- candid: assign gamma=0.5 ambiguity=20 support=0.02..20.0 transposed=10.0 observ
        able=10.0 structure=0.75 smooth=1.0 volume=0.005 rsupport=0.5 tsupport=0.75
         quality=0.2 violation=0.9
 
    Peak 2 (11.10, 11.10, 134.86 ppm):
    1 diagonal assignment:
    *     HE1   TRP   49 - HE1   TRP   49  (1.00)  kept
 
    Peak 3 (8.71, 8.71, 131.46 ppm):
    1 diagonal assignment:
    *     HN    ALA   20 - HN    ALA   20  (1.00)  kept
 
    Peak 4 (8.93, 8.93, 131.32 ppm):
    1 diagonal assignment:
    *     HN    ILE   19 - HN    ILE   19  (1.00)  kept
 
    Peak 5 (10.20, 10.20, 129.00 ppm):
    1 diagonal assignment:
    *     HE1   TRP   27 - HE1   TRP   27  (1.00)  kept
 
    Peak 6 (8.53, 8.53, 128.95 ppm):
    1 diagonal assignment:
    *     HN    VAL   75 - HN    VAL   75  (1.00)  kept
 
    Peak 7 (9.14, 9.14, 128.89 ppm):
    1 diagonal assignment:
    *     HN    VAL  108 - HN    VAL  108  (1.00)  kept
 
    Peak 8 (9.10, 9.10, 128.88 ppm):
    1 diagonal assignment:
    *     HN    ASP-  76 - HN    ASP-  76  (1.00)  kept
 
    Peak 9 (7.45, 7.45, 128.80 ppm):
    1 diagonal assignment:
    *     HN    ALA  124 - HN    ALA  124  (1.00)  kept
 
    Peak 10 (10.56, 10.56, 128.74 ppm):
    1 diagonal assignment:
    *     HE1   TRP   87 - HE1   TRP   87  (1.00)  kept
 
    Peak 11 (9.38, 9.38, 128.74 ppm):
    1 diagonal assignment:
    *     HN    LEU  104 - HN    LEU  104  (1.00)  kept
 
    Peak 12 (8.15, 8.15, 128.27 ppm):
    1 diagonal assignment:
    *     HN    LEU   71 - HN    LEU   71  (1.00)  kept
 
    Peak 13 (9.02, 9.02, 128.16 ppm):
    1 diagonal assignment:
    *     HN    VAL   41 - HN    VAL   41  (1.00)  kept
 
    Peak 14 (8.88, 8.88, 128.13 ppm):
    1 diagonal assignment:
    *     HN    LEU   40 - HN    LEU   40  (1.00)  kept
 
    Peak 15 (10.11, 10.11, 128.03 ppm):
    1 diagonal assignment:
    *     HN    GLU- 100 - HN    GLU- 100  (1.00)  kept
 
    Peak 16 (9.36, 9.36, 127.59 ppm):
    1 diagonal assignment:
    *     HN    PHE   72 - HN    PHE   72  (1.00)  kept
 
    Peak 17 (8.62, 8.62, 127.39 ppm):
    1 diagonal assignment:
    *     HN    GLN   90 - HN    GLN   90  (1.00)  kept
 
    Peak 18 (7.41, 7.41, 127.14 ppm):
    1 diagonal assignment:
    *     HN    ALA   57 - HN    ALA   57  (1.00)  kept
 
    Peak 19 (8.95, 8.95, 126.35 ppm):
    1 diagonal assignment:
    *     HN    VAL   42 - HN    VAL   42  (1.00)  kept
 
    Peak 20 (9.16, 9.16, 125.94 ppm):
    1 diagonal assignment:
    *     HN    VAL   43 - HN    VAL   43  (1.00)  kept
 
    Peak 21 (8.74, 8.74, 125.75 ppm):
    1 diagonal assignment:
    *     HN    PHE   45 - HN    PHE   45  (1.00)  kept
 
    Peak 22 (7.58, 7.58, 125.75 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 111 - HN    LYS+ 111  (1.00)  kept
 
    Peak 23 (9.69, 9.69, 125.68 ppm):
    1 diagonal assignment:
    *     HN    LEU   98 - HN    LEU   98  (1.00)  kept
 
    Peak 24 (9.57, 9.57, 125.50 ppm):
    1 diagonal assignment:
    *     HN    VAL  107 - HN    VAL  107  (1.00)  kept
 
    Peak 25 (9.87, 9.87, 125.46 ppm):
    1 diagonal assignment:
    *     HN    PHE   95 - HN    PHE   95  (1.00)  kept
 
    Peak 26 (8.37, 8.37, 125.10 ppm):
    1 diagonal assignment:
    *     HN    ALA   12 - HN    ALA   12  (0.72)  kept
 
