRP   27   3.18 +/- 0.50  83.031% * 52.3026% (0.80   3.45   4.45) =  86.676%  kept
          QD2   LEU   80 - HD1   TRP   27   4.62 +/- 0.48  14.328% * 46.5613% (0.87   2.83   6.04) =  13.315%  kept
          QD1   LEU   73 - HD1   TRP   27   5.87 +/- 0.24   2.549% *  0.1845% (0.49   0.02  12.74) =   0.009%
          QG2   ILE   89 - HD1   TRP   27  10.34 +/- 0.47   0.076% *  0.0750% (0.20   0.02   0.02) =   0.000%
          QD1   LEU  104 - HD1   TRP   27  15.08 +/- 0.55   0.008% *  0.3756% (0.99   0.02   0.02) =   0.000%
          QD1   LEU   63 - HD1   TRP   27  15.45 +/- 0.62   0.007% *  0.1845% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HD1   TRP   27  20.14 +/- 0.44   0.001% *  0.3165% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.98 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 = 0.941, support = 0.927, residual support = 6.63:
          QG2   VAL   83 - HD1   TRP   27   3.25 +/- 0.55  84.420% * 39.4030% (1.00   0.75   4.45) =  78.292%  kept
          QD2   LEU   31 - HD1   TRP   27   4.60 +/- 0.29  15.459% * 59.6546% (0.73   1.56  14.48) =  21.706%  kept
          QD1   ILE   89 - HD1   TRP   27   9.88 +/- 0.61   0.121% *  0.9423% (0.90   0.02   0.02) =   0.003%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 69 (6.73, 6.31, 122.21 ppm):
    2 chemical-shift based assignments, quality = 0.278, support = 1.09, residual support = 97.8:
      O T HZ2   TRP   27 - HH2   TRP   27   2.52 +/- 0.00  99.988% * 95.6459% (0.28   1.09  97.78) =  99.999%  kept
          HZ    PHE   72 - HH2   TRP   27  11.41 +/- 0.54   0.012% *  4.3541% (0.69   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 70 (6.75, 6.35, 121.95 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 1.82, residual support = 97.8:
      O   HZ2   TRP   27 - HZ3   TRP   27   4.30 +/- 0.00 100.000% *100.0000% (0.92   1.82  97.78) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 71 (7.32, 6.35, 121.95 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 1.25, residual support = 97.8:
      O   HE3   TRP   27 - HZ3   TRP   27   2.49 +/- 0.00  99.917% * 95.8359% (1.00   1.25  97.78) =  99.999%  kept
          HN    THR   23 - HZ3   TRP   27   8.68 +/- 0.60   0.063% *  0.9335% (0.61   0.02   1.64) =   0.001%
          QE    PHE   95 - HZ3   TRP   27  11.34 +/- 0.61   0.012% *  0.9956% (0.65   0.02   0.02) =   0.000%
          HN    LYS+  81 - HZ3   TRP   27  12.98 +/- 0.95   0.006% *  0.3426% (0.22   0.02   0.02) =   0.000%
          HN    LEU   67 - HZ3   TRP   27  14.63 +/- 0.34   0.002% *  0.3838% (0.25   0.02   0.02) =   0.000%
          QD    PHE   55 - HZ3   TRP   27  20.07 +/- 0.53   0.000% *  1.5086% (0.98   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 72 (0.76, 6.31, 122.21 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 1.42, residual support = 9.03:
        T QG1   VAL   43 - HH2   TRP   27   2.08 +/- 0.46  97.573% * 94.0439% (0.92   1.43   9.03) =  99.973%  kept
          QG1   VAL   41 - HH2   TRP   27   5.40 +/- 0.92   0.902% *  1.4263% (1.00   0.02   0.02) =   0.014%
          QD2   LEU   73 - HH2   TRP   27   5.35 +/- 0.46   0.839% *  0.6958% (0.49   0.02  12.74) =   0.006%
          HG    LEU   31 - HH2   TRP   27   5.44 +/- 0.42   0.608% *  0.9247% (0.65   0.02  14.48) =   0.006%
          QG2   VAL   18 - HH2   TRP   27  10.06 +/- 0.81   0.026% *  1.0380% (0.73   0.02   0.02) =   0.000%
          QG2   THR   46 - HH2   TRP   27  10.44 +/- 0.81   0.014% *  0.8670% (0.61   0.02   0.02) =   0.000%
          QD1   ILE   19 - HH2   TRP   27   9.47 +/- 0.42   0.026% *  0.3974% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  104 - HH2   TRP   27  10.83 +/- 0.93   0.011% *  0.2503% (0.18   0.02   0.02) =   0.000%
          QD1   ILE   56 - HH2   TRP   27  14.80 +/- 0.49   0.002% *  0.3564% (0.25   0.02   0.02) =   0.000%
    Distance limit 5.35 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 = 0.922, support = 2.96, residual support = 9.02:
        T QG1   VAL   43 - HZ3   TRP   27   2.38 +/- 0.79  84.861% * 97.0377% (0.92   2.96   9.03) =  99.931%  kept
          QD2   LEU   73 - HZ3   TRP   27   3.89 +/- 0.47  12.677% *  0.3461% (0.49   0.02  12.74) =   0.053%
          HG    LEU   31 - HZ3   TRP   27   5.38 +/- 0.56   1.366% *  0.4599% (0.65   0.02  14.48) =   0.008%
          QG1   VAL   41 - HZ3   TRP   27   6.11 +/- 0.94   0.739% *  0.7094% (1.00   0.02   0.02) =   0.006%
          QG2   VAL   18 - HZ3   TRP   27   8.74 +/- 0.61   0.102% *  0.5163% (0.73   0.02   0.02) =   0.001%
          QD1   ILE   19 - HZ3   TRP   27   7.61 +/- 0.50   0.192% *  0.1977% (0.28   0.02   0.02) =   0.000%
          QG2   THR   46 - HZ3   TRP   27   9.55 +/- 0.89   0.050% *  0.4312% (0.61   0.02   0.02) =   0.000%
          QD2   LEU  104 - HZ3   TRP   27  12.32 +/- 0.87   0.010% *  0.1245% (0.18   0.02   0.02) =   0.000%
          QD1   ILE   56 - HZ3   TRP   27  15.07 +/- 0.49   0.003% *  0.1773% (0.25   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.896, support = 1.84, residual support = 12.7:
        T QD1   LEU   73 - HZ3   TRP   27   2.27 +/- 0.29  87.482% * 95.6886% (0.90   1.84  12.74) =  99.952%  kept
          QG2   VAL   41 - HZ3   TRP   27   3.68 +/- 0.89  11.316% *  0.3223% (0.28   0.02   0.02) =   0.044%
          QD2   LEU   80 - HZ3   TRP   27   7.17 +/- 0.97   0.299% *  0.6098% (0.53   0.02   6.04) =   0.002%
          QD2   LEU   98 - HZ3   TRP   27   5.74 +/- 0.77   0.539% *  0.1788% (0.15   0.02   0.02) =   0.001%
          QD1   LEU   80 - HZ3   TRP   27   7.35 +/- 1.43   0.336% *  0.1788% (0.15   0.02   6.04) =   0.001%
        T QD1   LEU   63 - HZ3   TRP   27  10.41 +/- 0.67   0.014% *  1.0395% (0.90   0.02   0.02) =   0.000%
          QD2   LEU   63 - HZ3   TRP   27  11.70 +/- 0.81   0.007% *  0.9681% (0.84   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HZ3   TRP   27  11.87 +/- 0.90   0.006% *  0.3577% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  115 - HZ3   TRP   27  15.57 +/- 0.62   0.001% *  0.6562% (0.57   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 75 (0.08, 6.35, 121.95 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 1.82, residual support = 14.5:
        T QD2   LEU   31 - HZ3   TRP   27   3.25 +/- 0.36  94.871% * 97.3932% (0.76   1.82  14.48) =  99.923%  kept
          QG2   VAL   83 - HZ3   TRP   27   6.02 +/- 0.67   4.703% *  1.3945% (1.00   0.02   4.45) =   0.071%
          QD1   ILE   89 - HZ3   TRP   27   8.49 +/- 0.46   0.425% *  1.2123% (0.87   0.02   0.02) =   0.006%
    Distance limit 5.41 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 = 0.763, support = 1.83, residual support = 14.5:
          QD2   LEU   31 - HH2   TRP   27   3.21 +/- 0.34  92.916% * 97.3989% (0.76   1.83  14.48) =  99.893%  kept
          QG2   VAL   83 - HH2   TRP   27   5.70 +/- 0.71   6.211% *  1.3914% (1.00   0.02   4.45) =   0.095%
          QD1   ILE   89 - HH2   TRP   27   7.45 +/- 0.48   0.873% *  1.2096% (0.87   0.02   0.02) =   0.012%
    Distance limit 5.38 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 = 0.993, support = 1.83, residual support = 12.7:
          QD1   LEU   73 - HH2   TRP   27   3.91 +/- 0.28  26.283% * 95.8366% (1.00   1.84  12.74) =  99.571%  kept
          QG2   VAL   41 - HH2   TRP   27   3.04 +/- 0.77  72.251% *  0.1414% (0.14   0.02   0.02) =   0.404%
          QD2   LEU   80 - HH2   TRP   27   7.98 +/- 0.88   0.461% *  0.7984% (0.76   0.02   6.04) =   0.015%
          QG1   VAL   83 - HH2   TRP   27   7.35 +/- 0.68   0.830% *  0.1612% (0.15   0.02   4.45) =   0.005%
          QD1   LEU   63 - HH2   TRP   27  10.24 +/- 0.68   0.077% *  1.0424% (1.00   0.02   0.02) =   0.003%
          QD1   LEU  104 - HH2   TRP   27  10.61 +/- 0.84   0.051% *  0.5497% (0.53   0.02   0.02) =   0.001%
          QD2   LEU   63 - HH2   TRP   27  11.50 +/- 0.85   0.040% *  0.6337% (0.61   0.02   0.02) =   0.001%
          QD2   LEU  115 - HH2   TRP   27  15.16 +/- 0.58   0.007% *  0.8366% (0.80   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 1.09, residual support = 97.8:
      O T HH2   TRP   27 - HZ2   TRP   27   2.52 +/- 0.00 100.000% *100.0000% (0.99   1.09  97.78) = 100.000%  kept
    Distance limit 4.63 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 = 0.98, support = 0.75, residual support = 6.25:
          HZ2   TRP   87 - HZ2   TRP   27   2.42 +/- 0.29  99.942% * 94.8916% (0.98   0.75   6.25) =  99.999%  kept
          HD21  ASN   28 - HZ2   TRP   27   9.58 +/- 0.92   0.047% *  2.2393% (0.87   0.02  44.31) =   0.001%
          QE    PHE   60 - HZ2   TRP   27  11.93 +/- 0.65   0.009% *  1.7733% (0.69   0.02   0.02) =   0.000%
          HN    LEU   63 - HZ2   TRP   27  17.42 +/- 0.54   0.001% *  0.6437% (0.25   0.02   0.02) =   0.000%
          HN    ILE   56 - HZ2   TRP   27  20.04 +/- 0.49   0.000% *  0.4521% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 1.2, residual support = 97.8:
      O   HE1   TRP   27 - HZ2   TRP   27   2.85 +/- 0.00 100.000% *100.0000% (0.90   1.20  97.78) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (10.57, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.0, residual support = 6.25:
          HE1   TRP   87 - HZ2   TRP   27   3.44 +/- 0.54 100.000% *100.0000% (0.92   2.00   6.25) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 82 (0.05, 6.75, 114.38 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 3.72, residual support = 14.0:
        T QD2   LEU   31 - HZ2   TRP   27   3.22 +/- 0.19  82.909% * 66.0976% (0.49   4.00  14.48) =  90.438%  kept
        T QG2   VAL   43 - HZ2   TRP   27   4.47 +/- 0.58  17.091% * 33.9024% (0.90   1.11   9.03) =   9.562%  kept
    Distance limit 5.15 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 = 0.855, support = 1.72, residual support = 10.4:
        T QD1   ILE   89 - QD    PHE   45   2.97 +/- 0.15  96.307% * 42.5505% (0.90   1.80  10.92) =  95.390%  kept
          QG2   VAL   83 - QD    PHE   45   5.37 +/- 0.44   3.469% * 57.0678% (1.00   2.17   1.23) =   4.608%
          QD2   LEU   31 - QD    PHE   45   8.28 +/- 0.29   0.224% *  0.3818% (0.73   0.02   0.02) =   0.002%
    Distance limit 5.01 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 = 0.97, support = 2.69, residual support = 7.48:
          QD1   ILE   89 - QE    PHE   45   3.33 +/- 0.29  52.406% * 61.7158% (0.97   3.13  10.92) =  64.439%  kept
          QG2   VAL   83 - QE    PHE   45   3.41 +/- 0.47  46.921% * 38.0363% (0.98   1.90   1.23) =  35.558%  kept
          QD2   LEU   31 - QE    PHE   45   6.80 +/- 0.29   0.673% *  0.2480% (0.61   0.02   0.02) =   0.003%
    Distance limit 4.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 85 (0.44, 6.86, 131.77 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 2.96, residual support = 17.8:
        T QG1   VAL   75 - QD    PHE   45   2.17 +/- 0.12  99.987% * 99.3501% (1.00   2.96  17.77) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   45   9.76 +/- 0.28   0.013% *  0.6499% (0.97   0.02   0.02) =   0.000%
    Distance limit 5.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 86 (1.00, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 2.0, residual support = 17.8:
        T HB    VAL   75 - QD    PHE   45   3.23 +/- 0.20  99.181% * 97.4515% (0.99   2.00  17.77) =  99.996%  kept
          HG3   LYS+  74 - QD    PHE   45   8.43 +/- 0.30   0.340% *  0.3690% (0.38   0.02   0.02) =   0.001%
          QG2   ILE  103 - QD    PHE   45   9.16 +/- 0.28   0.203% *  0.4786% (0.49   0.02   0.02) =   0.001%
          QD2   LEU   40 - QD    PHE   45   9.86 +/- 0.24   0.131% *  0.6361% (0.65   0.02   0.02) =   0.001%
          QD1   LEU   67 - QD    PHE   45  10.62 +/- 0.22   0.085% *  0.5964% (0.61   0.02   0.02) =   0.001%
          QD1   ILE  119 - QD    PHE   45  12.57 +/- 0.22   0.030% *  0.3354% (0.34   0.02   0.02) =   0.000%
          HB2   LEU  104 - QD    PHE   45  12.65 +/- 0.35   0.030% *  0.1331% (0.14   0.02   0.02) =   0.000%
    Distance limit 5.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 87 (1.32, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 2.63, residual support = 10.4:
        T QG2   THR   77 - QD    PHE   45   2.65 +/- 0.24  97.491% * 94.6991% (0.65   2.63  10.42) =  99.989%  kept
          HB3   LEU   80 - QD    PHE   45   6.37 +/- 1.12   1.189% *  0.4178% (0.38   0.02   0.02) =   0.005%
          QB    ALA   88 - QD    PHE   45   7.25 +/- 0.33   0.260% *  1.0742% (0.97   0.02   0.02) =   0.003%
        T HB3   ASP-  44 - QD    PHE   45   5.79 +/- 0.15   1.014% *  0.2203% (0.20   0.02  12.79) =   0.002%
          HG2   LYS+ 111 - QD    PHE   45  12.29 +/- 0.29   0.011% *  0.6751% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    PHE   45  10.96 +/- 0.45   0.023% *  0.3095% (0.28   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    PHE   45  12.55 +/- 0.45   0.010% *  0.5856% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    PHE   45  15.99 +/- 0.22   0.002% *  0.9655% (0.87   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    PHE   45  19.61 +/- 0.41   0.001% *  1.0529% (0.95   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 88 (1.20, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.77, support = 0.75, residual support = 26.2:
          QG2   THR   94 - QD    PHE   45   3.44 +/- 0.45  84.987% * 67.1270% (0.80   0.75  27.20) =  93.659%  kept
          HG12  ILE   89 - QD    PHE   45   4.73 +/- 0.28  14.923% * 25.8744% (0.31   0.75  10.92) =   6.339%  kept
          HB3   LEU   71 - QD    PHE   45  13.59 +/- 0.59   0.029% *  2.2157% (0.99   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - QD    PHE   45  12.58 +/- 0.29   0.042% *  0.8390% (0.38   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QD    PHE   45  16.24 +/- 0.28   0.009% *  2.2355% (1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD    PHE   45  15.94 +/- 0.29   0.010% *  1.7084% (0.76   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 89 (0.45, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 2.31, residual support = 17.8:
        T QG1   VAL   75 - QE    PHE   45   1.96 +/- 0.27  99.996% * 99.3041% (0.90   2.31  17.77) = 100.000%  kept
          QD1   LEU  115 - QE    PHE   45  11.33 +/- 0.29   0.004% *  0.6959% (0.73   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 90 (1.75, 6.68, 130.18 ppm):
    6 chemical-shift based assignments, quality = 0.588, support = 0.727, residual support = 10.6:
          HB    ILE   89 - QE    PHE   45   3.50 +/- 0.50  34.324% * 94.4406% (0.61   0.75  10.92) =  96.942%  kept
          HB    VAL   43 - QE    PHE   45   3.07 +/- 0.55  65.455% *  1.5584% (0.38   0.02   0.02) =   3.050%
          QD    LYS+  81 - QE    PHE   45   8.55 +/- 0.40   0.158% *  1.2816% (0.31   0.02   0.02) =   0.006%
          QG1   ILE   56 - QE    PHE   45  10.56 +/- 0.27   0.042% *  0.6407% (0.15   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QE    PHE   45  13.18 +/- 0.36   0.012% *  0.9244% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QE    PHE   45  13.72 +/- 0.51   0.009% *  1.1545% (0.28   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 91 (1.95, 6.68, 130.18 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 2.0, residual support = 9.79:
          HB3   MET   96 - QE    PHE   45   3.13 +/- 0.28  99.924% * 93.6219% (0.45   2.00   9.79) =  99.999%  kept
          HB    VAL   18 - QE    PHE   45  11.92 +/- 0.53   0.039% *  1.4344% (0.69   0.02   0.02) =   0.001%
          HB2   LEU   40 - QE    PHE   45  13.70 +/- 0.33   0.016% *  1.7442% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   67 - QE    PHE   45  13.91 +/- 0.35   0.014% *  0.8585% (0.41   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QE    PHE   45  16.57 +/- 0.26   0.005% *  1.9277% (0.92   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QE    PHE   45  19.59 +/- 1.26   0.002% *  0.4133% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 92 (2.24, 6.68, 130.18 ppm):
    10 chemical-shift based assignments, quality = 0.222, support = 1.97, residual support = 9.78:
        T HB2   MET   96 - QE    PHE   45   3.45 +/- 0.20  93.379% * 80.8027% (0.22   1.97   9.79) =  99.904%  kept
          QG    GLN   90 - QE    PHE   45   6.10 +/- 1.24   5.530% *  0.8192% (0.22   0.02   0.02) =   0.060%
          HB3   ASP-  76 - QE    PHE   45   7.82 +/- 0.25   0.766% *  2.6719% (0.73   0.02   0.02) =   0.027%
          HG3   MET   92 - QE    PHE   45  11.96 +/- 0.59   0.064% *  3.5510% (0.97   0.02   0.02) =   0.003%
          HB2   ASP- 105 - QE    PHE   45  11.80 +/- 0.33   0.061% *  3.3967% (0.92   0.02   0.02) =   0.003%
        T HB3   PHE   72 - QE    PHE   45  10.23 +/- 0.78   0.152% *  0.6444% (0.18   0.02   0.02) =   0.001%
          HB2   GLU-  29 - QE    PHE   45  13.90 +/- 0.55   0.023% *  3.2999% (0.90   0.02   0.02) =   0.001%