    Peak 27 (7.98, 7.98, 124.64 ppm):
    1 diagonal assignment:
    *     HN    VAL   70 - HN    VAL   70  (1.00)  kept
 
    Peak 28 (8.31, 8.31, 124.24 ppm):
    1 diagonal assignment:
    *     HN    ASP-  86 - HN    ASP-  86  (1.00)  kept
 
    Peak 29 (8.49, 8.49, 124.18 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 112 - HN    LYS+ 112  (1.00)  kept
 
    Peak 30 (8.39, 8.39, 124.20 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 31 (8.40, 8.40, 123.79 ppm):
    1 diagonal assignment:
    *     HN    PHE   97 - HN    PHE   97  (1.00)  kept
 
    Peak 32 (6.59, 6.59, 123.60 ppm):
    1 diagonal assignment:
    *     HN    VAL   83 - HN    VAL   83  (0.75)  kept
 
    Peak 33 (9.32, 9.32, 123.66 ppm):
    1 diagonal assignment:
    *     HN    MET   96 - HN    MET   96  (0.89)  kept
 
    Peak 34 (8.78, 8.78, 123.55 ppm):
    1 diagonal assignment:
    *     HN    ASP-  44 - HN    ASP-  44  (1.00)  kept
 
    Peak 35 (9.21, 9.21, 123.27 ppm):
    1 diagonal assignment:
    *     HN    VAL   24 - HN    VAL   24  (1.00)  kept
 
    Peak 36 (7.73, 7.73, 123.24 ppm):
    2 diagonal assignments:
    *     HN    TRP   27 - HN    TRP   27  (1.00)  kept
          HN    ALA   91 - HN    ALA   91  (0.10)  kept
 
    Peak 37 (8.40, 8.40, 122.87 ppm):
    1 diagonal assignment:
    *     HN    LEU  115 - HN    LEU  115  (1.00)  kept
 
    Peak 38 (7.72, 7.72, 122.85 ppm):
    2 diagonal assignments:
    *     HN    ALA   91 - HN    ALA   91  (1.00)  kept
          HN    TRP   27 - HN    TRP   27  (0.10)  kept
 
    Peak 39 (8.32, 8.32, 122.30 ppm):
    1 diagonal assignment:
    *     HN    GLU-  14 - HN    GLU-  14  (0.70)  kept
 
    Peak 40 (8.48, 8.48, 122.27 ppm):
    1 diagonal assignment:
    *     HN    MET   11 - HN    MET   11  (1.00)  kept
 
    Peak 41 (8.75, 8.75, 122.21 ppm):
    1 diagonal assignment:
    *     HN    ALA  110 - HN    ALA  110  (1.00)  kept
 
    Peak 42 (8.62, 8.62, 122.05 ppm):
    1 diagonal assignment:
    *     HN    ILE  103 - HN    ILE  103  (1.00)  kept
 
    Peak 43 (8.16, 8.16, 121.97 ppm):
    1 diagonal assignment:
    *     HN    GLU- 114 - HN    GLU- 114  (1.00)  kept
 
    Peak 44 (6.60, 6.60, 121.96 ppm):
    1 diagonal assignment:
    *     HN    CYS   50 - HN    CYS   50  (1.00)  kept
 
    Peak 45 (7.29, 7.29, 121.74 ppm):
    1 diagonal assignment:
    *     HN    LYS+  81 - HN    LYS+  81  (1.00)  kept
 
    Peak 46 (8.02, 8.02, 121.50 ppm):
    1 diagonal assignment:
    *     HN    GLU-  79 - HN    GLU-  79  (0.61)  kept
 
    Peak 47 (7.82, 7.82, 121.71 ppm):
    1 diagonal assignment:
    *     HN    ALA   88 - HN    ALA   88  (1.00)  kept
 
    Peak 48 (8.08, 8.08, 121.56 ppm):
    2 diagonal assignments:
    *     HN    ALA   34 - HN    ALA   34  (1.00)  kept
          HN    LEU   80 - HN    LEU   80  (0.89)  kept
 
    Peak 49 (7.46, 7.46, 121.46 ppm):
    1 diagonal assignment:
    *     HN    LEU  123 - HN    LEU  123  (1.00)  kept
 
    Peak 50 (7.92, 7.92, 121.27 ppm):
    2 diagonal assignments:
    *     HN    ILE  119 - HN    ILE  119  (1.00)  kept
          HN    CYS   21 - HN    CYS   21  (0.23)  kept
 
    Peak 51 (8.48, 8.48, 121.30 ppm):
    1 diagonal assignment:
    *     HN    LYS+  74 - HN    LYS+  74  (0.71)  kept
 
    Peak 52 (8.29, 8.29, 121.00 ppm):
    1 diagonal assignment:
    *     HN    GLU-  29 - HN    GLU-  29  (1.00)  kept
 
    Peak 53 (7.93, 7.93, 121.01 ppm):
    2 diagonal assignments:
    *     HN    CYS   21 - HN    CYS   21  (1.00)  kept
          HN    ILE  119 - HN    ILE  119  (0.23)  kept
 
    Peak 54 (8.17, 8.17, 120.70 ppm):
    2 diagonal assignments:
          HN    PHE   60 - HN    PHE   60  (0.22)  kept
    *     HN    THR  118 - HN    THR  118  (0.16)  kept
 
    Peak 55 (7.86, 7.86, 120.86 ppm):
    1 diagonal assignment:
    *     HN    ASP-  62 - HN    ASP-  62  (0.86)  kept
 
    Peak 56 (7.59, 7.59, 120.97 ppm):
    1 diagonal assignment:
    *     HN    LEU   63 - HN    LEU   63  (1.00)  kept
 
    Peak 57 (7.01, 7.01, 120.97 ppm):
    1 diagonal assignment:
    *     HN    ALA   47 - HN    ALA   47  (1.00)  kept
 
    Peak 58 (7.76, 7.76, 120.90 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 102 - HN    LYS+ 102  (1.00)  kept
 
    Peak 59 (9.10, 9.10, 120.75 ppm):
    1 diagonal assignment:
    *     HN    HIS   22 - HN    HIS   22  (1.00)  kept
 
    Peak 60 (8.95, 8.95, 120.59 ppm):
    1 diagonal assignment:
    *     HN    LEU   73 - HN    LEU   73  (1.00)  kept
 
    Peak 61 (7.95, 7.95, 120.58 ppm):
    1 diagonal assignment:
    *     HN    LYS+  33 - HN    LYS+  33  (1.00)  kept
 
    Peak 62 (8.36, 8.36, 120.50 ppm):
    1 diagonal assignment:
    *     HN    ASN   35 - HN    ASN   35  (1.00)  kept
 
    Peak 63 (8.78, 8.78, 120.28 ppm):
    1 diagonal assignment:
    *     HN    GLU-  25 - HN    GLU-  25  (1.00)  kept
 
    Peak 64 (7.58, 7.58, 119.96 ppm):
    1 diagonal assignment:
    *     HN    ALA   84 - HN    ALA   84  (1.00)  kept
 
    Peak 65 (7.34, 7.34, 119.88 ppm):
    2 diagonal assignments:
    *     HN    LEU   67 - HN    LEU   67  (1.00)  kept
          HE3   TRP   27 - HE3   TRP   27  (0.03)  kept
 
    Peak 66 (9.44, 9.44, 119.76 ppm):
    1 diagonal assignment:
    *     HN    SER   48 - HN    SER   48  (1.00)  kept
 
    Peak 67 (8.06, 8.06, 119.69 ppm):
    1 diagonal assignment:
    *     HN    GLN   32 - HN    GLN   32  (1.00)  kept
 
    Peak 68 (7.25, 7.25, 119.50 ppm):
    1 diagonal assignment:
    *     HN    PHE   59 - HN    PHE   59  (0.77)  kept
 
    Peak 69 (7.76, 7.76, 119.36 ppm):
    1 diagonal assignment:
    *     HN    GLU-  36 - HN    GLU-  36  (1.00)  kept
 
    Peak 70 (8.52, 8.52, 119.25 ppm):
    1 diagonal assignment:
    *     HN    ASP-  78 - HN    ASP-  78  (1.00)  kept
 
    Peak 71 (9.27, 9.27, 119.07 ppm):
    1 diagonal assignment:
    *     HN    THR   77 - HN    THR   77  (1.00)  kept
 
    Peak 72 (7.84, 7.84, 118.81 ppm):
    2 diagonal assignments:
    *     HN    PHE   55 - HN    PHE   55  (0.79)  kept
          HN    LEU   31 - HN    LEU   31  (0.39)  kept
 
    Peak 73 (7.91, 7.91, 118.70 ppm):
    1 diagonal assignment:
    *     HN    ILE   89 - HN    ILE   89  (1.00)  kept
 
    Peak 74 (7.43, 7.43, 118.69 ppm):
    1 diagonal assignment:
    *     HN    ALA  120 - HN    ALA  120  (0.85)  kept
 
    Peak 75 (8.46, 8.46, 118.59 ppm):
    1 diagonal assignment:
    *     HN    MET   92 - HN    MET   92  (1.00)  kept
 
    Peak 76 (8.31, 8.31, 118.54 ppm):
    2 diagonal assignments:
    *     HN    GLN   30 - HN    GLN   30  (1.00)  kept
          HN    LYS+  99 - HN    LYS+  99  (0.02)  kept
 
    Peak 77 (6.46, 6.46, 118.53 ppm):
    1 diagonal assignment:
    *     HN    ALA   64 - HN    ALA   64  (1.00)  kept
 