          HG12  ILE  119 - QE    PHE   45  15.54 +/- 0.53   0.012% *  1.9359% (0.53   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   45  16.72 +/- 0.48   0.007% *  2.3803% (0.65   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   45  17.42 +/- 0.98   0.006% *  0.4980% (0.14   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 93 (6.37, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 1.0, residual support = 77.2:
      O T HZ    PHE   45 - QE    PHE   45   2.18 +/- 0.00  99.606% * 97.4552% (0.53   1.00  77.25) =  99.990%  kept
          HZ3   TRP   27 - QE    PHE   45   5.80 +/- 0.68   0.394% *  2.5448% (0.69   0.02   0.02) =   0.010%
    Distance limit 4.64 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 = 3.22, residual support = 77.3:
      O   QD    PHE   45 - QE    PHE   45   2.23 +/- 0.00  99.998% * 98.1511% (0.65   3.22  77.25) = 100.000%  kept
          HD2   HIS  122 - QE    PHE   45  15.16 +/- 0.35   0.001% *  0.8451% (0.90   0.02   0.02) =   0.000%
          HE22  GLN  116 - QE    PHE   45  19.76 +/- 0.81   0.000% *  0.8174% (0.87   0.02   0.02) =   0.000%
          HE22  GLN   17 - QE    PHE   45  18.82 +/- 1.13   0.000% *  0.1865% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 95 (1.94, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 2.0, residual support = 9.79:
          HB3   MET   96 - QD    PHE   45   3.87 +/- 0.25  99.665% * 96.5080% (0.80   2.00   9.79) =  99.998%  kept
          HB    VAL   18 - QD    PHE   45  11.22 +/- 0.46   0.187% *  0.4111% (0.34   0.02   0.02) =   0.001%
          HB2   LEU   40 - QD    PHE   45  14.32 +/- 0.31   0.041% *  1.2052% (1.00   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QD    PHE   45  14.37 +/- 0.27   0.041% *  0.7310% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD    PHE   45  13.56 +/- 0.31   0.057% *  0.1860% (0.15   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD    PHE   45  19.95 +/- 1.23   0.006% *  0.5867% (0.49   0.02   0.02) =   0.000%
          HG3   MET   11 - QD    PHE   45  27.00 +/- 2.99   0.001% *  0.3720% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 96 (2.22, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.87, support = 1.95, residual support = 9.27:
          HB2   MET   96 - QD    PHE   45   4.58 +/- 0.12  88.864% * 63.5254% (0.87   2.00   9.79) =  94.624%  kept
          HB3   ASP-  76 - QD    PHE   45   6.70 +/- 0.22   9.418% * 33.9968% (0.92   1.01   0.02) =   5.367%  kept
          HG3   MET   92 - QD    PHE   45  10.05 +/- 0.61   0.940% *  0.2498% (0.34   0.02   0.02) =   0.004%
          HB2   ASP- 105 - QD    PHE   45  11.60 +/- 0.32   0.349% *  0.5318% (0.73   0.02   0.02) =   0.003%
          HB    VAL   70 - QD    PHE   45  13.26 +/- 0.39   0.155% *  0.3283% (0.45   0.02   0.02) =   0.001%
          QG    GLN   17 - QD    PHE   45  14.45 +/- 0.61   0.094% *  0.2749% (0.38   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    PHE   45  14.43 +/- 0.46   0.094% *  0.2036% (0.28   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QD    PHE   45  18.13 +/- 0.45   0.024% *  0.7068% (0.97   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD    PHE   45  15.43 +/- 0.53   0.063% *  0.1826% (0.25   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 97 (2.43, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.62, residual support = 77.3:
      O T HB3   PHE   45 - QD    PHE   45   2.33 +/- 0.02  99.915% * 98.1646% (0.80   4.62  77.25) = 100.000%  kept
          HB    VAL  107 - QD    PHE   45   8.08 +/- 0.25   0.059% *  0.1993% (0.38   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QD    PHE   45   9.75 +/- 0.41   0.019% *  0.4606% (0.87   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QD    PHE   45  12.70 +/- 0.28   0.004% *  0.4252% (0.80   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QD    PHE   45  16.62 +/- 0.60   0.001% *  0.5124% (0.97   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QD    PHE   45  14.69 +/- 0.39   0.002% *  0.2380% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.90 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 = 3.92, residual support = 77.3:
      O T HB2   PHE   45 - QD    PHE   45   2.49 +/- 0.03  99.909% * 99.2000% (0.97   3.92  77.25) = 100.000%  kept
          HB2   CYS   21 - QD    PHE   45   8.11 +/- 0.27   0.086% *  0.2762% (0.53   0.02   0.02) =   0.000%
          QE    LYS+ 111 - QD    PHE   45  12.99 +/- 0.29   0.005% *  0.5238% (1.00   0.02   0.02) =   0.000%
    Distance limit 5.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 99 (3.95, 6.86, 131.77 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.96, residual support = 27.2:
          HB    THR   94 - QD    PHE   45   3.59 +/- 0.30  97.629% * 93.8952% (0.69   2.96  27.20) =  99.986%  kept
          QB    SER   85 - QD    PHE   45   8.11 +/- 0.33   0.833% *  0.8745% (0.95   0.02   0.02) =   0.008%
          QB    SER   48 - QD    PHE   45   8.74 +/- 0.37   0.528% *  0.7403% (0.80   0.02   0.02) =   0.004%
          HA    ALA   88 - QD    PHE   45   8.26 +/- 0.24   0.735% *  0.1426% (0.15   0.02   0.02) =   0.001%
          HD2   PRO   52 - QD    PHE   45  10.50 +/- 0.17   0.167% *  0.2853% (0.31   0.02   0.02) =   0.001%
          HA2   GLY   51 - QD    PHE   45  13.56 +/- 0.15   0.036% *  0.4864% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD    PHE   45  16.12 +/- 0.32   0.013% *  0.8291% (0.90   0.02   0.02) =   0.000%
          QB    SER  117 - QD    PHE   45  14.35 +/- 0.28   0.026% *  0.2570% (0.28   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    PHE   45  18.25 +/- 0.46   0.006% *  0.8745% (0.95   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   45  18.81 +/- 0.32   0.005% *  0.8922% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   45  17.69 +/- 0.37   0.007% *  0.5607% (0.61   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    PHE   45  16.06 +/- 0.42   0.014% *  0.1619% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 100 (4.31, 6.86, 131.77 ppm):
    10 chemical-shift based assignments, quality = 0.341, support = 3.8, residual support = 12.8:
          HA    ASP-  44 - QD    PHE   45   3.55 +/- 0.15  86.114% * 92.7653% (0.34   3.81  12.79) =  99.931%  kept
          HB    THR   77 - QD    PHE   45   5.03 +/- 0.24  11.596% *  0.3974% (0.28   0.02  10.42) =   0.058%
          HA    SER   85 - QD    PHE   45   7.83 +/- 0.42   0.796% *  0.3974% (0.28   0.02   0.02) =   0.004%
          HA    ASP-  86 - QD    PHE   45   9.85 +/- 0.32   0.195% *  1.4009% (0.98   0.02   0.02) =   0.003%
          HA    TRP   87 - QD    PHE   45   7.30 +/- 0.28   1.183% *  0.2205% (0.15   0.02   0.02) =   0.003%
          HA    LEU  104 - QD    PHE   45  14.10 +/- 0.20   0.022% *  1.1938% (0.84   0.02   0.02) =   0.000%
          HA    ILE  103 - QD    PHE   45  11.21 +/- 0.21   0.088% *  0.2828% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   45  19.95 +/- 1.03   0.003% *  1.4261% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   45  24.72 +/- 1.87   0.001% *  1.3793% (0.97   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   45  27.05 +/- 3.39   0.001% *  0.5364% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 101 (4.88, 6.86, 131.77 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.62, residual support = 77.3:
          HA    PHE   45 - QD    PHE   45   3.12 +/- 0.03  99.534% * 96.5616% (0.25   4.62  77.25) =  99.997%  kept
          HA    MET   92 - QD    PHE   45   8.26 +/- 0.66   0.396% *  0.4182% (0.25   0.02   0.02) =   0.002%
          HA    VAL   41 - QD    PHE   45  10.59 +/- 0.15   0.066% *  1.3430% (0.80   0.02   0.02) =   0.001%
          HA    HIS  122 - QD    PHE   45  16.87 +/- 0.40   0.004% *  1.6772% (1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 4.92, residual support = 77.3:
          HN    PHE   45 - QD    PHE   45   2.05 +/- 0.12  99.330% * 98.5507% (0.45   4.92  77.25) =  99.997%  kept
          HN    ASP-  44 - QD    PHE   45   4.78 +/- 0.14   0.659% *  0.4006% (0.45   0.02  12.79) =   0.003%
          HN    ALA  110 - QD    PHE   45   9.70 +/- 0.29   0.010% *  0.6138% (0.69   0.02   0.02) =   0.000%
          HN    GLU-  25 - QD    PHE   45  12.62 +/- 0.34   0.002% *  0.4349% (0.49   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 77.3:
      O   QE    PHE   45 - HZ    PHE   45   2.18 +/- 0.00  99.995% * 97.6566% (0.98   1.00  77.25) = 100.000%  kept
          QD    PHE   72 - HZ    PHE   45  11.29 +/- 0.30   0.005% *  1.7284% (0.87   0.02   0.02) =   0.000%
          HD22  ASN   69 - HZ    PHE   45  20.40 +/- 1.27   0.000% *  0.6150% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.20 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 = 0.409, support = 4.75, residual support = 80.0:
          HN    TRP   49 - HD1   TRP   49   1.74 +/- 0.09  96.953% * 34.3759% (0.38   4.83  84.72) =  94.358%  kept
          HN    CYS   50 - HD1   TRP   49   3.19 +/- 0.35   3.047% * 65.3940% (0.98   3.52   1.83) =   5.642%  kept
          HN    VAL   83 - HD1   TRP   49  16.20 +/- 0.39   0.000% *  0.2301% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.93 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 = 2.17, residual support = 84.7:
      O   HE1   TRP   49 - HD1   TRP   49   2.64 +/- 0.00 100.000% *100.0000% (0.84   2.17  84.72) = 100.000%  kept
    Distance limit 4.57 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 = 84.7:
      O   HH2   TRP   49 - HZ2   TRP   49   2.52 +/- 0.00  99.999% * 98.0741% (0.41   1.00  84.72) = 100.000%  kept
          QD    PHE   97 - HZ2   TRP   49  17.73 +/- 0.38   0.001% *  0.7362% (0.15   0.02   0.02) =   0.000%
          HE21  GLN   30 - HZ2   TRP   49  25.05 +/- 1.00   0.000% *  1.1897% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.59 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 = 84.7:
      O   HE1   TRP   49 - HZ2   TRP   49   2.85 +/- 0.00 100.000% *100.0000% (0.53   1.00  84.72) = 100.000%  kept
    Distance limit 5.50 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 = 84.7:
      O   HZ2   TRP   49 - HH2   TRP   49   2.52 +/- 0.00 100.000% * 98.7227% (1.00   1.00  84.72) = 100.000%  kept
          HN    LYS+ 121 - HH2   TRP   49  23.57 +/- 0.40   0.000% *  1.2773% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 0.927, support = 1.09, residual support = 5.18:
          QG2   VAL   83 - HZ    PHE   45   3.24 +/- 0.47  75.865% * 30.5144% (0.99   0.65   1.23) =  59.229%  kept
          QD1   ILE   89 - HZ    PHE   45   4.15 +/- 0.32  23.176% * 68.7265% (0.84   1.74  10.92) =  40.752%  kept
          QD2   LEU   31 - HZ    PHE   45   6.96 +/- 0.37   0.959% *  0.7591% (0.80   0.02   0.02) =   0.019%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 111 (3.70, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 4.51, residual support = 84.7:
      O T HB2   TRP   49 - HD1   TRP   49   3.93 +/- 0.00  99.680% * 98.0543% (0.65   4.51  84.72) =  99.999%  kept
          HA2   GLY  109 - HD1   TRP   49  11.63 +/- 0.50   0.152% *  0.1870% (0.28   0.02   0.02) =   0.000%
          HA    VAL   75 - HD1   TRP   49  13.26 +/- 0.40   0.069% *  0.3807% (0.57   0.02   0.02) =   0.000%
          HA    ALA   84 - HD1   TRP   49  13.55 +/- 0.43   0.060% *  0.3015% (0.45   0.02   0.02) =   0.000%
          HD3   PRO   58 - HD1   TRP   49  14.82 +/- 0.24   0.035% *  0.2075% (0.31   0.02   0.02) =   0.000%
          HA    ILE  119 - HD1   TRP   49  22.96 +/- 0.31   0.002% *  0.4883% (0.73   0.02   0.02) =   0.000%
          HA    THR  118 - HD1   TRP   49  23.81 +/- 0.30   0.002% *  0.3807% (0.57   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 4.51, residual support = 84.7:
      O T HB3   TRP   49 - HD1   TRP   49   3.03 +/- 0.02  99.996% * 99.6421% (0.90   4.51  84.72) = 100.000%  kept
          HB3   PHE   59 - HD1   TRP   49  16.48 +/- 0.70   0.004% *  0.3579% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 113 (0.38, 7.35, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 3.74, residual support = 16.9:
          QB    ALA   47 - HD1   TRP   49   2.20 +/- 0.30  99.998% * 99.0166% (0.84   3.74  16.92) = 100.000%  kept
          QG1   VAL   42 - HD1   TRP   49  16.06 +/- 0.28   0.001% *  0.4608% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HD1   TRP   49  16.04 +/- 0.39   0.001% *  0.2381% (0.38   0.02   0.02) =   0.000%
          QB    ALA   64 - HD1   TRP   49  16.73 +/- 0.42   0.001% *  0.2845% (0.45   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.867, support = 0.75, residual support = 3.5:
          HB3   PRO   52 - HZ2   TRP   49   4.01 +/- 0.04  99.219% * 82.8881% (0.87   0.75   3.50) =  99.986%  kept
          HG2   ARG+  54 - HZ2   TRP   49   9.97 +/- 0.33   0.427% *  1.7504% (0.69   0.02   0.02) =   0.009%
          HB3   GLN   90 - HZ2   TRP   49  10.95 +/- 0.61   0.259% *  1.1424% (0.45   0.02   0.02) =   0.004%
          QB    LYS+  81 - HZ2   TRP   49  14.56 +/- 0.75   0.049% *  0.9564% (0.38   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HZ2   TRP   49  15.89 +/- 0.42   0.026% *  0.8692% (0.34   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   49  21.03 +/- 0.75   0.005% *  1.6484% (0.65   0.02   0.02) =   0.000%
          HG12  ILE  103 - HZ2   TRP   49  22.75 +/- 0.42   0.003% *  1.5455% (0.61   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   49  23.69 +/- 0.42   0.002% *  1.8503% (0.73   0.02   0.02) =   0.000%
        T HG    LEU  123 - HZ2   TRP   49  25.52 +/- 0.59   0.001% *  2.2103% (0.87   0.02   0.02) =   0.000%
          QB    LYS+  66 - HZ2   TRP   49  21.29 +/- 0.42   0.004% *  0.7085% (0.28   0.02   0.02) =   0.000%
          HB    VAL   41 - HZ2   TRP   49  24.00 +/- 0.57   0.002% *  1.1424% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   49  27.20 +/- 0.37   0.001% *  1.3406% (0.53   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   49  29.88 +/- 0.34   0.001% *  1.9474% (0.76   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 119 (0.38, 7.49, 115.54 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 2.16, residual support = 16.9:
          QB    ALA   47 - HZ2   TRP   49   3.98 +/- 0.09  99.845% * 98.1220% (0.69   2.16  16.92) =  99.999%  kept
          HG2   LYS+ 112 - HZ2   TRP   49  12.43 +/- 0.57   0.113% *  0.3293% (0.25   0.02   0.02) =   0.000%
          QG1   VAL   42 - HZ2   TRP   49  15.84 +/- 0.24   0.026% *  0.7477% (0.57   0.02   0.02) =   0.000%
          QB    ALA   64 - HZ2   TRP   49  17.00 +/- 0.39   0.017% *  0.8010% (0.61   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.34, support = 0.749, residual support = 3.49:
          HG2   PRO   52 - HH2   TRP   49   2.89 +/- 0.05  97.370% * 73.0242% (0.34   0.75   3.50) =  99.817%  kept
          HG2   MET   92 - HH2   TRP   49   5.49 +/- 0.68   2.616% *  4.9520% (0.87   0.02   0.02) =   0.182%
          QG    GLU- 114 - HH2   TRP   49  13.84 +/- 0.64   0.009% *  4.5712% (0.80   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HH2   TRP   49  17.89 +/- 0.54   0.002% *  4.1454% (0.73   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HH2   TRP   49  16.04 +/- 0.44   0.003% *  0.9998% (0.18   0.02   0.02) =   0.000%
          QG    GLU-  15 - HH2   TRP   49  27.86 +/- 0.88   0.000% *  1.4235% (0.25   0.02   0.02) =   0.000%
          QB    MET   11 - HH2   TRP   49  35.75 +/- 3.39   0.000% *  3.9214% (0.69   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HH2   TRP   49  37.45 +/- 0.53   0.000% *  4.9520% (0.87   0.02   0.02) =   0.000%
          QG    GLU-  14 - HH2   TRP   49  28.92 +/- 1.18   0.000% *  0.8808% (0.15   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HH2   TRP   49  31.22 +/- 0.60   0.000% *  1.1298% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 121 (1.84, 7.18, 125.21 ppm):
    13 chemical-shift based assignments, quality = 0.867, support = 2.0, residual support = 3.5:
          HB3   PRO   52 - HH2   TRP   49   3.33 +/- 0.10  99.694% * 92.8146% (0.87   2.00   3.50) =  99.998%  kept
          HG2   ARG+  54 - HH2   TRP   49   9.01 +/- 0.43   0.261% *  0.7350% (0.69   0.02   0.02) =   0.002%
          HB3   GLN   90 - HH2   TRP   49  13.39 +/- 0.75   0.028% *  0.4797% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  81 - HH2   TRP   49  16.70 +/- 0.74   0.007% *  0.4016% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HH2   TRP   49  17.28 +/- 0.38   0.005% *  0.3650% (0.34   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HH2   TRP   49  22.15 +/- 0.71   0.001% *  0.6922% (0.65   0.02   0.02) =   0.000%
          HG    LEU  123 - HH2   TRP   49  25.33 +/- 0.60   0.001% *  0.9281% (0.87   0.02   0.02) =   0.000%
          QB    LYS+  66 - HH2   TRP   49  21.47 +/- 0.38   0.001% *  0.2975% (0.28   0.02   0.02) =   0.000%
          HG12  ILE  103 - HH2   TRP   49  24.58 +/- 0.38   0.001% *  0.6490% (0.61   0.02   0.02) =   0.000%