    Peak 78 (8.97, 8.97, 118.18 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 106 - HN    LYS+ 106  (1.00)  kept
 
    Peak 79 (8.33, 8.33, 118.17 ppm):
    2 diagonal assignments:
    *     HN    LYS+  99 - HN    LYS+  99  (1.00)  kept
          HN    GLN   30 - HN    GLN   30  (0.02)  kept
 
    Peak 80 (7.69, 7.69, 117.92 ppm):
    1 diagonal assignment:
    *     HN    TRP   87 - HN    TRP   87  (1.00)  kept
 
    Peak 82 (7.88, 7.88, 117.58 ppm):
    1 diagonal assignment:
    *     HN    LYS+  38 - HN    LYS+  38  (1.00)  kept
 
    Peak 83 (7.27, 7.27, 117.25 ppm):
    1 diagonal assignment:
    *     HN    LYS+  66 - HN    LYS+  66  (1.00)  kept
 
    Peak 84 (8.46, 8.46, 117.19 ppm):
    1 diagonal assignment:
    *     HN    THR   46 - HN    THR   46  (1.00)  kept
 
    Peak 85 (7.72, 7.72, 117.18 ppm):
    1 diagonal assignment:
    *     HN    ALA   61 - HN    ALA   61  (1.00)  kept
 
    Peak 86 (8.17, 8.17, 116.99 ppm):
    1 diagonal assignment:
    *     HN    GLN  116 - HN    GLN  116  (1.00)  kept
 
    Peak 87 (6.63, 6.63, 116.57 ppm):
    1 diagonal assignment:
    *     HN    TRP   49 - HN    TRP   49  (1.00)  kept
 
    Peak 88 (7.51, 7.51, 116.39 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 121 - HN    LYS+ 121  (0.80)  kept
 
    Peak 89 (8.12, 8.12, 116.43 ppm):
    1 diagonal assignment:
    *     HN    THR   26 - HN    THR   26  (1.00)  kept
 
    Peak 90 (7.80, 7.80, 116.22 ppm):
    1 diagonal assignment:
    *     HN    ASP- 105 - HN    ASP- 105  (1.00)  kept
 
    Peak 91 (7.69, 7.69, 115.83 ppm):
    1 diagonal assignment:
    *     HN    GLN   17 - HN    GLN   17  (1.00)  kept
 
    Peak 92 (8.80, 8.80, 115.33 ppm):
    1 diagonal assignment:
    *     HN    ASN   28 - HN    ASN   28  (1.00)  kept
 
    Peak 93 (8.03, 8.03, 115.19 ppm):
    1 diagonal assignment:
    *     HN    THR   94 - HN    THR   94  (1.00)  kept
 
    Peak 94 (8.66, 8.66, 115.11 ppm):
    1 diagonal assignment:
    *     HN    SER  117 - HN    SER  117  (1.00)  kept
 
    Peak 95 (7.59, 7.59, 115.08 ppm):
    2 diagonal assignments:
    *     HN    ILE   56 - HN    ILE   56  (1.00)  kept
          HZ2   TRP   87 - HZ2   TRP   87  (0.01)  kept
 
    Peak 96 (8.60, 8.60, 114.88 ppm):
    1 diagonal assignment:
    *     HN    GLY  109 - HN    GLY  109  (0.75)  kept
 
    Peak 97 (6.90, 6.90, 114.80 ppm):
    1 diagonal assignment:
    *     HN    LYS+  65 - HN    LYS+  65  (0.69)  kept
 
    Peak 98 (8.82, 8.82, 114.58 ppm):
    1 diagonal assignment:
    *     HN    ASN   69 - HN    ASN   69  (1.00)  kept
 
    Peak 99 (8.24, 8.24, 114.58 ppm):
    1 diagonal assignment:
    *     HN    SER   13 - HN    SER   13  (1.00)  kept
 
    Peak 100 (7.75, 7.75, 114.55 ppm):
    1 diagonal assignment:
    *     HN    THR   39 - HN    THR   39  (1.00)  kept
 
    Peak 101 (8.64, 8.64, 114.33 ppm):
    1 diagonal assignment:
    *     HN    SER   82 - HN    SER   82  (1.00)  kept
 
    Peak 102 (7.24, 7.24, 114.00 ppm):
    1 diagonal assignment:
    *     HN    HIS  122 - HN    HIS  122  (0.31)  kept
 
    Peak 103 (7.68, 7.68, 113.30 ppm):
    1 diagonal assignment:
    *     HD21  ASN   69 - HD21  ASN   69  (0.56)  kept
 
    Peak 104 (6.66, 6.66, 113.30 ppm):
    1 diagonal assignment:
    *     HD22  ASN   69 - HD22  ASN   69  (0.56)  kept
 