          HB    ILE  103 - HH2   TRP   49  25.43 +/- 0.40   0.001% *  0.7770% (0.73   0.02   0.02) =   0.000%
          HB    VAL   41 - HH2   TRP   49  25.65 +/- 0.49   0.000% *  0.4797% (0.45   0.02   0.02) =   0.000%
          HG3   PRO   68 - HH2   TRP   49  30.34 +/- 0.31   0.000% *  0.8177% (0.76   0.02   0.02) =   0.000%
          QB    LYS+  33 - HH2   TRP   49  28.70 +/- 0.34   0.000% *  0.5629% (0.53   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.249, support = 2.35, residual support = 19.7:
      O   QB    PHE   55 - QD    PHE   55   2.14 +/- 0.01  99.695% * 94.2639% (0.25   2.35  19.68) =  99.994%  kept
          HD2   ARG+  54 - QD    PHE   55   6.25 +/- 0.79   0.242% *  1.9519% (0.61   0.02   1.96) =   0.005%
          HB3   CYS   53 - QD    PHE   55   8.39 +/- 0.53   0.032% *  1.6931% (0.53   0.02   0.02) =   0.001%
          HD3   PRO   93 - QD    PHE   55   8.30 +/- 0.42   0.031% *  1.0977% (0.34   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   55  19.33 +/- 0.47   0.000% *  0.9933% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.92 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 = 0.835, support = 1.72, residual support = 19.7:
          HA    PHE   55 - QD    PHE   55   2.73 +/- 0.28  99.404% * 96.2702% (0.84   1.72  19.68) =  99.992%  kept
          HA    ALA  110 - QD    PHE   55   6.63 +/- 0.61   0.572% *  1.3406% (1.00   0.02   0.47) =   0.008%
          HA    VAL  107 - QD    PHE   55  12.78 +/- 0.65   0.011% *  0.4583% (0.34   0.02   0.02) =   0.000%
          HA    GLN   90 - QD    PHE   55  16.33 +/- 0.52   0.003% *  1.2967% (0.97   0.02   0.02) =   0.000%
          HA    ALA   91 - QD    PHE   55  13.62 +/- 0.62   0.009% *  0.2991% (0.22   0.02   0.02) =   0.000%
          HA    VAL   42 - QD    PHE   55  17.44 +/- 0.44   0.002% *  0.3350% (0.25   0.02   0.02) =   0.000%
    Distance limit 5.47 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 = 0.8, support = 0.473, residual support = 0.473:
          QB    ALA  110 - QD    PHE   55   4.51 +/- 0.45  95.276% * 71.7268% (0.80   0.47   0.47) =  99.858%  kept
          QB    ALA   61 - QD    PHE   55   9.24 +/- 0.23   1.502% *  3.6470% (0.97   0.02   0.02) =   0.080%
          HB3   LEU  115 - QD    PHE   55   8.24 +/- 0.86   2.867% *  1.1664% (0.31   0.02   0.02) =   0.049%
        T QG    LYS+  66 - QD    PHE   55  13.34 +/- 0.71   0.174% *  3.5748% (0.95   0.02   0.02) =   0.009%
          HB3   LEU   67 - QD    PHE   55  18.22 +/- 0.99   0.025% *  3.7790% (1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QD    PHE   55  20.35 +/- 0.49   0.013% *  3.0260% (0.80   0.02   0.02) =   0.001%
        T HG    LEU   67 - QD    PHE   55  17.68 +/- 1.06   0.035% *  0.8413% (0.22   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    PHE   55  21.93 +/- 0.98   0.008% *  3.1565% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    PHE   55  17.32 +/- 0.44   0.037% *  0.6618% (0.18   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    PHE   55  22.16 +/- 0.36   0.008% *  2.7441% (0.73   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    PHE   55  17.82 +/- 0.74   0.028% *  0.7479% (0.20   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    PHE   55  20.36 +/- 0.85   0.013% *  1.1664% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    PHE   55  21.69 +/- 0.98   0.009% *  1.1664% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    PHE   55  26.50 +/- 1.51   0.003% *  2.5958% (0.69   0.02   0.02) =   0.000%
    Distance limit 5.35 A violated in 1 structures by 0.01 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 125 (0.58, 7.32, 132.31 ppm):
    7 chemical-shift based assignments, quality = 0.853, support = 0.0194, residual support = 0.0194:
          QD2   LEU  115 - QD    PHE   55   6.30 +/- 0.75  88.681% * 17.2492% (0.87   0.02   0.02) =  89.244%  kept
          QD1   LEU   63 - QD    PHE   55   9.84 +/- 0.49   6.801% * 19.8413% (1.00   0.02   0.02) =   7.873%  kept
          QD2   LEU   63 - QD    PHE   55  11.01 +/- 0.95   3.940% * 10.4622% (0.53   0.02   0.02) =   2.405%
          QD1   LEU   73 - QD    PHE   55  18.06 +/- 0.26   0.188% * 19.8413% (1.00   0.02   0.02) =   0.217%
        T QD2   LEU   80 - QD    PHE   55  19.05 +/- 0.73   0.143% * 16.6097% (0.84   0.02   0.02) =   0.138%
          QD1   LEU  104 - QD    PHE   55  18.96 +/- 0.36   0.138% * 12.0611% (0.61   0.02   0.02) =   0.097%
          QG1   VAL   83 - QD    PHE   55  19.91 +/- 0.88   0.110% *  3.9353% (0.20   0.02   0.02) =   0.025%
    Distance limit 5.50 A violated in 15 structures by 0.73 A, eliminated.
    Peak unassigned.
 
    Peak 126 (3.16, 7.33, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 0.02, residual support = 0.02:
          HB3   PHE   59 - QE    PHE   95   4.37 +/- 0.41  99.914% * 72.5341% (0.99   0.02   0.02) =  99.967%  kept
          HB3   TRP   49 - QE    PHE   95  14.52 +/- 0.30   0.086% * 27.4659% (0.38   0.02   0.02) =   0.033%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 128 (2.43, 7.33, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.277, support = 2.84, residual support = 50.2:
          HB    VAL  107 - QE    PHE   95   4.43 +/- 0.05  75.098% * 90.6870% (0.28   2.86  50.43) =  99.450%  kept
        T QE    LYS+ 112 - QE    PHE   95   5.61 +/- 0.39  19.373% *  1.5673% (0.69   0.02   0.02) =   0.443%
          HB3   PHE   45 - QE    PHE   95   7.94 +/- 0.22   2.296% *  1.5673% (0.69   0.02   1.89) =   0.053%
        T HB3   ASP-  62 - QE    PHE   95   7.81 +/- 0.37   2.627% *  1.2918% (0.57   0.02   0.02) =   0.050%
          HG3   MET   96 - QE    PHE   95   9.97 +/- 0.19   0.580% *  0.4515% (0.20   0.02  11.99) =   0.004%
          HB3   ASP-  86 - QE    PHE   95  17.41 +/- 0.46   0.021% *  2.1584% (0.95   0.02   0.02) =   0.001%
          HG2   GLU-  29 - QE    PHE   95  21.85 +/- 1.01   0.006% *  2.2766% (1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 129 (1.70, 7.33, 131.79 ppm):
    10 chemical-shift based assignments, quality = 0.526, support = 0.709, residual support = 1.04:
          QG1   ILE   56 - QE    PHE   95   2.11 +/- 0.20  99.551% * 76.1950% (0.53   0.71   1.04) =  99.988%  kept
          HG3   PRO   93 - QE    PHE   95   5.74 +/- 0.46   0.333% *  1.5328% (0.38   0.02   0.02) =   0.007%
          HB3   MET   92 - QE    PHE   95   7.61 +/- 0.62   0.067% *  3.2703% (0.80   0.02   0.02) =   0.003%
          HD2   LYS+ 111 - QE    PHE   95   8.84 +/- 0.34   0.023% *  2.8054% (0.69   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QE    PHE   95   9.48 +/- 0.70   0.015% *  4.0750% (1.00   0.02   0.02) =   0.001%
          HB2   LEU   73 - QE    PHE   95  10.60 +/- 0.56   0.007% *  3.7701% (0.92   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    PHE   95  14.43 +/- 0.60   0.001% *  4.0841% (1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    PHE   95  13.56 +/- 0.40   0.002% *  1.6790% (0.41   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    PHE   95  14.65 +/- 0.45   0.001% *  1.6790% (0.41   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QE    PHE   95  16.39 +/- 1.25   0.001% *  0.9093% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 130 (1.17, 7.33, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 2.75, residual support = 50.4:
          QG2   VAL  107 - QE    PHE   95   2.76 +/- 0.14  98.829% * 97.6043% (0.69   2.75  50.43) =  99.996%  kept
          QG2   THR   94 - QE    PHE   95   6.02 +/- 0.22   0.940% *  0.3527% (0.34   0.02  13.67) =   0.003%
          HB3   LYS+ 112 - QE    PHE   95   7.99 +/- 0.42   0.187% *  0.3881% (0.38   0.02   0.02) =   0.001%
          HG13  ILE  103 - QE    PHE   95  12.21 +/- 0.36   0.014% *  1.0317% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QE    PHE   95  12.49 +/- 0.36   0.012% *  0.4636% (0.45   0.02   0.02) =   0.000%
        T QB    ALA   20 - QE    PHE   95  11.70 +/- 0.35   0.019% *  0.1595% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.954, support = 1.14, residual support = 3.4:
          QD1   LEU   63 - QE    PHE   95   3.71 +/- 0.40  67.627% * 41.5572% (1.00   0.97   2.92) =  67.208%  kept
          QD2   LEU  115 - QE    PHE   95   4.48 +/- 0.31  24.539% * 55.7326% (0.87   1.50   4.39) =  32.706%  kept
          QD2   LEU   63 - QE    PHE   95   5.70 +/- 0.62   7.613% *  0.4507% (0.53   0.02   2.92) =   0.082%
          QD1   LEU   73 - QE    PHE   95  10.84 +/- 0.40   0.106% *  0.8548% (1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - QE    PHE   95  12.28 +/- 0.41   0.051% *  0.5196% (0.61   0.02   0.02) =   0.001%
        T QD2   LEU   80 - QE    PHE   95  13.24 +/- 0.78   0.037% *  0.7156% (0.84   0.02   0.02) =   0.001%
          QG1   VAL   83 - QE    PHE   95  13.80 +/- 0.70   0.027% *  0.1695% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 132 (0.41, 7.33, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 1.32, residual support = 4.39:
        T QD1   LEU  115 - QE    PHE   95   2.53 +/- 0.53  99.212% * 96.7189% (0.34   1.32   4.39) =  99.982%  kept
          QB    ALA   64 - QE    PHE   95   6.49 +/- 0.45   0.671% *  2.4312% (0.57   0.02   0.02) =   0.017%
          QG1   VAL   75 - QE    PHE   95   9.09 +/- 0.66   0.117% *  0.8498% (0.20   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 133 (7.62, 7.29, 132.36 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 1.13, residual support = 70.2:
      O   QE    PHE   60 - QD    PHE   60   2.23 +/- 0.00  98.848% * 96.3856% (0.84   1.13  70.18) =  99.996%  kept
          HN    LEU   63 - QD    PHE   60   4.87 +/- 0.39   1.150% *  0.3138% (0.15   0.02  11.48) =   0.004%
          HZ2   TRP   87 - QD    PHE   60  14.28 +/- 0.37   0.001% *  1.8239% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD    PHE   60  19.65 +/- 0.60   0.000% *  1.4768% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.79 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 = 3.86, residual support = 70.2:
      O T HB3   PHE   60 - QD    PHE   60   2.58 +/- 0.13  99.866% * 98.5799% (0.73   3.86  70.18) = 100.000%  kept
          QE    LYS+  65 - QD    PHE   60   8.35 +/- 0.83   0.098% *  0.1232% (0.18   0.02   0.02) =   0.000%
          QE    LYS+ 106 - QD    PHE   60  12.75 +/- 0.53   0.007% *  0.3701% (0.53   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    PHE   60  10.66 +/- 0.36   0.021% *  0.1085% (0.15   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   60  13.29 +/- 0.53   0.006% *  0.0952% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    PHE   60  18.42 +/- 0.83   0.001% *  0.4832% (0.69   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    PHE   60  17.09 +/- 0.41   0.001% *  0.2399% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.48 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 = 0.905, support = 0.0195, residual support = 1.33:
          QD1   ILE   56 - QD    PHE   60   7.27 +/- 0.17  51.432% * 29.3642% (0.99   0.02   2.15) =  57.786%  kept
          QD2   LEU   73 - QD    PHE   60   7.53 +/- 0.40  42.037% * 24.7461% (0.84   0.02   0.21) =  39.803%  kept
        T QG1   VAL   41 - QD    PHE   60  10.89 +/- 0.32   4.610% *  5.1885% (0.18   0.02   0.02) =   0.915%
          HG3   LYS+ 121 - QD    PHE   60  13.87 +/- 0.56   1.091% * 20.3506% (0.69   0.02   0.02) =   0.849%
          HG    LEU   31 - QD    PHE   60  14.63 +/- 0.80   0.830% * 20.3506% (0.69   0.02   0.02) =   0.647%
    Distance limit 5.04 A violated in 20 structures by 1.52 A, eliminated.
    Peak unassigned.
 
    Peak 139 (0.40, 7.29, 132.36 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 1.75, residual support = 3.39:
          QB    ALA   64 - QD    PHE   60   3.49 +/- 0.04 100.000% *100.0000% (0.95   1.75   3.39) = 100.000%  kept
    Distance limit 4.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 140 (8.40, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.09, residual support = 62.6:
          HN    PHE   97 - QD    PHE   97   2.72 +/- 0.47  99.914% * 99.3272% (0.97   4.09  62.60) = 100.000%  kept
          HN    LEU  115 - QD    PHE   97   9.77 +/- 0.27   0.074% *  0.4853% (0.97   0.02   0.02) =   0.000%
          HN    ASP- 113 - QD    PHE   97  13.14 +/- 0.26   0.012% *  0.0995% (0.20   0.02   0.02) =   0.000%
          HN    ALA   12 - QD    PHE   97  23.49 +/- 2.00   0.000% *  0.0881% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.623, support = 0.019, residual support = 0.019:
          HA    THR  118 - QD    PHE   97   6.86 +/- 0.50  68.593% * 16.5844% (0.61   0.02   0.02) =  66.193%  kept
          HA    ILE  119 - QD    PHE   97   8.19 +/- 0.25  23.878% * 20.8964% (0.76   0.02   0.02) =  29.033%  kept
          HA    VAL   75 - QD    PHE   97  12.70 +/- 0.46   1.726% * 14.3858% (0.53   0.02   0.02) =   1.445%
          HA    ALA   84 - QD    PHE   97  12.76 +/- 0.26   1.721% * 13.3093% (0.49   0.02   0.02) =   1.333%
          HA2   GLY  109 - QD    PHE   97  11.97 +/- 0.29   2.630% *  8.4394% (0.31   0.02   0.02) =   1.291%
          HD3   PRO   58 - QD    PHE   97  13.28 +/- 0.18   1.357% *  7.6024% (0.28   0.02   0.02) =   0.600%
          HB2   TRP   49 - QD    PHE   97  20.65 +/- 0.22   0.095% * 18.7822% (0.69   0.02   0.02) =   0.104%
    Distance limit 5.41 A violated in 20 structures by 1.11 A, eliminated.
    Peak unassigned.
 
    Peak 142 (2.98, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 2.44, residual support = 62.6:
      O T HB2   PHE   97 - QD    PHE   97   2.47 +/- 0.12  98.997% * 97.4912% (0.90   2.44  62.60) =  99.995%  kept
          QE    LYS+ 106 - QD    PHE   97   6.44 +/- 0.75   0.453% *  0.8440% (0.95   0.02  11.08) =   0.004%
          QE    LYS+  99 - QD    PHE   97   6.66 +/- 0.96   0.491% *  0.1766% (0.20   0.02   0.02) =   0.001%
          HB3   PHE   60 - QD    PHE   97   8.72 +/- 0.33   0.055% *  0.7144% (0.80   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   97  13.41 +/- 0.59   0.004% *  0.7739% (0.87   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 143 (2.36, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.74, residual support = 62.6:
      O T HB3   PHE   97 - QD    PHE   97   2.46 +/- 0.21  99.978% * 97.9268% (1.00   2.74  62.60) = 100.000%  kept
          HB2   GLU- 100 - QD    PHE   97  11.49 +/- 0.49   0.011% *  0.6419% (0.90   0.02   0.02) =   0.000%
          HB2   GLN  116 - QD    PHE   97  12.28 +/- 0.30   0.008% *  0.6907% (0.97   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD    PHE   97  15.19 +/- 0.21   0.002% *  0.5197% (0.73   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD    PHE   97  16.86 +/- 0.60   0.001% *  0.2209% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.20 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 = 0.833, support = 0.237, residual support = 0.233:
          QG1   VAL  107 - QD    PHE   97   5.06 +/- 0.29  95.667% * 77.7187% (0.84   0.24   0.23) =  99.785%  kept
          HG13  ILE  119 - QD    PHE   97   8.95 +/- 0.35   3.309% *  3.2258% (0.41   0.02   0.02) =   0.143%
          HB3   LEU   31 - QD    PHE   97  11.84 +/- 0.39   0.615% *  3.5178% (0.45   0.02   0.02) =   0.029%
          HD3   LYS+ 112 - QD    PHE   97  13.66 +/- 0.36   0.261% *  7.6911% (0.98   0.02   0.02) =   0.027%
          QG1   VAL   24 - QD    PHE   97  15.14 +/- 0.77   0.148% *  7.8465% (1.00   0.02   0.02) =   0.016%
    Distance limit 5.05 A violated in 6 structures by 0.12 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 145 (1.02, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 3.08, residual support = 15.1:
          HB2   LEU  104 - QD    PHE   97   4.57 +/- 0.37  93.413% * 98.0743% (0.69   3.08  15.08) =  99.957%  kept
          QG2   VAL  108 - QD    PHE   97   7.89 +/- 0.34   4.190% *  0.4874% (0.53   0.02   0.02) =   0.022%
          QD1   ILE  119 - QD    PHE   97   9.05 +/- 0.22   1.725% *  0.8764% (0.95   0.02   0.02) =   0.016%
          HB    VAL   75 - QD    PHE   97  10.59 +/- 0.46   0.673% *  0.5619% (0.61   0.02   0.02) =   0.004%
    Distance limit 5.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 146 (0.20, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.264, support = 0.02, residual support = 0.02:
          QG2   THR  118 - QD    PHE   97   3.81 +/- 0.48  66.534% * 36.7154% (0.20   0.02   0.02) =  53.562%  kept
          QG2   VAL   70 - QD    PHE   97   4.47 +/- 0.43  33.466% * 63.2846% (0.34   0.02   0.02) =  46.438%  kept
    Distance limit 5.42 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 147 (0.40, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.993, support = 0.0199, residual support = 0.0199:
          QB    ALA   64 - QD    PHE   97   7.83 +/- 0.25  95.917% * 85.0969% (1.00   0.02   0.02) =  99.260%  kept
          QB    ALA   47 - QD    PHE   97  13.28 +/- 0.23   4.083% * 14.9031% (0.18   0.02   0.02) =   0.740%
    Distance limit 5.50 A violated in 20 structures by 2.33 A, eliminated.
    Peak unassigned.
 
    Peak 148 (8.40, 7.19, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.901, support = 0.0187, residual support = 21.4:
          HN    LEU  115 - QD    PHE   59   6.16 +/- 0.31  84.622% * 41.9018% (0.97   0.02  22.88) =  93.393%  kept
          HN    PHE   97 - QD    PHE   59  10.52 +/- 0.18   3.564% * 41.9018% (0.97   0.02   0.02) =   3.934%
          HN    ASP- 113 - QD    PHE   59   8.56 +/- 0.25  11.791% *  8.5925% (0.20   0.02   0.02) =   2.669%
          HN    ALA   12 - QD    PHE   59  25.51 +/- 2.34   0.023% *  7.6039% (0.18   0.02   0.02) =   0.005%
    Distance limit 5.50 A violated in 20 structures by 0.66 A, eliminated.
    Peak unassigned.
 
    Peak 149 (4.37, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.577, support = 2.27, residual support = 52.0:
          HA    PHE   59 - QD    PHE   59   2.70 +/- 0.37  90.012% * 66.1875% (0.61   2.39  54.66) =  95.120%  kept
          HA    ILE   56 - QD    PHE   59   3.96 +/- 0.31   9.857% * 30.9960% (0.61   1.12  18.79) =   4.878%
          HA    ASP- 113 - QD    PHE   59   8.93 +/- 0.26   0.082% *  0.9105% (1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - QD    PHE   59   9.99 +/- 0.31   0.044% *  0.4442% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD    PHE   59  16.25 +/- 0.21   0.002% *  0.7307% (0.80   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    PHE   59  20.29 +/- 0.34   0.001% *  0.5903% (0.65   0.02   0.02) =   0.000%
          HA    TRP   87 - QD    PHE   59  16.30 +/- 0.31   0.002% *  0.1408% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.997, support = 1.5, residual support = 20.5:
        T HA    ILE  119 - QD    PHE   59   4.25 +/- 0.06  96.024% * 95.3149% (1.00   1.50  20.55) =  99.951%  kept
        T HA    THR  118 - QD    PHE   59   7.55 +/- 0.15   3.078% *  1.2049% (0.95   0.02   6.03) =   0.040%
          HA2   GLY  109 - QD    PHE   59   9.63 +/- 0.44   0.742% *  0.8749% (0.69   0.02   0.02) =   0.007%
          HB2   TRP   49 - QD    PHE   59  15.72 +/- 0.21   0.038% *  1.2485% (0.98   0.02   0.02) =   0.001%
          HA    ALA   84 - QD    PHE   59  15.66 +/- 0.34   0.039% *  1.1048% (0.87   0.02   0.02) =   0.000%
          HA    VAL   75 - QD    PHE   59  13.92 +/- 0.40   0.080% *  0.2521% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 2.44, residual support = 54.7:
      O   HB2   PHE   59 - QD    PHE   59   2.53 +/- 0.18  99.611% * 97.5745% (0.97   2.44  54.66) =  99.998%  kept
          QB    PHE   55 - QD    PHE   59   7.04 +/- 0.30   0.257% *  0.6344% (0.76   0.02   0.02) =   0.002%
          HD3   PRO   93 - QD    PHE   59   9.13 +/- 0.42   0.053% *  0.5370% (0.65   0.02   0.02) =   0.000%
          HB3   CYS   53 - QD    PHE   59   8.85 +/- 0.22   0.059% *  0.3722% (0.45   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   59  11.68 +/- 0.41   0.012% *  0.5702% (0.69   0.02   0.02) =   0.000%
          HD2   ARG+  54 - QD    PHE   59  12.16 +/- 0.62   0.009% *  0.3116% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.26 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 = 2.86, residual support = 54.7:
      O   HB3   PHE   59 - QD    PHE   59   2.39 +/- 0.13  99.999% * 99.7768% (0.97   2.86  54.66) = 100.000%  kept
          HB3   TRP   49 - QD    PHE   59  16.53 +/- 0.25   0.001% *  0.2232% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.00 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 = 0.855, support = 0.02, residual support = 21.9:
          HB2   PRO   58 - QD    PHE   59   7.30 +/- 0.06  48.178% * 31.0944% (0.99   0.02  37.68) =  58.185%  kept
          HB2   GLN  116 - QD    PHE   59   7.35 +/- 0.12  46.376% * 20.2947% (0.65   0.02   0.02) =  36.556%  kept
          HB3   PHE   97 - QD    PHE   59  10.56 +/- 0.24   5.306% * 25.1208% (0.80   0.02   0.02) =   5.177%  kept
          HB2   GLU- 100 - QD    PHE   59  19.96 +/- 0.35   0.116% * 16.5055% (0.53   0.02   0.02) =   0.075%
          HG3   GLU-  25 - QD    PHE   59  25.88 +/- 0.44   0.025% *  6.9845% (0.22   0.02   0.02) =   0.007%
    Distance limit 5.50 A violated in 20 structures by 0.96 A, eliminated.
    Peak unassigned.
 
    Peak 154 (1.72, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 1.97, residual support = 18.8:
        T QG1   ILE   56 - QD    PHE   59   2.40 +/- 0.54  99.954% * 97.2310% (0.97   1.97  18.79) = 100.000%  kept
          QD    LYS+ 106 - QD    PHE   59  11.08 +/- 0.69   0.022% *  0.3482% (0.34   0.02   0.02) =   0.000%
          HB    ILE   89 - QD    PHE   59  14.05 +/- 0.26   0.005% *  0.8173% (0.80   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD    PHE   59  15.10 +/- 0.35   0.003% *  1.0184% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD    PHE   59  13.12 +/- 0.73   0.011% *  0.2020% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD    PHE   59  14.45 +/- 0.53   0.004% *  0.3831% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.539, support = 1.64, residual support = 22.9:
          HB3   LEU  115 - QD    PHE   59   3.68 +/- 0.78  52.852% * 67.1523% (0.65   1.50  22.88) =  78.073%  kept
          HG    LEU  115 - QD    PHE   59   3.77 +/- 0.95  43.122% * 23.0376% (0.15   2.16  22.88) =  21.853%  kept
          QB    ALA  110 - QD    PHE   59   5.89 +/- 0.34   1.749% *  0.6205% (0.45   0.02   0.02) =   0.024%
          QG    LYS+  66 - QD    PHE   59   6.75 +/- 0.69   0.790% *  1.3357% (0.97   0.02   0.02) =   0.023%
          QB    ALA   61 - QD    PHE   59   6.22 +/- 0.20   0.986% *  0.9507% (0.69   0.02   0.21) =   0.021%
          HG    LEU   67 - QD    PHE   59   9.36 +/- 1.11   0.127% *  0.7282% (0.53   0.02   0.02) =   0.002%
          HB3   LEU   67 - QD    PHE   59  10.08 +/- 0.70   0.061% *  1.1561% (0.84   0.02   0.02) =   0.002%
          QB    ALA  120 - QD    PHE   59   7.72 +/- 0.08   0.280% *  0.2136% (0.15   0.02   0.02) =   0.001%
          HG    LEU   40 - QD    PHE   59  12.25 +/- 0.69   0.018% *  0.8954% (0.65   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    PHE   59  13.85 +/- 0.74   0.008% *  1.3810% (1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    PHE   59  16.02 +/- 0.46   0.004% *  0.5195% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    PHE   59  19.27 +/- 1.49   0.001% *  1.3357% (0.97   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    PHE   59  18.12 +/- 1.03   0.002% *  0.6737% (0.49   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 156 (1.10, 7.19, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 2.95, residual support = 20.5:
        T HG13  ILE  119 - QD    PHE   59   2.29 +/- 0.17  98.810% * 94.8902% (0.41   2.95  20.55) =  99.983%  kept
        T QG1   VAL  107 - QD    PHE   59   5.28 +/- 0.44   0.880% *  1.3077% (0.84   0.02   0.02) =   0.012%
          HD3   LYS+ 112 - QD    PHE   59   6.14 +/- 0.48   0.309% *  1.5346% (0.98   0.02   0.22) =   0.005%
          QG1   VAL   24 - QD    PHE   59  18.51 +/- 0.90   0.000% *  1.5656% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    PHE   59  18.91 +/- 0.60   0.000% *  0.7019% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 157 (0.82, 7.19, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.918, support = 0.0197, residual support = 0.0197:
          QD2   LEU  123 - QD    PHE   59   8.17 +/- 0.33  77.831% * 60.0043% (0.98   0.02   0.02) =  90.629%  kept
          HG3   LYS+ 121 - QD    PHE   59  10.50 +/- 0.33  17.731% * 22.9752% (0.38   0.02   0.02) =   7.906%  kept
          HB3   LEU  104 - QD    PHE   59  13.23 +/- 0.38   4.437% * 17.0205% (0.28   0.02   0.02) =   1.466%
    Distance limit 5.50 A violated in 20 structures by 2.40 A, eliminated.
    Peak unassigned.
 
    Peak 158 (0.59, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.976, support = 3.31, residual support = 21.2:
          QD2   LEU  115 - QD    PHE   59   2.50 +/- 0.29  69.835% * 75.2795% (0.98   3.49  22.88) =  92.332%  kept
          QD1   LEU   63 - QD    PHE   59   3.25 +/- 0.42  18.714% * 23.2360% (0.92   1.14   0.42) =   7.637%  kept
          QD2   LEU   63 - QD    PHE   59   3.99 +/- 0.93  11.439% *  0.1502% (0.34   0.02   0.42) =   0.030%
          QD1   LEU  104 - QD    PHE   59  12.35 +/- 0.54   0.005% *  0.3526% (0.80   0.02   0.02) =   0.000%
          QD1   LEU   73 - QD    PHE   59  12.77 +/- 0.33   0.004% *  0.4065% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD    PHE   59  15.72 +/- 0.86   0.001% *  0.4249% (0.97   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD    PHE   59  16.27 +/- 0.80   0.001% *  0.1502% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 159 (0.43, 7.19, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 3.49, residual support = 22.9:
        T QD1   LEU  115 - QD    PHE   59   2.37 +/- 0.16  99.815% * 99.4541% (0.84   3.49  22.88) = 100.000%  kept
          QB    ALA   64 - QD    PHE   59   6.95 +/- 0.36   0.175% *  0.1051% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   75 - QD    PHE   59  11.58 +/- 0.74   0.009% *  0.4408% (0.65   0.02   0.02) =   0.000%
    Distance limit 5.28 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 = 0.726, support = 1.5, residual support = 22.9:
        T HA    LEU  115 - QE    PHE   59   3.64 +/- 0.23  98.089% * 92.0461% (0.73   1.50  22.88) =  99.976%  kept
          HA    GLU- 114 - QE    PHE   59   7.71 +/- 0.20   1.110% *  1.6864% (1.00   0.02   0.02) =   0.021%
          HA    CYS   53 - QE    PHE   59   8.51 +/- 0.28   0.667% *  0.2960% (0.18   0.02   0.02) =   0.002%
        T HA    ARG+  54 - QE    PHE   59  11.50 +/- 0.24   0.107% *  0.3345% (0.20   0.02   0.02) =   0.000%
          HA1   GLY  101 - QE    PHE   59  17.16 +/- 0.62   0.010% *  1.6567% (0.98   0.02   0.02) =   0.000%
          HA    ALA   34 - QE    PHE   59  17.17 +/- 0.29   0.010% *  1.4661% (0.87   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    PHE   59  19.16 +/- 0.67   0.005% *  1.1610% (0.69   0.02   0.02) =   0.000%
          HA    THR   26 - QE    PHE   59  20.81 +/- 0.60   0.003% *  1.3533% (0.80   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 161 (3.88, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 1.92, residual support = 6.03:
        T HB    THR  118 - QE    PHE   59   3.51 +/- 0.24  99.930% * 97.5881% (0.95   1.92   6.03) = 100.000%  kept
          HA    ILE   89 - QE    PHE   59  12.75 +/- 0.40   0.047% *  0.6509% (0.61   0.02   0.02) =   0.000%
          HB    THR   39 - QE    PHE   59  15.82 +/- 0.34   0.013% *  0.4811% (0.45   0.02   0.02) =   0.000%
          HB3   SER   37 - QE    PHE   59  18.56 +/- 0.69   0.005% *  0.6509% (0.61   0.02   0.02) =   0.000%
          QB    SER   13 - QE    PHE   59  19.92 +/- 1.23   0.003% *  0.4412% (0.41   0.02   0.02) =   0.000%
          HB3   SER   82 - QE    PHE   59  21.29 +/- 0.52   0.002% *  0.1879% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 162 (2.42, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.736, support = 0.278, residual support = 1.61:
          QE    LYS+ 112 - QE    PHE   59   6.04 +/- 0.37  10.899% * 53.6966% (1.00   0.19   0.22) =  47.549%  kept
          HB    VAL  107 - QE    PHE   59   4.13 +/- 0.56  78.655% *  4.4791% (0.80   0.02   0.02) =  28.623%  kept
          HB3   ASP-  62 - QE    PHE   59   5.90 +/- 0.45  10.059% * 28.9477% (0.14   0.76   6.35) =  23.658%  kept
          HB3   PHE   45 - QE    PHE   59  10.44 +/- 0.41   0.367% *  5.5813% (1.00   0.02   0.02) =   0.167%
          HB3   ASP-  86 - QE    PHE   59  19.11 +/- 0.51   0.009% *  2.5078% (0.45   0.02   0.02) =   0.002%
          HG2   GLU-  29 - QE    PHE   59  23.19 +/- 0.96   0.003% *  3.3928% (0.61   0.02   0.02) =   0.001%
          QG    GLN   32 - QE    PHE   59  20.06 +/- 0.60   0.007% *  1.3948% (0.25   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 163 (2.27, 7.26, 128.86 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 3.87, residual support = 20.5:
          HG12  ILE  119 - QE    PHE   59   2.53 +/- 0.66  98.719% * 95.8854% (0.73   3.87  20.55) =  99.991%  kept
          HB2   ASP-  44 - QE    PHE   59   6.65 +/- 0.75   1.185% *  0.6764% (0.99   0.02   0.02) =   0.008%
          HB3   PHE   72 - QE    PHE   59   9.77 +/- 0.62   0.060% *  0.6809% (1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    PHE   59  14.08 +/- 0.71   0.008% *  0.6689% (0.98   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    PHE   59  12.29 +/- 0.56   0.021% *  0.1702% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  15 - QE    PHE   59  15.64 +/- 1.00   0.005% *  0.6455% (0.95   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   59  18.50 +/- 0.99   0.002% *  0.6809% (1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   59  23.87 +/- 1.81   0.000% *  0.3590% (0.53   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    PHE   59  21.72 +/- 0.49   0.001% *  0.2328% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.32 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 = 0.726, support = 3.8, residual support = 20.5:
          HG13  ILE  119 - QE    PHE   59   2.10 +/- 0.30  94.113% * 97.6253% (0.73   3.80  20.55) =  99.976%  kept
          QG1   VAL  107 - QE    PHE   59   3.75 +/- 0.60   5.818% *  0.3726% (0.53   0.02   0.02) =   0.024%
          HD3   LYS+ 112 - QE    PHE   59   7.40 +/- 0.46   0.067% *  0.6699% (0.95   0.02   0.22) =   0.000%
          QB    ALA   20 - QE    PHE   59  13.84 +/- 0.47   0.002% *  0.1766% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   31 - QE    PHE   59  17.44 +/- 0.61   0.000% *  0.5412% (0.76   0.02   0.02) =   0.000%
          QG1   VAL   24 - QE    PHE   59  17.88 +/- 0.92   0.000% *  0.6143% (0.87   0.02   0.02) =   0.000%
    Distance limit 5.24 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 = 0.8, support = 2.44, residual support = 18.4:
        T QD2   LEU  115 - QE    PHE   59   2.86 +/- 0.28  31.988% * 87.4466% (0.87   2.91  22.88) =  80.100%  kept
        T QD1   LEU   63 - QE    PHE   59   2.48 +/- 0.39  67.973% * 10.2237% (0.53   0.56   0.42) =  19.900%  kept
        T QD1   LEU  104 - QE    PHE   59  10.63 +/- 0.50   0.011% *  0.6918% (1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QE    PHE   59   9.45 +/- 0.32   0.021% *  0.1214% (0.18   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QE    PHE   59  12.02 +/- 0.42   0.005% *  0.3648% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   80 - QE    PHE   59  15.26 +/- 0.92   0.001% *  0.6218% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   83 - QE    PHE   59  15.49 +/- 0.79   0.001% *  0.5299% (0.76   0.02   0.02) =   0.000%
    Distance limit 5.05 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 = 2.96, residual support = 22.9:
          QD1   LEU  115 - QE    PHE   59   3.37 +/- 0.16  98.828% * 98.9161% (0.45   2.96  22.88) =  99.992%  kept
          QB    ALA   64 - QE    PHE   59   7.20 +/- 0.40   1.082% *  0.6690% (0.45   0.02   0.02) =   0.007%
          QG1   VAL   75 - QE    PHE   59  11.16 +/- 0.82   0.090% *  0.4149% (0.28   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 2.23, residual support = 6.03:
          QG2   THR  118 - QE    PHE   59   3.21 +/- 0.20 100.000% *100.0000% (0.80   2.23   6.03) = 100.000%  kept
    Distance limit 5.50 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 = 0.991, support = 1.13, residual support = 70.2:
      O   QD    PHE   60 - QE    PHE   60   2.23 +/- 0.00  99.882% * 96.8878% (0.99   1.13  70.18) =  99.999%  kept
          HN    LYS+  66 - QE    PHE   60   8.20 +/- 0.28   0.042% *  1.3166% (0.76   0.02   0.02) =   0.001%
          QE    PHE   59 - QE    PHE   60   7.57 +/- 0.61   0.076% *  0.4790% (0.28   0.02  15.33) =   0.000%
          HN    LYS+  81 - QE    PHE   60  15.72 +/- 0.48   0.001% *  1.3166% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 0.809, support = 0.826, residual support = 4.02:
          HB2   ASP-  44 - QE    PHE   60   3.01 +/- 0.69  64.540% * 38.8064% (0.76   0.75   3.11) =  56.574%  kept
          HB3   PHE   72 - QE    PHE   60   3.48 +/- 0.69  35.367% * 54.3564% (0.87   0.93   5.21) =  43.424%  kept
          HG12  ILE  119 - QE    PHE   60  11.64 +/- 0.60   0.020% *  1.3273% (0.98   0.02   0.02) =   0.001%
          QG    GLU-  15 - QE    PHE   60  11.11 +/- 0.77   0.027% *  0.8760% (0.65   0.02   0.02) =   0.001%
          QG    GLU-  14 - QE    PHE   60  12.60 +/- 0.93   0.017% *  1.0843% (0.80   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    PHE   60  13.62 +/- 0.69   0.008% *  1.2500% (0.92   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    PHE   60  14.12 +/- 0.65   0.007% *  0.7666% (0.57   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    PHE   60  13.09 +/- 0.69   0.009% *  0.3015% (0.22   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    PHE   60  16.14 +/- 0.60   0.003% *  0.9301% (0.69   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   60  18.82 +/- 2.41   0.003% *  0.3015% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 170 (1.38, 7.63, 131.92 ppm):
    14 chemical-shift based assignments, quality = 0.864, support = 0.283, residual support = 0.109:
          HB3   LEU   73 - QE    PHE   60   7.35 +/- 0.52  12.332% * 47.8493% (0.98   0.39   0.21) =  46.508%  kept
          HG3   LYS+  65 - QE    PHE   60   7.69 +/- 1.09  13.531% * 29.3050% (1.00   0.23   0.02) =  31.253%  kept
          HB3   LYS+  74 - QE    PHE   60   6.06 +/- 0.59  36.799% *  5.5045% (0.25   0.18   0.02) =  15.965%  kept
          HB    VAL   42 - QE    PHE   60   6.39 +/- 0.83  28.769% *  2.5094% (1.00   0.02   0.02) =   5.690%  kept
          HB3   PRO   93 - QE    PHE   60   8.43 +/- 0.43   5.560% *  0.6993% (0.28   0.02   0.02) =   0.306%
          QB    LEU   98 - QE    PHE   60  11.89 +/- 0.68   0.646% *  1.2242% (0.49   0.02   0.02) =   0.062%
        T QB    ALA   84 - QE    PHE   60  11.22 +/- 0.39   0.933% *  0.6271% (0.25   0.02   0.02) =   0.046%
          HG3   LYS+ 106 - QE    PHE   60  14.12 +/- 0.97   0.268% *  2.1007% (0.84   0.02   0.02) =   0.044%
          QB    ALA   12 - QE    PHE   60  15.74 +/- 1.93   0.258% *  1.9220% (0.76   0.02   0.02) =   0.039%
          HG3   LYS+  33 - QE    PHE   60  15.12 +/- 0.59   0.157% *  2.5094% (1.00   0.02   0.02) =   0.031%
          HB2   LYS+ 112 - QE    PHE   60  15.22 +/- 0.20   0.156% *  2.3216% (0.92   0.02   0.02) =   0.029%
          HG    LEU   98 - QE    PHE   60  13.22 +/- 1.24   0.382% *  0.4405% (0.18   0.02   0.02) =   0.013%
          HD3   LYS+ 121 - QE    PHE   60  14.73 +/- 0.65   0.180% *  0.5599% (0.22   0.02   0.02) =   0.008%
          HG3   LYS+ 102 - QE    PHE   60  19.98 +/- 1.08   0.029% *  2.4271% (0.97   0.02   0.02) =   0.006%
    Distance limit 5.50 A violated in 1 structures by 0.01 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 171 (0.81, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.432, support = 0.02, residual support = 1.4:
        T QD1   ILE   56 - QE    PHE   60   9.00 +/- 0.17  88.831% * 10.7137% (0.20   0.02   2.15) =  64.826%  kept
          QD2   LEU  123 - QE    PHE   60  13.72 +/- 0.42   7.251% * 49.9748% (0.92   0.02   0.02) =  24.684%  kept
          HG3   LYS+ 121 - QE    PHE   60  15.28 +/- 0.67   3.918% * 39.3116% (0.73   0.02   0.02) =  10.491%  kept
    Distance limit 5.50 A violated in 20 structures by 3.32 A, eliminated.