    Peak 105 (7.45, 7.45, 112.50 ppm):
    1 diagonal assignment:
    *     HE21  GLN   17 - HE21  GLN   17  (0.71)  kept
 
    Peak 106 (6.81, 6.81, 112.50 ppm):
    2 diagonal assignments:
    *     HE22  GLN   17 - HE22  GLN   17  (0.71)  kept
          HE22  GLN   32 - HE22  GLN   32  (0.31)  kept
 
    Peak 107 (7.57, 7.57, 112.27 ppm):
    1 diagonal assignment:
    *     HE21  GLN   32 - HE21  GLN   32  (1.00)  kept
 
    Peak 108 (6.80, 6.80, 112.28 ppm):
    3 diagonal assignments:
    *     HE22  GLN   32 - HE22  GLN   32  (1.00)  kept
          HE22  GLN   90 - HE22  GLN   90  (0.37)  kept
          HE22  GLN   17 - HE22  GLN   17  (0.09)  kept
 
    Peak 109 (7.91, 7.91, 112.05 ppm):
    1 diagonal assignment:
    *     HN    SER   37 - HN    SER   37  (1.00)  kept
 
    Peak 110 (7.39, 7.39, 112.01 ppm):
    1 diagonal assignment:
    *     HE21  GLN   90 - HE21  GLN   90  (1.00)  kept
 
    Peak 111 (6.80, 6.80, 112.00 ppm):
    2 diagonal assignments:
    *     HE22  GLN   90 - HE22  GLN   90  (1.00)  kept
          HE22  GLN   32 - HE22  GLN   32  (0.38)  kept
 
    Peak 112 (7.61, 7.61, 111.81 ppm):
    1 diagonal assignment:
    *     HD21  ASN   28 - HD21  ASN   28  (1.00)  kept
 
    Peak 113 (6.97, 6.97, 111.81 ppm):
    1 diagonal assignment:
    *     HD22  ASN   28 - HD22  ASN   28  (1.00)  kept
 
    Peak 114 (7.18, 7.18, 111.61 ppm):
    1 diagonal assignment:
    *     HE21  GLN   30 - HE21  GLN   30  (1.00)  kept
 
    Peak 115 (8.05, 8.05, 111.48 ppm):
    1 diagonal assignment:
    *     HN    SER   85 - HN    SER   85  (1.00)  kept
 
    Peak 116 (7.41, 7.41, 111.00 ppm):
    1 diagonal assignment:
    *     HE21  GLN  116 - HE21  GLN  116  (1.00)  kept
 
    Peak 117 (6.83, 6.83, 111.00 ppm):
    1 diagonal assignment:
    *     HE22  GLN  116 - HE22  GLN  116  (1.00)  kept
 
    Peak 118 (8.66, 8.66, 110.73 ppm):
    1 diagonal assignment:
    *     HN    GLY   16 - HN    GLY   16  (0.96)  kept
 
    Peak 119 (8.09, 8.09, 110.83 ppm):
    1 diagonal assignment:
    *     HN    CYS   53 - HN    CYS   53  (1.00)  kept
 
    Peak 120 (7.37, 7.37, 110.13 ppm):
    1 diagonal assignment:
    *     HD21  ASN   35 - HD21  ASN   35  (1.00)  kept
 
    Peak 121 (6.53, 6.53, 110.12 ppm):
    1 diagonal assignment:
    *     HD22  ASN   35 - HD22  ASN   35  (1.00)  kept
 
    Peak 122 (7.33, 7.33, 104.59 ppm):
    1 diagonal assignment:
    *     HN    THR   23 - HN    THR   23  (1.00)  kept
 
    Peak 123 (8.85, 8.85, 104.25 ppm):
    1 diagonal assignment:
    *     HN    GLY  101 - HN    GLY  101  (1.00)  kept
 
    Peak 124 (6.64, 6.64, 111.61 ppm):
    1 diagonal assignment:
    *     HE22  GLN   30 - HE22  GLN   30  (1.00)  kept
 
    Peak 125 (8.18, 8.18, 120.93 ppm):
    3 diagonal assignments:
    *     HN    PHE   60 - HN    PHE   60  (0.98)  kept
          HN    THR  118 - HN    THR  118  (0.77)  kept
          HN    GLU-  15 - HN    GLU-  15  (0.16)  kept
 
    Peak 126 (7.87, 7.87, 121.30 ppm):
    2 diagonal assignments:
    *     HN    ARG+  54 - HN    ARG+  54  (0.89)  kept
          HN    ASP-  62 - HN    ASP-  62  (0.11)  kept
 
    Peak 127 (8.09, 8.09, 121.65 ppm):
    2 diagonal assignments:
    *     HN    LEU   80 - HN    LEU   80  (0.89)  kept
          HN    ALA   34 - HN    ALA   34  (0.68)  kept
 