    Peak unassigned.
 
    Peak 172 (0.39, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 1.69, residual support = 3.39:
          QB    ALA   64 - QE    PHE   60   3.14 +/- 0.23  85.637% * 98.8924% (0.84   1.69   3.39) =  99.919%  kept
          QG1   VAL   42 - QE    PHE   60   4.49 +/- 0.68  14.262% *  0.4786% (0.34   0.02   0.02) =   0.081%
          QB    ALA   47 - QE    PHE   60   9.77 +/- 0.40   0.102% *  0.6290% (0.45   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 173 (2.28, 7.29, 132.36 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 2.0, residual support = 3.11:
          HB2   ASP-  44 - QD    PHE   60   2.74 +/- 0.24  96.744% * 94.7353% (0.87   2.00   3.11) =  99.971%  kept
          HB3   PHE   72 - QD    PHE   60   5.20 +/- 0.59   3.149% *  0.8346% (0.76   0.02   5.21) =   0.029%
          HG12  ILE  119 - QD    PHE   60   9.56 +/- 0.58   0.064% *  0.3725% (0.34   0.02   0.02) =   0.000%
          QG    GLU-  15 - QD    PHE   60  12.46 +/- 0.77   0.012% *  1.0331% (0.95   0.02   0.02) =   0.000%
          QG    GLN   90 - QD    PHE   60  13.48 +/- 0.40   0.008% *  0.7502% (0.69   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD    PHE   60  14.27 +/- 0.91   0.006% *  0.9122% (0.84   0.02   0.02) =   0.000%
          HG2   MET   92 - QD    PHE   60  11.97 +/- 0.57   0.015% *  0.1913% (0.18   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   60  20.26 +/- 2.29   0.001% *  0.9795% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QD    PHE   60  21.38 +/- 1.01   0.001% *  0.1913% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 174 (6.98, 6.69, 132.41 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.87, residual support = 81.5:
      O   QE    PHE   72 - QD    PHE   72   2.23 +/- 0.00  99.997% * 99.2855% (0.87   2.87  81.46) = 100.000%  kept
          HN    ALA   47 - QD    PHE   72  13.00 +/- 0.28   0.003% *  0.1988% (0.25   0.02   0.02) =   0.000%
          HD22  ASN   28 - QD    PHE   72  17.06 +/- 0.41   0.001% *  0.5157% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 0.764, support = 2.0, residual support = 5.21:
          QD    PHE   60 - QD    PHE   72   3.12 +/- 0.26  98.589% * 97.8034% (0.76   2.00   5.21) =  99.995%  kept
          HN    LYS+  66 - QD    PHE   72   6.56 +/- 0.21   1.248% *  0.3558% (0.28   0.02   0.02) =   0.005%
          HE3   TRP   27 - QD    PHE   72   9.41 +/- 0.25   0.147% *  0.3191% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD    PHE   72  17.57 +/- 0.37   0.003% *  1.2684% (0.99   0.02   0.02) =   0.000%
          QD    PHE   55 - QD    PHE   72  14.18 +/- 0.28   0.012% *  0.2533% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 176 (7.60, 6.69, 132.41 ppm):
    7 chemical-shift based assignments, quality = 0.175, support = 2.14, residual support = 5.2:
          QE    PHE   60 - QD    PHE   72   2.51 +/- 0.30  99.030% * 83.4201% (0.18   2.14   5.21) =  99.958%  kept
          HN    LEU   63 - QD    PHE   72   5.72 +/- 0.34   0.945% *  3.5613% (0.80   0.02  18.81) =   0.041%
          HZ2   TRP   87 - QD    PHE   72  12.40 +/- 0.29   0.008% *  3.2295% (0.73   0.02   0.02) =   0.000%
          HN    ILE   56 - QD    PHE   72  12.27 +/- 0.20   0.009% *  3.0550% (0.69   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD    PHE   72  13.90 +/- 0.16   0.004% *  1.3727% (0.31   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD    PHE   72  17.12 +/- 0.31   0.001% *  3.9887% (0.90   0.02   0.02) =   0.000%
          HN    ALA   84 - QD    PHE   72  15.35 +/- 0.33   0.002% *  1.3727% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 177 (9.36, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.46, residual support = 81.5:
          HN    PHE   72 - QD    PHE   72   2.63 +/- 0.13  99.981% * 99.8186% (0.98   5.46  81.46) = 100.000%  kept
          HN    LEU  104 - QD    PHE   72  11.06 +/- 0.26   0.019% *  0.1814% (0.49   0.02   0.02) =   0.000%
    Distance limit 5.44 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 = 0.711, support = 2.3, residual support = 81.5:
      O T QD    PHE   72 - QE    PHE   72   2.23 +/- 0.00  46.805% * 71.8188% (0.69   2.87  81.46) =  69.429%  kept
      O T HZ    PHE   72 - QE    PHE   72   2.18 +/- 0.00  53.190% * 27.8267% (0.76   1.00  81.46) =  30.571%  kept
          QE    PHE   45 - QE    PHE   72  10.20 +/- 0.34   0.005% *  0.3545% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.738, support = 0.759, residual support = 4.92:
          QD    PHE   60 - QE    PHE   72   3.63 +/- 0.27  88.294% * 67.0943% (0.76   0.75   5.21) =  94.551%  kept
          HN    LYS+  66 - QE    PHE   72   5.23 +/- 0.32  11.554% * 29.5381% (0.28   0.91   0.02) =   5.447%  kept
          HE3   TRP   27 - QE    PHE   72  11.13 +/- 0.28   0.114% *  0.5838% (0.25   0.02   0.02) =   0.001%
          QD    PHE   55 - QE    PHE   72  13.57 +/- 0.45   0.034% *  0.4633% (0.20   0.02   0.02) =   0.000%
          HN    LYS+  81 - QE    PHE   72  19.13 +/- 0.37   0.004% *  2.3204% (0.99   0.02   0.02) =   0.000%
    Distance limit 5.49 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 = 81.5:
      O   QE    PHE   72 - HZ    PHE   72   2.18 +/- 0.00  99.999% * 98.2767% (1.00   1.00  81.46) = 100.000%  kept
          HN    ALA   47 - HZ    PHE   72  16.65 +/- 0.51   0.001% *  1.1153% (0.57   0.02   0.02) =   0.000%
          HD22  ASN   28 - HZ    PHE   72  21.64 +/- 0.49   0.000% *  0.6080% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 4.17, residual support = 81.5:
          HA    PHE   72 - QD    PHE   72   2.50 +/- 0.23  99.955% * 99.8177% (0.90   4.17  81.46) = 100.000%  kept
          HA    MET   96 - QD    PHE   72   9.40 +/- 0.24   0.045% *  0.1823% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.299, support = 0.019, residual support = 0.019:
          HA    PHE   45 - QD    PHE   72   9.21 +/- 0.28  88.967% *  9.9133% (0.22   0.02   0.02) =  78.782%  kept
          HA    THR   23 - QD    PHE   72  15.67 +/- 0.19   3.707% * 28.8048% (0.65   0.02   0.02) =   9.538%  kept
          HA    ASP-  78 - QD    PHE   72  17.62 +/- 0.22   1.824% * 41.1037% (0.92   0.02   0.02) =   6.696%  kept
          HA    LEU   80 - QD    PHE   72  16.42 +/- 0.59   2.812% * 12.3802% (0.28   0.02   0.02) =   3.110%
          HB    THR   23 - QD    PHE   72  16.54 +/- 0.22   2.690% *  7.7981% (0.18   0.02   0.02) =   1.874%
    Distance limit 5.50 A violated in 20 structures by 3.62 A, eliminated.
    Peak unassigned.
 
    Peak 183 (2.85, 6.69, 132.41 ppm):
    4 chemical-shift based assignments, quality = 0.585, support = 3.31, residual support = 59.4:
        T HA    ALA   64 - QD    PHE   72   3.16 +/- 0.17  23.482% * 78.4578% (0.92   2.96  40.06) =  53.309%  kept
      O T HB2   PHE   72 - QD    PHE   72   2.57 +/- 0.19  76.489% * 21.0963% (0.20   3.71  81.46) =  46.691%  kept
          QE    LYS+  66 - QD    PHE   72   9.83 +/- 0.37   0.026% *  0.1434% (0.25   0.02   0.02) =   0.000%
          HB3   ASN   35 - QD    PHE   72  14.23 +/- 0.35   0.003% *  0.3025% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.65 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 = 4.53, residual support = 81.5:
      O T HB3   PHE   72 - QD    PHE   72   2.54 +/- 0.20  96.341% * 97.4525% (0.98   4.53  81.46) =  99.984%  kept
          HB2   ASP-  44 - QD    PHE   72   4.57 +/- 0.41   3.459% *  0.4050% (0.92   0.02   0.02) =   0.015%
          QG    GLU-  15 - QD    PHE   72   8.07 +/- 1.20   0.150% *  0.3664% (0.84   0.02   0.02) =   0.001%
          QG    GLU-  14 - QD    PHE   72  11.02 +/- 1.04   0.026% *  0.4150% (0.95   0.02   0.02) =   0.000%
          HG12  ILE  119 - QD    PHE   72  11.21 +/- 0.69   0.015% *  0.3805% (0.87   0.02   0.02) =   0.000%
          QG    GLN   90 - QD    PHE   72  15.31 +/- 0.55   0.002% *  0.4377% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD    PHE   72  14.31 +/- 0.28   0.003% *  0.2135% (0.49   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   72  16.90 +/- 1.73   0.002% *  0.1646% (0.38   0.02   0.02) =   0.000%
          HG3   MET   92 - QD    PHE   72  16.87 +/- 0.54   0.001% *  0.1646% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 185 (1.39, 6.69, 132.41 ppm):
    12 chemical-shift based assignments, quality = 0.8, support = 0.83, residual support = 5.58:
        T HB    VAL   42 - QD    PHE   72   2.86 +/- 0.42  98.230% * 81.6638% (0.80   0.83   5.58) =  99.960%  kept
          HB3   LEU   73 - QD    PHE   72   7.03 +/- 0.46   0.738% *  1.7828% (0.73   0.02  27.39) =   0.016%
          HG3   LYS+  65 - QD    PHE   72   7.60 +/- 0.91   0.570% *  1.9659% (0.80   0.02   0.02) =   0.014%
          HB3   LYS+  74 - QD    PHE   72   8.34 +/- 0.22   0.226% *  1.3900% (0.57   0.02   0.02) =   0.004%
          QB    LEU   98 - QD    PHE   72   9.05 +/- 0.31   0.121% *  2.0507% (0.84   0.02   0.02) =   0.003%
          HG3   LYS+  33 - QD    PHE   72  11.17 +/- 0.50   0.041% *  2.1297% (0.87   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QD    PHE   72  11.99 +/- 0.59   0.025% *  1.2917% (0.53   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD    PHE   72  12.48 +/- 0.73   0.023% *  1.1950% (0.49   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    PHE   72  14.19 +/- 1.35   0.010% *  2.4334% (0.99   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    PHE   72  14.52 +/- 0.90   0.007% *  0.9214% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD    PHE   72  16.36 +/- 0.65   0.004% *  1.6864% (0.69   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QD    PHE   72  16.60 +/- 0.21   0.004% *  1.4891% (0.61   0.02   0.02) =   0.000%
    Distance limit 5.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 186 (1.00, 6.69, 132.41 ppm):
    8 chemical-shift based assignments, quality = 0.41, support = 1.5, residual support = 35.1:
        T QD1   LEU   67 - QD    PHE   72   4.23 +/- 0.09  84.027% * 91.4314% (0.41   1.50  35.19) =  99.732%  kept
          QD2   LEU   40 - QD    PHE   72   5.97 +/- 0.45  11.929% *  1.3295% (0.45   0.02   0.02) =   0.206%
          HB    VAL   75 - QD    PHE   72   9.61 +/- 0.52   0.655% *  2.9066% (0.98   0.02   0.02) =   0.025%
          HG3   LYS+  74 - QD    PHE   72   8.16 +/- 0.77   1.937% *  0.6602% (0.22   0.02   0.02) =   0.017%
        T QD1   ILE  119 - QD    PHE   72   9.54 +/- 0.37   0.648% *  1.5601% (0.53   0.02   0.02) =   0.013%
          HB2   LEU  104 - QD    PHE   72  10.25 +/- 0.32   0.420% *  0.7394% (0.25   0.02   0.02) =   0.004%
          QG2   ILE  103 - QD    PHE   72  10.93 +/- 0.36   0.285% *  0.9152% (0.31   0.02   0.02) =   0.003%
          QG2   VAL  108 - QD    PHE   72  13.02 +/- 0.39   0.100% *  0.4575% (0.15   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 187 (0.79, 6.69, 132.41 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 5.27, residual support = 27.4:
          QD2   LEU   73 - QD    PHE   72   4.31 +/- 0.09  77.748% * 98.8960% (0.95   5.27  27.39) =  99.976%  kept
          QG1   VAL   43 - QD    PHE   72   5.72 +/- 0.60  16.231% *  0.0612% (0.15   0.02   0.02) =   0.013%
          QG1   VAL   41 - QD    PHE   72   6.78 +/- 0.28   5.216% *  0.1102% (0.28   0.02   0.02) =   0.007%
          QD1   ILE   56 - QD    PHE   72  10.40 +/- 0.17   0.399% *  0.3929% (0.99   0.02   0.02) =   0.002%
          HG    LEU   31 - QD    PHE   72  11.38 +/- 0.84   0.272% *  0.3311% (0.84   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - QD    PHE   72  12.54 +/- 0.55   0.133% *  0.2086% (0.53   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 188 (0.41, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.86, residual support = 40.1:
        T QB    ALA   64 - QD    PHE   72   2.08 +/- 0.28  99.982% * 99.9101% (0.80   4.86  40.06) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   72   9.35 +/- 0.31   0.018% *  0.0899% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.18 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 = 4.44, residual support = 43.5:
        T QG2   VAL   70 - QD    PHE   72   2.66 +/- 0.21 100.000% *100.0000% (0.65   4.44  43.50) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 190 (2.86, 6.99, 130.46 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.05, residual support = 40.1:
        T HA    ALA   64 - QE    PHE   72   2.76 +/- 0.15  99.848% * 97.6948% (0.38   4.05  40.06) =  99.998%  kept
          QE    LYS+  66 - QE    PHE   72   8.27 +/- 0.39   0.148% *  1.0301% (0.80   0.02   0.02) =   0.002%
          HB3   ASN   35 - QE    PHE   72  15.06 +/- 0.33   0.004% *  1.2751% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 191 (2.21, 6.99, 130.46 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.26, residual support = 43.5:
        T HB    VAL   70 - QE    PHE   72   2.01 +/- 0.35  99.896% * 98.2835% (0.99   4.26  43.50) = 100.000%  kept
        T QG    GLN   17 - QE    PHE   72   8.67 +/- 0.20   0.036% *  0.4490% (0.97   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    PHE   72   8.98 +/- 0.34   0.032% *  0.3886% (0.84   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    PHE   72   9.54 +/- 0.28   0.027% *  0.0718% (0.15   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   72  13.19 +/- 0.68   0.003% *  0.1746% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QE    PHE   72  13.19 +/- 0.34   0.004% *  0.0718% (0.15   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QE    PHE   72  15.05 +/- 0.75   0.001% *  0.1436% (0.31   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QE    PHE   72  19.05 +/- 0.37   0.000% *  0.4172% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 192 (1.99, 6.99, 130.46 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 2.96, residual support = 35.2:
        T HB2   LEU   67 - QE    PHE   72   2.56 +/- 0.32  98.937% * 93.3029% (0.45   2.96  35.19) =  99.995%  kept
          HB    VAL   18 - QE    PHE   72   6.43 +/- 1.03   0.709% *  0.3134% (0.22   0.02   3.52) =   0.002%
          HG2   PRO   68 - QE    PHE   72   8.42 +/- 0.25   0.089% *  1.1271% (0.80   0.02   0.02) =   0.001%
          HB    ILE   19 - QE    PHE   72   8.62 +/- 0.21   0.084% *  1.0221% (0.73   0.02   0.02) =   0.001%
          HB2   LEU  115 - QE    PHE   72  10.93 +/- 0.42   0.020% *  1.1757% (0.84   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    PHE   72   8.92 +/- 0.69   0.081% *  0.2465% (0.18   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    PHE   72   9.19 +/- 0.26   0.056% *  0.2465% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   58 - QE    PHE   72  12.20 +/- 0.35   0.011% *  1.2209% (0.87   0.02   0.02) =   0.000%
          QB    GLU- 114 - QE    PHE   72  11.84 +/- 0.23   0.013% *  0.9105% (0.65   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    PHE   72  19.40 +/- 0.42   0.001% *  0.4344% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 193 (1.41, 6.99, 130.46 ppm):
    11 chemical-shift based assignments, quality = 0.375, support = 2.96, residual support = 35.2:
          HB3   LEU   67 - QE    PHE   72   2.92 +/- 0.28  97.799% * 88.9298% (0.38   2.96  35.19) =  99.981%  kept
          QB    ALA   61 - QE    PHE   72   6.39 +/- 0.33   0.978% *  0.8432% (0.53   0.02   0.02) =   0.009%
          QG    LYS+  66 - QE    PHE   72   6.66 +/- 0.35   0.830% *  0.3568% (0.22   0.02   0.02) =   0.003%
          QB    LEU   98 - QE    PHE   72   9.08 +/- 0.25   0.130% *  1.0367% (0.65   0.02   0.02) =   0.002%
          HG12  ILE   19 - QE    PHE   72   9.54 +/- 0.55   0.092% *  1.3386% (0.84   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QE    PHE   72  10.05 +/- 0.60   0.072% *  1.4794% (0.92   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QE    PHE   72  10.43 +/- 0.21   0.052% *  1.4372% (0.90   0.02   0.02) =   0.001%
          QB    ALA  110 - QE    PHE   72  11.29 +/- 0.39   0.032% *  1.2247% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    PHE   72  16.13 +/- 0.90   0.004% *  1.5884% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    PHE   72  15.83 +/- 0.90   0.005% *  1.1637% (0.73   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    PHE   72  15.25 +/- 1.35   0.007% *  0.6015% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.09 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 = 0.411, support = 4.0, residual support = 35.2:
        T QD1   LEU   67 - QE    PHE   72   2.15 +/- 0.15  99.251% * 96.6039% (0.41   4.00  35.19) =  99.996%  kept
          QD2   LEU   40 - QE    PHE   72   5.13 +/- 0.32   0.660% *  0.5269% (0.45   0.02   0.02) =   0.004%
        T QD1   ILE  119 - QE    PHE   72   8.02 +/- 0.38   0.039% *  0.6184% (0.53   0.02   0.02) =   0.000%
          HB    VAL   75 - QE    PHE   72  11.04 +/- 0.60   0.006% *  1.1520% (0.98   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    PHE   72   9.02 +/- 0.33   0.021% *  0.2931% (0.25   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    PHE   72  10.28 +/- 0.33   0.009% *  0.3628% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QE    PHE   72  10.15 +/- 0.74   0.011% *  0.2617% (0.22   0.02   0.02) =   0.000%
          QG2   VAL  108 - QE    PHE   72  12.47 +/- 0.34   0.003% *  0.1813% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.87 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 = 0.676, support = 4.34, residual support = 21.1:
          HB3   LEU   63 - QE    PHE   72   2.61 +/- 1.08  66.047% * 77.4477% (0.73   4.28  18.81) =  90.820%  kept
          QG1   VAL   70 - QE    PHE   72   3.11 +/- 0.34  23.669% * 21.7795% (0.18   4.99  43.50) =   9.153%  kept
          QD1   LEU   40 - QE    PHE   72   3.40 +/- 0.31   9.753% *  0.1540% (0.31   0.02   0.02) =   0.027%
          QG1   VAL   18 - QE    PHE   72   5.81 +/- 0.34   0.527% *  0.1244% (0.25   0.02   3.52) =   0.001%
          QG1   VAL  108 - QE    PHE   72  13.38 +/- 0.31   0.004% *  0.4944% (0.99   0.02   0.02) =   0.000%
    Distance limit 5.08 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 = 0.914, support = 3.59, residual support = 18.8:
          QD1   LEU   63 - QE    PHE   72   3.05 +/- 0.65  73.376% * 53.3492% (0.98   3.42  18.81) =  77.541%  kept
          QD2   LEU   63 - QE    PHE   72   3.67 +/- 0.43  24.809% * 45.6912% (0.69   4.18  18.81) =  22.454%  kept
          QD1   LEU   73 - QE    PHE   72   8.04 +/- 0.21   0.305% *  0.3118% (0.98   0.02  27.39) =   0.002%
          QD2   LEU  115 - QE    PHE   72   8.35 +/- 0.60   0.273% *  0.2310% (0.73   0.02   0.02) =   0.001%
          QG2   VAL   41 - QE    PHE   72   6.71 +/- 0.25   0.924% *  0.0557% (0.18   0.02   0.02) =   0.001%
          QD1   LEU  104 - QE    PHE   72   8.38 +/- 0.77   0.300% *  0.1426% (0.45   0.02   0.02) =   0.001%
          QD2   LEU   80 - QE    PHE   72  13.48 +/- 0.81   0.013% *  0.2185% (0.69   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 198 (0.38, 6.99, 130.46 ppm):
    4 chemical-shift based assignments, quality = 0.685, support = 4.25, residual support = 39.9:
          QB    ALA   64 - QE    PHE   72   2.79 +/- 0.35  51.320% * 99.1260% (0.69   4.26  40.06) =  99.686%  kept
          QG1   VAL   42 - QE    PHE   72   2.77 +/- 0.33  48.672% *  0.3295% (0.49   0.02   5.58) =   0.314%
          QB    ALA   47 - QE    PHE   72  13.36 +/- 0.37   0.004% *  0.4106% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QE    PHE   72  13.15 +/- 0.33   0.004% *  0.1340% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 199 (0.19, 6.99, 130.46 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 4.44, residual support = 43.5:
        T QG2   VAL   70 - QE    PHE   72   2.05 +/- 0.16 100.000% *100.0000% (0.90   4.44  43.50) = 100.000%  kept
    Distance limit 5.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 200 (2.85, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 2.83, residual support = 40.1:
        T HA    ALA   64 - HZ    PHE   72   3.19 +/- 0.25  99.701% * 98.5358% (0.65   2.83  40.06) =  99.998%  kept
          QE    LYS+  66 - HZ    PHE   72   8.55 +/- 0.48   0.296% *  0.5659% (0.53   0.02   0.02) =   0.002%
          HB3   ASN   35 - HZ    PHE   72  17.92 +/- 0.39   0.004% *  0.8984% (0.84   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 201 (2.20, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 4.04, residual support = 43.5:
        T HB    VAL   70 - HZ    PHE   72   3.99 +/- 0.12  99.261% * 98.4067% (0.92   4.04  43.50) =  99.997%  kept
        T QG    GLN   17 - HZ    PHE   72  10.40 +/- 0.26   0.326% *  0.5094% (0.97   0.02   0.02) =   0.002%
        T HB2   MET   96 - HZ    PHE   72  10.29 +/- 0.35   0.348% *  0.2777% (0.53   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HZ    PHE   72  15.63 +/- 0.52   0.029% *  0.1981% (0.38   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HZ    PHE   72  15.44 +/- 0.77   0.032% *  0.0814% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HZ    PHE   72  22.43 +/- 0.42   0.003% *  0.5267% (1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 202 (1.99, 6.71, 127.90 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 2.96, residual support = 35.2:
        T HB2   LEU   67 - HZ    PHE   72   2.77 +/- 0.37  99.530% * 93.3029% (0.45   2.96  35.19) =  99.997%  kept
          HG2   PRO   68 - HZ    PHE   72   9.21 +/- 0.29   0.098% *  1.1271% (0.80   0.02   0.02) =   0.001%
          HB    VAL   18 - HZ    PHE   72   8.29 +/- 1.19   0.213% *  0.3134% (0.22   0.02   3.52) =   0.001%
          HB    ILE   19 - HZ    PHE   72  10.72 +/- 0.24   0.042% *  1.0221% (0.73   0.02   0.02) =   0.000%
          HB2   LEU  115 - HZ    PHE   72  12.21 +/- 0.54   0.018% *  1.1757% (0.84   0.02   0.02) =   0.000%
          QB    GLU- 114 - HZ    PHE   72  12.91 +/- 0.37   0.013% *  0.9105% (0.65   0.02   0.02) =   0.000%
          QB    GLU-  15 - HZ    PHE   72  10.88 +/- 0.72   0.043% *  0.2465% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   58 - HZ    PHE   72  14.43 +/- 0.40   0.007% *  1.2209% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   17 - HZ    PHE   72  11.12 +/- 0.33   0.034% *  0.2465% (0.18   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HZ    PHE   72  22.82 +/- 0.47   0.000% *  0.4344% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 203 (1.41, 6.71, 127.90 ppm):
    11 chemical-shift based assignments, quality = 0.375, support = 2.96, residual support = 35.2:
          HB3   LEU   67 - HZ    PHE   72   3.42 +/- 0.65  96.357% * 88.9298% (0.38   2.96  35.19) =  99.974%  kept
          QG    LYS+  66 - HZ    PHE   72   6.79 +/- 0.43   2.322% *  0.3568% (0.22   0.02   0.02) =   0.010%
          QB    ALA   61 - HZ    PHE   72   8.19 +/- 0.27   0.763% *  0.8432% (0.53   0.02   0.02) =   0.008%
          HD3   LYS+ 121 - HZ    PHE   72  10.19 +/- 0.74   0.215% *  1.4794% (0.92   0.02   0.02) =   0.004%
          QB    LEU   98 - HZ    PHE   72  10.61 +/- 0.27   0.151% *  1.0367% (0.65   0.02   0.02) =   0.002%
          HG12  ILE   19 - HZ    PHE   72  11.79 +/- 0.60   0.083% *  1.3386% (0.84   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HZ    PHE   72  12.83 +/- 0.22   0.048% *  1.4372% (0.90   0.02   0.02) =   0.001%
          QB    ALA  110 - HZ    PHE   72  13.16 +/- 0.51   0.044% *  1.2247% (0.76   0.02   0.02) =   0.001%
          HB2   LEU   80 - HZ    PHE   72  18.94 +/- 1.02   0.005% *  1.5884% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - HZ    PHE   72  18.65 +/- 1.01   0.005% *  1.1637% (0.73   0.02   0.02) =   0.000%
          QB    ALA   12 - HZ    PHE   72  17.81 +/- 1.53   0.008% *  0.6015% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 204 (1.00, 6.71, 127.90 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 4.0, residual support = 35.2:
        T QD1   LEU   67 - HZ    PHE   72   1.87 +/- 0.11  99.896% * 96.6013% (0.41   4.00  35.19) =  99.999%  kept
          QD2   LEU   40 - HZ    PHE   72   6.15 +/- 0.26   0.084% *  0.5273% (0.45   0.02   0.02) =   0.000%
        T QD1   ILE  119 - HZ    PHE   72   8.78 +/- 0.43   0.010% *  0.6188% (0.53   0.02   0.02) =   0.000%
          HB2   LEU  104 - HZ    PHE   72   9.91 +/- 0.42   0.005% *  0.2933% (0.25   0.02   0.02) =   0.000%
        T HB    VAL   75 - HZ    PHE   72  13.22 +/- 0.66   0.001% *  1.1529% (0.98   0.02   0.02) =   0.000%
          QG2   ILE  103 - HZ    PHE   72  11.28 +/- 0.37   0.002% *  0.3630% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HZ    PHE   72  12.63 +/- 0.80   0.001% *  0.2619% (0.22   0.02   0.02) =   0.000%
          QG2   VAL  108 - HZ    PHE   72  13.82 +/- 0.42   0.001% *  0.1815% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 0.905, support = 3.27, residual support = 20.6:
        T HB3   LEU   63 - HZ    PHE   72   2.87 +/- 0.89  81.239% * 73.2785% (0.95   3.30  18.81) =  92.786%  kept
        T QG1   VAL   70 - HZ    PHE   72   4.30 +/- 0.56  17.854% * 25.9138% (0.38   2.94  43.50) =   7.211%  kept
          QG1   VAL   18 - HZ    PHE   72   7.46 +/- 0.39   0.580% *  0.2289% (0.49   0.02   3.52) =   0.002%
          QD1   LEU  123 - HZ    PHE   72   8.73 +/- 0.45   0.197% *  0.0930% (0.20   0.02   0.02) =   0.000%
          QD1   LEU   71 - HZ    PHE   72   9.58 +/- 0.50   0.119% *  0.0930% (0.20   0.02  19.33) =   0.000%
          QG1   VAL  108 - HZ    PHE   72  15.01 +/- 0.41   0.010% *  0.3927% (0.84   0.02   0.02) =   0.000%
    Distance limit 5.30 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 = 0.793, support = 2.46, residual support = 18.8:
          QD2   LEU   63 - HZ    PHE   72   3.28 +/- 1.03  69.563% * 42.1231% (0.69   2.51  18.81) =  63.736%  kept
          QD1   LEU   63 - HZ    PHE   72   3.75 +/- 0.65  29.554% * 56.4056% (0.98   2.36  18.81) =  36.260%  kept
          QD2   LEU  115 - HZ    PHE   72   9.25 +/- 0.66   0.185% *  0.3542% (0.73   0.02   0.02) =   0.001%
          QD1   LEU   73 - HZ    PHE   72   9.88 +/- 0.26   0.117% *  0.4781% (0.98   0.02  27.39) =   0.001%
          QD1   LEU  104 - HZ    PHE   72   9.39 +/- 0.88   0.244% *  0.2187% (0.45   0.02   0.02) =   0.001%
          QG2   VAL   41 - HZ    PHE   72   8.32 +/- 0.22   0.330% *  0.0854% (0.18   0.02   0.02) =   0.001%
          QD2   LEU   80 - HZ    PHE   72  15.88 +/- 0.92   0.007% *  0.3350% (0.69   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 207 (0.19, 6.71, 127.90 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 4.43, residual support = 43.5:
        T QG2   VAL   70 - HZ    PHE   72   3.89 +/- 0.39 100.000% *100.0000% (0.90   4.43  43.50) = 100.000%  kept
    Distance limit 5.50 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 = 1.89, residual support = 65.7:
      O   HE1   TRP   87 - HD1   TRP   87   2.64 +/- 0.00 100.000% *100.0000% (0.98   1.89  65.68) = 100.000%  kept
    Distance limit 4.62 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 = 65.7:
      O   HE1   TRP   87 - HZ2   TRP   87   2.85 +/- 0.00  99.999% * 99.9133% (0.98   1.00  65.68) = 100.000%  kept
          HE1   TRP   87 - HN    ILE   56  20.81 +/- 0.44   0.001% *  0.0867% (0.04   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 65.7:
      O T HZ3   TRP   87 - HE3   TRP   87   2.49 +/- 0.00  99.950% * 97.2747% (0.98   1.00  65.68) =  99.999%  kept
          QD    PHE   97 - HE3   TRP   87   8.90 +/- 0.37   0.050% *  1.9804% (1.00   0.02   0.02) =   0.001%
          HE3   TRP   49 - HE3   TRP   87  21.73 +/- 0.33   0.000% *  0.7449% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.48 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 = 65.7:
      O   HZ2   TRP   87 - HH2   TRP   87   2.52 +/- 0.00  99.985% * 95.7740% (0.99   1.00  65.68) = 100.000%  kept
          HD21  ASN   28 - HH2   TRP   87  11.84 +/- 0.62   0.010% *  1.8943% (0.98   0.02   0.02) =   0.000%
          QE    PHE   60 - HH2   TRP   87  13.90 +/- 0.74   0.004% *  0.9407% (0.49   0.02   0.02) =   0.000%
          HN    LEU   63 - HH2   TRP   87  18.38 +/- 0.41   0.001% *  0.7945% (0.41   0.02   0.02) =   0.000%
          HN    ILE   56 - HH2   TRP   87  20.99 +/- 0.38   0.000% *  0.5965% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 212 (7.22, 7.61, 114.70 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 1.0, residual support = 65.7:
      O   HH2   TRP   87 - HZ2   TRP   87   2.52 +/- 0.00  98.917% * 97.3925% (0.90   1.00  65.68) = 100.000%  kept
          HN    PHE   59 - HN    ILE   56   5.36 +/- 0.09   1.081% *  0.0262% (0.01   0.02  18.79) =   0.000%
          HN    HIS  122 - HZ2   TRP   87  20.89 +/- 0.49   0.000% *  1.8141% (0.84   0.02   0.02) =   0.000%
          HN    PHE   59 - HZ2   TRP   87  21.37 +/- 0.33   0.000% *  0.6039% (0.28   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    ILE   56  16.44 +/- 0.20   0.001% *  0.0787% (0.04   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE   56  20.99 +/- 0.38   0.000% *  0.0845% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 213 (6.74, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 0.75, residual support = 6.25:
          HZ2   TRP   27 - HZ2   TRP   87   2.42 +/- 0.29  99.995% * 99.3931% (0.87   0.75   6.25) = 100.000%  kept
          HZ    PHE   72 - HZ2   TRP   87  15.36 +/- 0.38   0.002% *  0.4715% (0.15   0.02   0.02) =   0.000%
          HZ    PHE   72 - HN    ILE   56  14.44 +/- 0.45   0.003% *  0.0205% (0.01   0.02   0.02) =   0.000%
          HZ2   TRP   27 - HN    ILE   56  20.04 +/- 0.49   0.000% *  0.1150% (0.04   0.02   0.02) =   0.000%
    Distance limit 5.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 214 (7.35, 7.13, 121.44 ppm):
    7 chemical-shift based assignments, quality = 0.553, support = 0.0191, residual support = 0.0191:
          QE    PHE   95 - HZ3   TRP   87  12.47 +/- 0.38  39.627% * 10.8062% (0.49   0.02   0.02) =  34.909%  kept
          HD21  ASN   35 - HZ3   TRP   87  12.85 +/- 0.95  34.695% * 11.6802% (0.53   0.02   0.02) =  33.036%  kept
          HD2   HIS   22 - HZ3   TRP   87  16.98 +/- 1.34   6.703% * 20.4937% (0.92   0.02   0.02) =  11.199%  kept
          HN    THR   23 - HZ3   TRP   87  15.33 +/- 0.46  11.416% * 11.6802% (0.53   0.02   0.02) =  10.870%  kept
          HN    LEU   67 - HZ3   TRP   87  18.80 +/- 0.53   3.344% * 19.9101% (0.90   0.02   0.02) =   5.427%  kept
          HD1   TRP   49 - HZ3   TRP   87  20.10 +/- 0.42   2.233% * 22.0041% (0.99   0.02   0.02) =   4.005%
          QD    PHE   55 - HZ3   TRP   87  20.55 +/- 0.56   1.983% *  3.4254% (0.15   0.02   0.02) =   0.554%
    Distance limit 4.73 A violated in 20 structures by 5.99 A, eliminated.