    Peak 129 (7.85, 7.85, 118.81 ppm):
    2 diagonal assignments:
    *     HN    LEU   31 - HN    LEU   31  (0.93)  kept
          HN    PHE   55 - HN    PHE   55  (0.26)  kept
 
    Peak 130 (8.27, 8.27, 122.56 ppm):
    1 diagonal assignment:
    *     HN    VAL   18 - HN    VAL   18  (0.93)  kept
 
    Peak 131 (8.20, 8.20, 120.98 ppm):
    3 diagonal assignments:
    *     HN    GLU-  15 - HN    GLU-  15  (1.00)  kept
          HN    PHE   60 - HN    PHE   60  (0.23)  kept
          HN    THR  118 - HN    THR  118  (0.07)  kept
 
    Peak 134 (9.57, 9.57, 121.38 ppm):
    1 diagonal assignment:
    *     HN    GLY   51 - HN    GLY   51  (1.00)  kept
 
    Peak 268 (8.43, 8.43, 117.70 ppm):
    1 diagonal assignment:
    *     HN    ASP- 113 - HN    ASP- 113  (0.85)  kept
 
    Peak 269 (4.29, 8.48, 122.27 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.37, residual support = 43.3:
      O   HA    MET   11 - HN    MET   11   2.82 +/- 0.15  96.737% * 99.3074% (0.95  10.0   3.37  43.34) =  99.997%  kept
          HA    ALA   12 - HN    MET   11   5.09 +/- 0.39   3.240% *  0.0762% (0.73   1.0   0.02  12.12) =   0.003%
          HA    GLU-  14 - HN    MET   11  11.65 +/- 0.53   0.021% *  0.0637% (0.61   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    MET   11  21.10 +/- 4.13   0.002% *  0.0324% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    MET   11  27.79 +/- 3.39   0.000% *  0.0969% (0.92   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    MET   11  29.06 +/- 5.46   0.000% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    MET   11  33.01 +/- 4.60   0.000% *  0.0911% (0.87   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    MET   11  38.01 +/- 6.56   0.000% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    MET   11  30.91 +/- 3.88   0.000% *  0.0802% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    MET   11  34.84 +/- 5.75   0.000% *  0.0721% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    MET   11  36.75 +/- 5.36   0.000% *  0.0911% (0.87   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    MET   11  32.56 +/- 4.07   0.000% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 270 (4.31, 8.37, 125.10 ppm):
    9 chemical-shift based assignments, quality = 0.553, support = 2.84, residual support = 12.3:
      O   HA    ALA   12 - HN    ALA   12   2.75 +/- 0.18  39.347% * 68.6590% (0.71  10.0   2.38  12.38) =  58.946%  kept
      O   HA    MET   11 - HN    ALA   12   2.55 +/- 0.13  60.584% * 31.0568% (0.32  10.0   3.51  12.12) =  41.054%  kept
          HA    GLU-  14 - HN    ALA   12   8.18 +/- 0.65   0.069% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   12  25.06 +/- 2.69   0.000% *  0.0285% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   12  29.81 +/- 3.10   0.000% *  0.0529% (0.55   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   12  33.10 +/- 4.57   0.000% *  0.0691% (0.72   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   12  28.29 +/- 3.03   0.000% *  0.0173% (0.18   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   12  30.92 +/- 3.54   0.000% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   12  34.97 +/- 4.18   0.000% *  0.0236% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 1.71, residual support = 5.18:
      O   HA    ALA   12 - HN    SER   13   2.57 +/- 0.16  97.513% * 97.9859% (0.14  10.0   1.71   5.19) =  99.996%  kept
          HA    GLU-  14 - HN    SER   13   4.86 +/- 0.42   2.486% *  0.1672% (0.20   1.0   0.02   6.68) =   0.004%
          HA    PHE   59 - HN    SER   13  23.52 +/- 1.34   0.000% *  0.4444% (0.53   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    SER   13  31.65 +/- 3.76   0.000% *  0.8279% (0.98   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    SER   13  28.00 +/- 2.95   0.000% *  0.4444% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    SER   13  31.41 +/- 3.87   0.000% *  0.1303% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 272 (3.87, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.06, residual support = 7.4:
      O   QB    SER   13 - HN    SER   13   2.83 +/- 0.30  99.981% * 99.5044% (0.87  10.0   2.06   7.40) = 100.000%  kept
          HB3   SER   37 - HN    SER   13  15.92 +/- 3.68   0.010% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   13  15.83 +/- 3.35   0.009% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   13  27.74 +/- 2.06   0.000% *  0.1029% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   13  27.72 +/- 3.89   0.000% *  0.0649% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   13  31.31 +/- 4.13   0.000% *  0.1124% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 273 (4.43, 8.27, 122.56 ppm):
    9 chemical-shift based assignments, quality = 0.806, support = 5.47, residual support = 50.1:
      O   HA    GLN   17 - HN    VAL   18   2.59 +/- 0.03  99.703% * 99.5491% (0.81  10.0   5.47  50.10) = 100.000%  kept
          HA    GLU-  15 - HN    VAL   18   7.14 +/- 0.39   0.237% *  0.0297% (0.24   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    VAL   18  12.35 +/- 0.65   0.009% *  0.1100% (0.89   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   18  12.45 +/- 1.66   0.023% *  0.0297% (0.24   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   18  11.39 +/- 2.06   0.020% *  0.0265% (0.21   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   18  14.23 +/- 1.78   0.005% *  0.0911% (0.74   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   18  16.95 +/- 2.03   0.002% *  0.0407% (0.33   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   18  19.74 +/- 1.15   0.001% *  0.0995% (0.81   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   18  21.65 +/- 2.26   0.000% *  0.0236% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 274 (4.02, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.362, support = 5.49, residual support = 77.1:
      O   HA    VAL   18 - HN    VAL   18   2.87 +/- 0.02  99.382% * 98.8751% (0.36  10.0   5.49  77.06) =  99.999%  kept
          HA1   GLY   16 - HN    VAL   18   6.76 +/- 0.08   0.585% *  0.1181% (0.43   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    VAL   18  11.61 +/- 0.67   0.025% *  0.2285% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    VAL   18  17.10 +/- 1.12   0.002% *  0.2110% (0.77   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   18  17.77 +/- 1.54   0.002% *  0.2285% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   18  18.37 +/- 0.83   0.002% *  0.1492% (0.55   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   18  18.73 +/- 0.58   0.001% *  0.1083% (0.40   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   18  21.81 +/- 1.21   0.001% *  0.0813% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 275 (4.41, 8.32, 122.30 ppm):
    10 chemical-shift based assignments, quality = 0.672, support = 2.11, residual support = 6.68:
      O   HA    SER   13 - HN    GLU-  14   2.46 +/- 0.19  98.429% * 99.4257% (0.67  10.0   2.11   6.68) =  99.998%  kept
          HA    GLU-  15 - HN    GLU-  14   5.12 +/- 0.52   1.488% *  0.0994% (0.67   1.0   0.02   1.19) =   0.002%
          HA    GLN   17 - HN    GLU-  14   9.63 +/- 1.06   0.076% *  0.0748% (0.51   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLU-  14  15.83 +/- 3.06   0.003% *  0.0748% (0.51   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLU-  14  17.13 +/- 2.26   0.001% *  0.0861% (0.58   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  14  20.52 +/- 1.16   0.000% *  0.0975% (0.66   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLU-  14  17.62 +/- 1.81   0.001% *  0.0204% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  14  23.57 +/- 2.32   0.000% *  0.0825% (0.56   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  14  21.81 +/- 3.17   0.000% *  0.0229% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  14  24.44 +/- 1.35   0.000% *  0.0159% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 276 (7.72, 8.66, 110.73 ppm):
    6 chemical-shift based assignments, quality = 0.132, support = 3.44, residual support = 16.5:
          HN    GLN   17 - HN    GLY   16   2.42 +/- 0.10  99.986% * 86.2144% (0.13   3.44  16.49) = 100.000%  kept
          HN    ALA   61 - HN    GLY   16  12.16 +/- 1.01   0.007% *  3.6725% (0.97   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLY   16  13.85 +/- 1.81   0.005% *  0.5717% (0.15   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLY   16  17.06 +/- 0.91   0.001% *  2.5452% (0.67   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLY   16  24.51 +/- 2.09   0.000% *  3.4204% (0.90   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLY   16  25.87 +/- 1.74   0.000% *  3.5758% (0.94   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 277 (8.66, 7.69, 115.83 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.44, residual support = 16.5:
        T HN    GLY   16 - HN    GLN   17   2.42 +/- 0.10 100.000% * 99.8536% (1.00 10.00   3.44  16.49) = 100.000%  kept
          HN    SER  117 - HN    GLN   17  21.38 +/- 1.15   0.000% *  0.0898% (0.90  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN   17  23.92 +/- 0.91   0.000% *  0.0567% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 278 (4.42, 8.66, 110.73 ppm):
    9 chemical-shift based assignments, quality = 0.478, support = 2.07, residual support = 6.1:
      O   HA    GLU-  15 - HN    GLY   16   2.57 +/- 0.17  97.730% * 76.6961% (0.47  10.0   2.07   6.04) =  99.341%  kept
          HA    GLN   17 - HN    GLY   16   4.90 +/- 0.10   2.193% * 22.6672% (0.97   1.0   2.90  16.49) =   0.659%  kept
          HA    SER   13 - HN    GLY   16   9.11 +/- 0.55   0.057% *  0.0767% (0.47   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLY   16  13.15 +/- 1.23   0.006% *  0.1082% (0.67   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLY   16  15.87 +/- 1.99   0.003% *  0.1562% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLY   16  13.55 +/- 1.63   0.006% *  0.0486% (0.30   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLY   16  14.75 +/- 1.11   0.003% *  0.0706% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLY   16  19.56 +/- 1.42   0.001% *  0.1521% (0.94   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLY   16  21.29 +/- 2.46   0.000% *  0.0243% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (4.00, 8.66, 110.73 ppm):
    10 chemical-shift based assignments, quality = 0.824, support = 0.0198, residual support = 0.0198:
          HA    VAL   18 - HN    GLY   16   6.59 +/- 0.14  72.609% * 12.6997% (0.90   0.02   0.02) =  84.264%  kept
          HA    VAL   70 - HN    GLY   16   8.35 +/- 1.64  26.535% *  6.1679% (0.44   0.02   0.02) =  14.956%  kept
          HA    LYS+  33 - HN    GLY   16  16.26 +/- 1.70   0.356% * 10.5138% (0.75   0.02   0.02) =   0.342%
          HA    GLU-  29 - HN    GLY   16  19.00 +/- 1.31   0.129% * 12.3380% (0.87   0.02   0.02) =   0.145%
          HA    GLN   32 - HN    GLY   16  19.16 +/- 1.56   0.124% *  9.4500% (0.67   0.02   0.02) =   0.107%
          HA    GLN  116 - HN    GLY   16  19.06 +/- 1.24   0.135% *  6.1679% (0.44   0.02   0.02) =   0.076%
          HA    SER   48 - HN    GLY   16  23.15 +/- 2.72   0.046% * 12.6997% (0.90   0.02   0.02) =   0.054%
          HB2   SER   82 - HN    GLY   16  25.77 +/- 1.29   0.021% * 13.2768% (0.94   0.02   0.02) =   0.025%
          HD2   PRO   52 - HN    GLY   16  24.31 +/- 2.49   0.036% *  6.6964% (0.47   0.02   0.02) =   0.022%
          HA    ALA   88 - HN    GLY   16  28.69 +/- 1.41   0.011% *  9.9899% (0.71   0.02   0.02) =   0.010%
    Distance limit 3.46 A violated in 20 structures by 2.73 A, eliminated.
    Peak unassigned.
 