    Peak unassigned.
 
    Peak 215 (8.29, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 3.73, residual support = 22.3:
          HN    ASP-  86 - HD1   TRP   87   4.01 +/- 0.11  99.700% * 97.7159% (0.38   3.73  22.29) =  99.998%  kept
          HN    GLU-  29 - HD1   TRP   87  11.97 +/- 0.35   0.144% *  1.1183% (0.80   0.02   0.02) =   0.002%
          HN    GLN   30 - HD1   TRP   87  11.92 +/- 0.23   0.146% *  0.4310% (0.31   0.02   0.02) =   0.001%
          HN    VAL   18 - HD1   TRP   87  18.79 +/- 0.38   0.010% *  0.7348% (0.53   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 2.24:
          QD1   LEU   31 - HH2   TRP   87   4.25 +/- 0.07 100.000% *100.0000% (0.80   0.75   2.24) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 217 (0.56, 7.23, 124.80 ppm):
    8 chemical-shift based assignments, quality = 0.526, support = 2.0, residual support = 3.48:
          QD2   LEU   98 - HH2   TRP   87   2.62 +/- 0.66  97.196% * 93.8318% (0.53   2.00   3.48) =  99.963%  kept
          QG2   VAL   41 - HH2   TRP   87   5.28 +/- 0.42   2.368% *  1.2951% (0.73   0.02   0.02) =   0.034%
          QD1   LEU   73 - HH2   TRP   87   7.94 +/- 0.49   0.259% *  0.7996% (0.45   0.02   0.02) =   0.002%
          QD1   LEU   80 - HH2   TRP   87  10.66 +/- 1.01   0.078% *  0.9383% (0.53   0.02   0.02) =   0.001%
          QD2   LEU   63 - HH2   TRP   87  13.43 +/- 0.85   0.011% *  1.7481% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   80 - HH2   TRP   87  10.14 +/- 0.84   0.068% *  0.2752% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   63 - HH2   TRP   87  12.30 +/- 0.45   0.018% *  0.7996% (0.45   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HH2   TRP   87  16.38 +/- 0.40   0.003% *  0.3123% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 218 (0.72, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 0.75, residual support = 3.48:
          QD1   LEU   98 - HH2   TRP   87   2.92 +/- 0.64  99.714% * 94.3481% (0.76   0.75   3.48) =  99.993%  kept
          QD2   LEU  104 - HH2   TRP   87   9.23 +/- 0.81   0.238% *  2.3906% (0.73   0.02   0.02) =   0.006%
          QD1   ILE   19 - HH2   TRP   87  13.52 +/- 0.27   0.018% *  1.8639% (0.57   0.02   0.02) =   0.000%
          QG2   THR   46 - HH2   TRP   87  13.52 +/- 0.53   0.016% *  0.8209% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   18 - HH2   TRP   87  14.09 +/- 0.85   0.014% *  0.5766% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 220 (3.41, 7.71, 120.66 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.02, residual support = 65.7:
      O T HB2   TRP   87 - HE3   TRP   87   2.60 +/- 0.04  99.998% * 99.3421% (1.00   3.02  65.68) = 100.000%  kept
        T HB2   PHE   60 - HE3   TRP   87  16.31 +/- 0.45   0.002% *  0.6579% (1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.786, support = 0.0632, residual support = 0.02:
        T QD1   ILE  103 - HE3   TRP   87   4.34 +/- 0.70  89.726% * 14.8002% (0.95   0.02   0.02) =  76.199%  kept
          QG2   ILE  103 - HE3   TRP   87   6.54 +/- 0.42   9.277% * 44.2742% (0.28   0.20   0.02) =  23.568%  kept
          QD2   LEU   40 - HE3   TRP   87  10.18 +/- 0.34   0.698% *  2.7400% (0.18   0.02   0.02) =   0.110%
          QD2   LEU   71 - HE3   TRP   87  14.88 +/- 0.87   0.072% * 13.5715% (0.87   0.02   0.02) =   0.056%
          QD1   LEU   67 - HE3   TRP   87  13.28 +/- 0.36   0.144% *  3.0963% (0.20   0.02   0.02) =   0.026%
          QG2   ILE  119 - HE3   TRP   87  17.73 +/- 0.31   0.025% * 15.6457% (1.00   0.02   0.02) =   0.022%
          HG3   LYS+  74 - HE3   TRP   87  15.62 +/- 0.54   0.058% *  5.8720% (0.38   0.02   0.02) =   0.020%
    Distance limit 5.50 A violated in 1 structures by 0.03 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 222 (4.35, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.15, residual support = 65.7:
          HA    TRP   87 - HD1   TRP   87   4.18 +/- 0.06  99.949% * 99.0874% (0.80   4.15  65.68) = 100.000%  kept
          HA    LYS+  99 - HD1   TRP   87  15.30 +/- 0.37   0.043% *  0.0920% (0.15   0.02   0.02) =   0.000%
          HA    PHE   59 - HD1   TRP   87  21.31 +/- 0.41   0.006% *  0.5754% (0.97   0.02   0.02) =   0.000%
          HA    ASP- 113 - HD1   TRP   87  23.84 +/- 0.34   0.003% *  0.2451% (0.41   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 17.9:
        T HA    VAL   83 - HD1   TRP   87   3.48 +/- 0.14  99.078% * 97.7276% (0.41   4.31  17.88) =  99.996%  kept
        T HA    VAL   24 - HD1   TRP   87   7.65 +/- 0.30   0.908% *  0.4137% (0.38   0.02   0.02) =   0.004%
        T HA    LYS+  38 - HD1   TRP   87  18.52 +/- 0.50   0.005% *  0.9885% (0.90   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD1   TRP   87  17.00 +/- 0.59   0.007% *  0.4942% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD1   TRP   87  21.93 +/- 0.49   0.002% *  0.3760% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 3.96, residual support = 65.7:
      O   HB2   TRP   87 - HD1   TRP   87   3.80 +/- 0.02  99.988% * 99.4977% (1.00   3.96  65.68) = 100.000%  kept
        T HB2   PHE   60 - HD1   TRP   87  17.24 +/- 0.44   0.012% *  0.5023% (1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 22.3:
        T HB2   ASP-  86 - HD1   TRP   87   3.30 +/- 0.18  99.856% * 98.0725% (1.00   3.60  22.29) =  99.999%  kept
        T HB2   ASN   28 - HD1   TRP   87  10.71 +/- 0.58   0.094% *  0.4560% (0.84   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HD1   TRP   87  14.88 +/- 0.71   0.013% *  0.4371% (0.80   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD1   TRP   87  15.82 +/- 0.98   0.009% *  0.3964% (0.73   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD1   TRP   87  13.13 +/- 0.33   0.027% *  0.1215% (0.22   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD1   TRP   87  22.57 +/- 1.08   0.001% *  0.5164% (0.95   0.02   0.02) =   0.000%
    Distance limit 5.08 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 = 3.49, residual support = 65.7:
      O   HB3   TRP   87 - HD1   TRP   87   2.68 +/- 0.02  99.886% * 95.8742% (0.25   3.49  65.68) =  99.999%  kept
          HG3   MET   96 - HD1   TRP   87   8.63 +/- 0.65   0.112% *  1.2468% (0.57   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HD1   TRP   87  19.74 +/- 0.66   0.001% *  1.7634% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HD1   TRP   87  22.39 +/- 0.56   0.000% *  0.4358% (0.20   0.02   0.02) =   0.000%
          HG3   GLN  116 - HD1   TRP   87  24.83 +/- 0.41   0.000% *  0.6797% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.06 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 = 0.897, support = 3.21, residual support = 17.9:
        T QG2   VAL   83 - HD1   TRP   87   1.96 +/- 0.45  98.634% * 98.8123% (0.90   3.21  17.88) =  99.995%  kept
          QD1   ILE   89 - HD1   TRP   87   5.38 +/- 0.35   0.849% *  0.4446% (0.65   0.02  13.62) =   0.004%
          QD2   LEU   31 - HD1   TRP   87   7.55 +/- 0.31   0.083% *  0.6501% (0.95   0.02   2.24) =   0.001%
          QG2   VAL   43 - HD1   TRP   87   6.05 +/- 0.54   0.434% *  0.0930% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 228 (0.62, 7.75, 128.42 ppm):
    3 chemical-shift based assignments, quality = 0.725, support = 1.5, residual support = 17.9:
          QG1   VAL   83 - HD1   TRP   87   4.02 +/- 0.35  92.060% * 97.8019% (0.73   1.50  17.88) =  99.851%  kept
        T QG2   ILE   89 - HD1   TRP   87   6.14 +/- 0.13   7.899% *  1.6988% (0.95   0.02  13.62) =   0.149%
          QD1   LEU  104 - HD1   TRP   87  14.87 +/- 0.78   0.040% *  0.4993% (0.28   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.522, support = 0.744, residual support = 3.45:
          QD2   LEU   98 - HZ2   TRP   87   3.96 +/- 0.36  78.381% * 84.4550% (0.53   0.75   3.48) =  99.261%  kept
          QG2   VAL   41 - HZ2   TRP   87   5.42 +/- 0.30  12.714% *  3.1084% (0.73   0.02   0.02) =   0.593%
          QD1   LEU   73 - HZ2   TRP   87   6.92 +/- 0.44   3.197% *  1.9191% (0.45   0.02   0.02) =   0.092%
          QD1   LEU   80 - HZ2   TRP   87   8.84 +/- 1.00   0.994% *  2.2521% (0.53   0.02   0.02) =   0.034%
          QD2   LEU   80 - HZ2   TRP   87   8.22 +/- 0.83   1.336% *  0.6605% (0.15   0.02   0.02) =   0.013%
          QD2   LEU   63 - HZ2   TRP   87  14.42 +/- 0.82   0.037% *  4.1959% (0.98   0.02   0.02) =   0.002%
          QD1   LEU   63 - HZ2   TRP   87  13.15 +/- 0.48   0.063% *  1.9191% (0.45   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    ILE   56   7.28 +/- 0.15   2.160% *  0.0325% (0.01   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    ILE   56   8.77 +/- 0.39   0.731% *  0.0833% (0.02   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    ILE   56  10.53 +/- 0.93   0.304% *  0.1821% (0.04   0.02   0.02) =   0.001%
          QD2   LEU  115 - HZ2   TRP   87  17.45 +/- 0.39   0.011% *  0.7497% (0.18   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ILE   56  16.62 +/- 0.33   0.016% *  0.1349% (0.03   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ILE   56  16.82 +/- 1.46   0.017% *  0.0977% (0.02   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    ILE   56  16.96 +/- 1.15   0.014% *  0.0977% (0.02   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ILE   56  16.53 +/- 0.34   0.016% *  0.0833% (0.02   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ILE   56  17.60 +/- 0.86   0.011% *  0.0287% (0.01   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 230 (0.03, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.154, support = 0.749, residual support = 2.24:
          QD1   LEU   31 - HZ2   TRP   87   3.05 +/- 0.12  97.984% * 92.4210% (0.15   0.75   2.24) =  99.843%  kept
          QG2   VAL   43 - HZ2   TRP   87   6.10 +/- 0.55   1.992% *  7.1612% (0.45   0.02   0.02) =   0.157%
          QG2   VAL   43 - HN    ILE   56  12.47 +/- 0.40   0.022% *  0.3108% (0.02   0.02   0.02) =   0.000%
          QD1   LEU   31 - HN    ILE   56  18.98 +/- 0.57   0.002% *  0.1070% (0.01   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 231 (4.57, 7.11, 121.95 ppm):
    7 chemical-shift based assignments, quality = 0.712, support = 2.67, residual support = 73.3:
          HA    TRP   49 - HE3   TRP   49   4.70 +/- 0.07  77.744% * 59.9834% (0.69   2.86  84.72) =  86.245%  kept
          HA    CYS   50 - HE3   TRP   49   5.93 +/- 0.08  19.422% * 38.2274% (0.87   1.44   1.83) =  13.731%  kept
          HA    ALA   47 - HE3   TRP   49   8.35 +/- 0.24   2.551% *  0.4665% (0.76   0.02  16.92) =   0.022%
          HA1   GLY  109 - HE3   TRP   49  12.38 +/- 0.33   0.236% *  0.5099% (0.84   0.02   0.02) =   0.002%
          HA    VAL  108 - HE3   TRP   49  16.69 +/- 0.34   0.039% *  0.3949% (0.65   0.02   0.02) =   0.000%
          HA    CYS   21 - HE3   TRP   49  22.12 +/- 0.34   0.007% *  0.2971% (0.49   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HE3   TRP   49  31.03 +/- 0.27   0.001% *  0.1208% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 232 (7.36, 7.11, 121.95 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.45, residual support = 84.7:
          HD1   TRP   49 - HE3   TRP   49   5.08 +/- 0.00  99.643% * 98.1666% (1.00   3.45  84.72) =  99.999%  kept
          QE    PHE   95 - HE3   TRP   49  13.44 +/- 0.34   0.295% *  0.2141% (0.38   0.02   0.02) =   0.001%
          HD2   HIS   22 - HE3   TRP   49  19.08 +/- 1.38   0.039% *  0.5591% (0.98   0.02   0.02) =   0.000%
          HN    THR   23 - HE3   TRP   49  22.03 +/- 0.44   0.015% *  0.2345% (0.41   0.02   0.02) =   0.000%
          HN    LEU   67 - HE3   TRP   49  25.16 +/- 0.24   0.007% *  0.4567% (0.80   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE3   TRP   49  33.98 +/- 1.01   0.001% *  0.3690% (0.65   0.02   0.02) =   0.000%
    Distance limit 5.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 233 (7.34, 7.18, 125.21 ppm):
    8 chemical-shift based assignments, quality = 0.763, support = 0.0194, residual support = 73.9:
          HD1   TRP   49 - HH2   TRP   49   6.66 +/- 0.00  75.974% * 16.7579% (0.84   0.02  84.72) =  87.215%  kept
          QD    PHE   55 - HH2   TRP   49   8.41 +/- 0.82  21.356% *  6.8436% (0.34   0.02   0.02) =  10.012%  kept
          QE    PHE   95 - HH2   TRP   49  11.86 +/- 0.55   2.458% * 15.3326% (0.76   0.02   0.02) =   2.582%
          HD2   HIS   22 - HH2   TRP   49  20.79 +/- 1.48   0.090% * 13.7814% (0.69   0.02   0.02) =   0.085%
          HN    THR   23 - HH2   TRP   49  23.32 +/- 0.54   0.042% * 16.0651% (0.80   0.02   0.02) =   0.046%
          HN    LEU   67 - HH2   TRP   49  24.61 +/- 0.34   0.030% * 20.0629% (1.00   0.02   0.02) =   0.041%
          HE3   TRP   27 - HH2   TRP   49  23.02 +/- 0.59   0.045% *  5.5782% (0.28   0.02   0.02) =   0.017%
          HD21  ASN   35 - HH2   TRP   49  33.33 +/- 1.08   0.005% *  5.5782% (0.28   0.02   0.02) =   0.002%
    Distance limit 5.14 A violated in 20 structures by 1.24 A, eliminated.
    Peak unassigned.
 
    Peak 234 (4.57, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.731, support = 3.59, residual support = 58.5:
          HA    TRP   49 - HD1   TRP   49   4.06 +/- 0.08  46.359% * 44.6598% (0.69   4.36  84.72) =  65.084%  kept
          HA    ALA   47 - HD1   TRP   49   4.14 +/- 0.11  40.379% * 14.4539% (0.76   1.27  16.92) =  18.347%  kept
          HA    CYS   50 - HD1   TRP   49   5.08 +/- 0.39  13.097% * 40.2400% (0.87   3.11   1.83) =  16.568%  kept
          HA1   GLY  109 - HD1   TRP   49  10.71 +/- 0.43   0.139% *  0.2491% (0.84   0.02   0.02) =   0.001%
          HA    VAL  108 - HD1   TRP   49  14.65 +/- 0.48   0.021% *  0.1929% (0.65   0.02   0.02) =   0.000%
          HA    CYS   21 - HD1   TRP   49  18.62 +/- 0.47   0.005% *  0.1452% (0.49   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD1   TRP   49  27.80 +/- 0.32   0.000% *  0.0590% (0.20   0.02   0.02) =   0.000%
    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   2.87 +/- 0.38 100.000% *100.0000% (0.61   3.85  73.37) = 100.000%  kept
    Distance limit 5.50 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   2.58 +/- 0.30 100.000% *100.0000% (0.98   3.44  73.37) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 241 (4.29, 7.02, 132.19 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 2.0, residual support = 4.74:
          HA    ASP-  44 - QD    PHE   95   2.77 +/- 0.37  99.900% * 93.1915% (0.90   2.00   4.74) =  99.999%  kept
          HA    ILE  103 - QD    PHE   95  11.00 +/- 0.22   0.032% *  0.7546% (0.73   0.02   0.02) =   0.000%
          HB    THR   77 - QD    PHE   95  12.02 +/- 0.20   0.020% *  0.8679% (0.84   0.02   0.02) =   0.000%
          HA    SER   85 - QD    PHE   95  14.54 +/- 0.46   0.007% *  0.8679% (0.84   0.02   0.02) =   0.000%
          HA    LEU  104 - QD    PHE   95  11.96 +/- 0.20   0.019% *  0.2889% (0.28   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD    PHE   95  15.64 +/- 0.29   0.004% *  0.7546% (0.73   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD    PHE   95  13.64 +/- 0.17   0.009% *  0.2056% (0.20   0.02   0.02) =   0.000%
          HA    THR   39 - QD    PHE   95  15.31 +/- 0.27   0.004% *  0.2889% (0.28   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD    PHE   95  16.26 +/- 0.18   0.003% *  0.3545% (0.34   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   95  19.44 +/- 0.90   0.001% *  0.6722% (0.65   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   95  24.27 +/- 1.66   0.000% *  0.7941% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   95  26.65 +/- 2.91   0.000% *  0.9592% (0.92   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 242 (3.19, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 3.0, residual support = 73.4:
      O T HB2   PHE   95 - QD    PHE   95   2.31 +/- 0.06 100.000% *100.0000% (0.97   3.00  73.37) = 100.000%  kept
    Distance limit 5.17 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 = 73.4:
      O T HB3   PHE   95 - QD    PHE   95   2.58 +/- 0.12  99.936% * 99.2275% (0.99   3.31  73.37) = 100.000%  kept
          HG2   GLN  116 - QD    PHE   95   8.90 +/- 0.38   0.064% *  0.6045% (1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - QD    PHE   95  21.31 +/- 0.36   0.000% *  0.1681% (0.28   0.02   0.02) =   0.000%
    Distance limit 5.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (2.40, 7.02, 132.19 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.86, residual support = 50.4:
        T HB    VAL  107 - QD    PHE   95   2.16 +/- 0.11  99.875% * 98.6626% (0.92   3.86  50.43) = 100.000%  kept
          QE    LYS+ 112 - QD    PHE   95   7.39 +/- 0.34   0.064% *  0.2915% (0.53   0.02   0.02) =   0.000%
          HB3   PHE   45 - QD    PHE   95   7.51 +/- 0.20   0.059% *  0.2915% (0.53   0.02   1.89) =   0.000%
          QG    GLU-  79 - QD    PHE   95  14.69 +/- 0.58   0.001% *  0.2915% (0.53   0.02   0.02) =   0.000%
          QG    GLN   32 - QD    PHE   95  18.03 +/- 0.74   0.000% *  0.4628% (0.84   0.02   0.02) =   0.000%
    Distance limit 5.18 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 = 0.763, support = 0.749, residual support = 4.73:
          HB3   ASP-  44 - QD    PHE   95   2.34 +/- 0.42  96.539% * 77.2019% (0.76   0.75   4.74) =  99.898%  kept
          HB3   PRO   93 - QD    PHE   95   4.91 +/- 0.27   1.973% *  2.6939% (1.00   0.02   0.02) =   0.071%
          HB2   LEU   63 - QD    PHE   95   5.56 +/- 0.42   0.961% *  1.7427% (0.65   0.02   2.92) =   0.022%
          HB    VAL   42 - QD    PHE   95   6.97 +/- 0.14   0.215% *  0.8315% (0.31   0.02   1.49) =   0.002%
          HG3   LYS+ 106 - QD    PHE   95   8.25 +/- 0.56   0.073% *  1.6339% (0.61   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - QD    PHE   95   7.86 +/- 0.43   0.114% *  0.8315% (0.31   0.02   0.02) =   0.001%
          QB    ALA   84 - QD    PHE   95  10.19 +/- 0.14   0.023% *  2.6879% (1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    PHE   95  10.67 +/- 1.16   0.021% *  2.5998% (0.97   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - QD    PHE   95   9.45 +/- 0.26   0.035% *  1.3112% (0.49   0.02   0.02) =   0.001%
          HB3   LEU   73 - QD    PHE   95   9.96 +/- 0.53   0.029% *  1.0110% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD    PHE   95  12.25 +/- 0.83   0.007% *  0.8315% (0.31   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    PHE   95  14.62 +/- 0.35   0.003% *  2.4159% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    PHE   95  13.90 +/- 1.02   0.003% *  1.4173% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    PHE   95  15.81 +/- 0.46   0.002% *  1.0110% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD    PHE   95  16.47 +/- 0.58   0.001% *  1.1075% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD    PHE   95  17.68 +/- 0.32   0.001% *  0.6717% (0.25   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 246 (1.15, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 4.43, residual support = 50.4:
        T QG2   VAL  107 - QD    PHE   95   1.82 +/- 0.04  99.993% * 99.0290% (0.99   4.43  50.43) = 100.000%  kept
          HG13  ILE  103 - QD    PHE   95  10.02 +/- 0.36   0.004% *  0.3608% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD    PHE   95  11.36 +/- 0.39   0.002% *  0.3908% (0.87   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    PHE   95  11.82 +/- 0.27   0.001% *  0.2193% (0.49   0.02   0.02) =   0.000%
    Distance limit 5.14 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 = 0.895, support = 1.37, residual support = 2.91:
          QD1   LEU   63 - QD    PHE   95   3.49 +/- 0.33  85.169% * 93.3250% (0.90   1.37   2.92) =  99.809%  kept
        T QD2   LEU  115 - QD    PHE   95   5.36 +/- 0.23   7.605% *  1.5079% (0.99   0.02   4.39) =   0.144%
          QD2   LEU   63 - QD    PHE   95   5.41 +/- 0.36   6.824% *  0.4696% (0.31   0.02   2.92) =   0.040%
          QD1   LEU   73 - QD    PHE   95   9.73 +/- 0.32   0.194% *  1.3644% (0.90   0.02   0.02) =   0.003%
          QD1   LEU  104 - QD    PHE   95  10.69 +/- 0.37   0.114% *  1.2708% (0.84   0.02   0.02) =   0.002%
          QD2   LEU   80 - QD    PHE   95  12.49 +/- 0.80   0.050% *  1.4913% (0.98   0.02   0.02) =   0.001%
          QG1   VAL   83 - QD    PHE   95  12.72 +/- 0.68   0.044% *  0.5710% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 248 (0.38, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.646, support = 0.749, residual support = 1.49:
        T QG1   VAL   42 - QD    PHE   95   3.91 +/- 0.11  94.161% * 93.8162% (0.65   0.75   1.49) =  99.875%  kept
          QB    ALA   64 - QD    PHE   95   6.78 +/- 0.30   3.559% *  2.0347% (0.53   0.02   0.02) =   0.082%
          HG2   LYS+ 112 - QD    PHE   95   7.73 +/- 0.36   1.681% *  1.1936% (0.31   0.02   0.02) =   0.023%
        T QB    ALA   47 - QD    PHE   95   9.11 +/- 0.29   0.599% *  2.9555% (0.76   0.02   0.02) =   0.020%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 249 (3.70, 6.83, 120.22 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 3.22, residual support = 8.55:
          HA    ILE  119 - HD2   HIS  122   2.00 +/- 0.06  99.305% * 97.6510% (0.73   3.22   8.55) =  99.997%  kept
          HA    THR  118 - HD2   HIS  122   4.59 +/- 0.11   0.692% *  0.4726% (0.57   0.02   2.32) =   0.003%
          HD3   PRO   58 - HD2   HIS  122  12.24 +/- 0.23   0.002% *  0.2576% (0.31   0.02   0.02) =   0.000%
          HA2   GLY  109 - HD2   HIS  122  15.89 +/- 0.25   0.000% *  0.2321% (0.28   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   HIS  122  19.66 +/- 0.34   0.000% *  0.4726% (0.57   0.02   0.02) =   0.000%
          HA    ALA   84 - HD2   HIS  122  21.07 +/- 0.34   0.000% *  0.3742% (0.45   0.02   0.02) =   0.000%
          HB2   TRP   49 - HD2   HIS  122  24.70 +/- 0.21   0.000% *  0.5400% (0.65   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 3.37, residual support = 66.7:
      O T HB2   HIS  122 - HD2   HIS  122   3.95 +/- 0.02  99.694% * 98.3756% (0.49   3.37  66.72) =  99.997%  kept
          HA    LYS+ 112 - HD2   HIS  122  10.47 +/- 0.26   0.289% *  0.9164% (0.76   0.02   0.02) =   0.003%
          HB    THR   46 - HD2   HIS  122  17.15 +/- 0.53   0.015% *  0.2990% (0.25   0.02   0.02) =   0.000%
          HB2   HIS   22 - HD2   HIS  122  25.86 +/- 0.45   0.001% *  0.4090% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.965, support = 3.71, residual support = 66.7:
      O T HB3   HIS  122 - HD2   HIS  122   2.88 +/- 0.03  99.199% * 99.1817% (0.97   3.71  66.72) =  99.997%  kept
          QE    LYS+ 121 - HD2   HIS  122   6.85 +/- 0.65   0.801% *  0.3809% (0.69   0.02  48.17) =   0.003%
          HB3   ASP-  78 - HD2   HIS  122  25.23 +/- 0.61   0.000% *  0.3139% (0.57   0.02   0.02) =   0.000%
          HG2   GLN   30 - HD2   HIS  122  21.88 +/- 0.37   0.001% *  0.1235% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.95 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 = 0.435, support = 0.019, residual support = 0.019:
          HB3   ASP- 105 - HD2   HIS  122   7.55 +/- 0.19  76.905% *  4.4223% (0.34   0.02   0.02) =  64.985%  kept
          QB    LYS+ 106 - HD2   HIS  122  11.00 +/- 0.36   8.183% *  8.3868% (0.65   0.02   0.02) =  13.113%  kept
          HB3   PRO   58 - HD2   HIS  122  11.46 +/- 0.28   6.455% *  7.8633% (0.61   0.02   0.02) =   9.698%  kept
          HB    ILE   56 - HD2   HIS  122  13.06 +/- 0.29   2.942% * 12.7077% (0.98   0.02   0.02) =   7.145%  kept
          HG3   PRO   68 - HD2   HIS  122  13.00 +/- 0.44   3.068% *  3.2327% (0.25   0.02   0.02) =   1.895%
          HB    ILE  103 - HD2   HIS  122  15.65 +/- 0.31   0.979% *  3.6046% (0.28   0.02   0.02) =   0.674%
          HB2   MET   92 - HD2   HIS  122  18.75 +/- 0.48   0.333% * 10.3811% (0.80   0.02   0.02) =   0.661%
          HB3   LYS+  38 - HD2   HIS  122  19.46 +/- 0.37   0.267% * 12.9357% (1.00   0.02   0.02) =   0.661%
          HB3   GLN   30 - HD2   HIS  122  20.16 +/- 0.60   0.216% * 11.9677% (0.92   0.02   0.02) =   0.495%
          QB    LYS+  33 - HD2   HIS  122  19.83 +/- 0.52   0.238% *  5.8124% (0.45   0.02   0.02) =   0.264%
          HG2   ARG+  54 - HD2   HIS  122  19.54 +/- 0.65   0.263% *  4.0014% (0.31   0.02   0.02) =   0.201%
          HB3   GLN   90 - HD2   HIS  122  23.58 +/- 0.75   0.086% *  6.8209% (0.53   0.02   0.02) =   0.113%
          QB    LYS+  81 - HD2   HIS  122  24.69 +/- 0.42   0.064% *  7.8633% (0.61   0.02   0.02) =   0.096%
    Distance limit 5.50 A violated in 20 structures by 1.80 A, eliminated.
    Peak unassigned.
 
    Peak 253 (1.67, 6.83, 120.22 ppm):
    11 chemical-shift based assignments, quality = 0.923, support = 5.57, residual support = 48.2:
          HB2   LYS+ 121 - HD2   HIS  122   3.79 +/- 0.23  95.188% * 97.7983% (0.92   5.57  48.17) =  99.990%  kept
          HB2   LEU  123 - HD2   HIS  122   6.36 +/- 0.25   4.535% *  0.2002% (0.53   0.02  30.64) =   0.010%
          QD    LYS+  65 - HD2   HIS  122  12.04 +/- 0.62   0.103% *  0.3600% (0.95   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HD2   HIS  122  16.60 +/- 1.41   0.017% *  0.2908% (0.76   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   HIS  122  15.40 +/- 0.37   0.022% *  0.2154% (0.57   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   HIS  122  12.65 +/- 0.21   0.073% *  0.0587% (0.15   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HD2   HIS  122  14.68 +/- 0.52   0.030% *  0.1058% (0.28   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   HIS  122  19.17 +/- 0.46   0.006% *  0.3797% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   HIS  122  17.07 +/- 1.26   0.013% *  0.1428% (0.38   0.02   0.02) =   0.000%
          HB3   MET   92 - HD2   HIS  122  17.25 +/- 0.41   0.011% *  0.0753% (0.20   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   HIS  122  23.19 +/- 0.70   0.002% *  0.3730% (0.98   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.998, support = 4.72, residual support = 48.2:
          HB3   LYS+ 121 - HD2   HIS  122   3.94 +/- 0.30  87.894% * 97.9937% (1.00   4.72  48.17) =  99.974%  kept
          HD2   LYS+ 121 - HD2   HIS  122   5.97 +/- 0.52   8.703% *  0.1420% (0.34   0.02  48.17) =   0.014%
          QD    LYS+  66 - HD2   HIS  122   7.21 +/- 0.68   3.098% *  0.3024% (0.73   0.02   0.02) =   0.011%
          HG    LEU  104 - HD2   HIS  122  12.46 +/- 0.45   0.094% *  0.4155% (1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HD2   HIS  122  12.67 +/- 0.26   0.085% *  0.4019% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD2   HIS  122  12.39 +/- 0.84   0.103% *  0.1158% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   HIS  122  17.28 +/- 0.81   0.014% *  0.3939% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HD2   HIS  122  21.18 +/- 1.42   0.004% *  0.1420% (0.34   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   HIS  122  19.59 +/- 0.53   0.006% *  0.0927% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.173, support = 2.4, residual support = 8.44:
          QG2   ILE  119 - HD2   HIS  122   3.94 +/- 0.07  77.168% * 80.5713% (0.18   2.44   8.55) =  98.640%  kept
          QD1   LEU   67 - HD2   HIS  122   4.92 +/- 0.33  21.770% *  3.7674% (1.00   0.02   1.04) =   1.301%
          QD2   LEU   40 - HD2   HIS  122   8.50 +/- 0.37   0.798% *  3.7758% (1.00   0.02   0.02) =   0.048%
          QG2   ILE  103 - HD2   HIS  122  11.23 +/- 0.31   0.146% *  3.6439% (0.97   0.02   0.02) =   0.008%
          QD1   ILE  103 - HD2   HIS  122  13.24 +/- 0.65   0.057% *  1.1654% (0.31   0.02   0.02) =   0.001%
          QD2   LEU   71 - HD2   HIS  122  13.81 +/- 0.25   0.042% *  1.5523% (0.41   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HD2   HIS  122  17.91 +/- 1.00   0.009% *  3.3862% (0.90   0.02   0.02) =   0.001%
        T HB    VAL   75 - HD2   HIS  122  17.70 +/- 0.57   0.010% *  2.1377% (0.57   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 0.487, support = 4.53, residual support = 30.6:
          QD1   LEU  123 - HD2   HIS  122   4.12 +/- 0.20  92.861% * 97.9714% (0.49   4.53  30.64) =  99.969%  kept
          QD2   LEU  123 - HD2   HIS  122   6.77 +/- 0.26   4.744% *  0.4322% (0.49   0.02  30.64) =   0.023%
          QG1   VAL   70 - HD2   HIS  122   7.99 +/- 0.27   1.824% *  0.2469% (0.28   0.02   0.02) =   0.005%
          HB3   LEU  104 - HD2   HIS  122  10.28 +/- 0.46   0.418% *  0.7417% (0.84   0.02   0.02) =   0.003%
          QG1   VAL   18 - HD2   HIS  122  12.65 +/- 0.47   0.115% *  0.1757% (0.20   0.02   0.02) =   0.000%
          QD1   LEU   71 - HD2   HIS  122  15.19 +/- 0.52   0.038% *  0.4322% (0.49   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 258 (0.24, 6.83, 120.22 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.986, residual support = 2.32:
        T QG2   THR  118 - HD2   HIS  122   2.95 +/- 0.07 100.000% *100.0000% (0.69   0.99   2.32) = 100.000%  kept
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 259 (-1.01, 8.33, 138.33 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 260 (1.38, 7.32, 120.14 ppm):
    30 chemical-shift based assignments, quality = 0.937, support = 1.11, residual support = 12.7:
          HB3   LEU   73 - HE3   TRP   27   3.34 +/- 0.48  91.264% * 84.4964% (0.94   1.11  12.74) =  99.960%  kept
          HG3   LYS+  65 - HN    LEU   67   5.91 +/- 0.55   4.383% *  0.2448% (0.15   0.02   0.02) =   0.014%
          HB2   LEU   80 - HE3   TRP   27   7.51 +/- 1.02   1.307% *  0.2811% (0.17   0.02   6.04) =   0.005%
          HB3   LYS+  74 - HE3   TRP   27   7.94 +/- 0.62   0.675% *  0.4953% (0.31   0.02   0.02) =   0.004%
          QB    LEU   98 - HE3   TRP   27   9.00 +/- 0.82   0.347% *  0.9086% (0.56   0.02   0.02) =   0.004%
          HG3   LYS+  33 - HE3   TRP   27  10.45 +/- 1.13   0.166% *  1.6013% (0.99   0.02   0.02) =   0.003%
          HB    VAL   42 - HE3   TRP   27  10.00 +/- 0.50   0.154% *  1.5731% (0.97   0.02   0.02) =   0.003%
          HB    VAL   42 - HN    LEU   67   7.65 +/- 0.33   0.885% *  0.2448% (0.15   0.02   0.02) =   0.003%
          QB    ALA   84 - HE3   TRP   27   8.73 +/- 0.56   0.430% *  0.3176% (0.20   0.02   0.02) =   0.002%
          HG    LEU   98 - HE3   TRP   27  10.53 +/- 1.07   0.176% *  0.2172% (0.13   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HE3   TRP   27  15.17 +/- 1.08   0.015% *  1.2265% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HE3   TRP   27  17.58 +/- 1.15   0.005% *  1.4815% (0.91   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HE3   TRP   27  18.16 +/- 1.03   0.005% *  1.5731% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   67  13.69 +/- 0.54   0.028% *  0.2362% (0.15   0.02   0.02) =   0.000%
          QB    ALA   12 - HE3   TRP   27  18.02 +/- 1.86   0.005% *  1.3405% (0.83   0.02   0.02) =   0.000%
          HB3   PRO   93 - HE3   TRP   27  15.15 +/- 0.62   0.014% *  0.3573% (0.22   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   67  12.71 +/- 0.84   0.045% *  0.0694% (0.04   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LEU   67  14.03 +/- 0.19   0.021% *  0.1414% (0.09   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   67  16.12 +/- 1.63   0.011% *  0.2086% (0.13   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   67  16.73 +/- 0.89   0.008% *  0.2492% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   67  16.81 +/- 0.67   0.008% *  0.1908% (0.12   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HE3   TRP   27  19.60 +/- 0.70   0.003% *  0.4462% (0.28   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   67  14.72 +/- 0.30   0.015% *  0.0771% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HE3   TRP   27  24.66 +/- 0.41   0.001% *  1.3921% (0.86   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   67  19.19 +/- 0.32   0.003% *  0.2166% (0.13   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   67  15.72 +/- 0.39   0.011% *  0.0556% (0.03   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   67  21.15 +/- 0.83   0.002% *  0.2305% (0.14   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   67  15.89 +/- 0.78   0.011% *  0.0338% (0.02   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   67  18.88 +/- 0.23   0.004% *  0.0494% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   67  22.28 +/- 1.04   0.001% *  0.0437% (0.03   0.02   0.02) =   0.000%
    Distance limit 5.50 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        :    163
      with multiple volume contributions     :     37
      eliminated by violation filter         :     15
 
    Peaks:
      selected                               :    240
      without assignment                     :     31
      with assignment                        :    209
      with unique assignment                 :    185
      with multiple assignment               :     24
      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             :    177
 
    Atoms with eliminated volume contribution > 2.5:
    QD    PHE   59       2.9
    QD    PHE   97       3.9