    Peak 280 (4.42, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.978, support = 5.08, residual support = 82.3:
      O   HA    GLN   17 - HN    GLN   17   2.88 +/- 0.02  60.903% * 95.5853% (0.99  10.0   5.17  84.50) =  97.375%  kept
          HA    GLU-  15 - HN    GLN   17   3.14 +/- 0.29  38.996% *  4.0250% (0.49   1.0   1.71   0.02) =   2.625%  kept
          HA    SER   13 - HN    GLN   17   9.46 +/- 0.93   0.077% *  0.0469% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLN   17  12.94 +/- 0.89   0.008% *  0.0662% (0.69   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLN   17  13.68 +/- 1.36   0.007% *  0.0432% (0.45   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLN   17  17.14 +/- 1.66   0.002% *  0.0956% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLN   17  14.37 +/- 1.23   0.005% *  0.0298% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLN   17  17.88 +/- 1.53   0.001% *  0.0931% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   17  19.98 +/- 2.24   0.001% *  0.0149% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 281 (7.45, 6.81, 112.50 ppm):
    8 chemical-shift based assignments, quality = 0.699, support = 1.0, residual support = 84.5:
      O T HE21  GLN   17 - HE22  GLN   17   1.73 +/- 0.00 100.000% * 99.1229% (0.70  10.0 10.00   1.00  84.50) = 100.000%  kept
        T HE21  GLN   17 - HE22  GLN   32  23.45 +/- 2.90   0.000% *  0.5701% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   17  22.55 +/- 2.59   0.000% *  0.0946% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   17  22.41 +/- 1.84   0.000% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   17  23.26 +/- 1.28   0.000% *  0.0135% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   32  30.53 +/- 2.84   0.000% *  0.0499% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   32  31.81 +/- 3.91   0.000% *  0.0544% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   32  32.28 +/- 1.61   0.000% *  0.0078% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 282 (6.82, 7.45, 112.50 ppm):
    5 chemical-shift based assignments, quality = 0.633, support = 1.0, residual support = 84.5:
      O   HE22  GLN   17 - HE21  GLN   17   1.73 +/- 0.00 100.000% * 99.4952% (0.63  10.0   1.00  84.50) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN   17  19.23 +/- 2.44   0.000% *  0.1524% (0.48   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   17  22.39 +/- 2.67   0.000% *  0.1611% (0.51   1.0   0.02   0.02) =   0.000%
          HE22  GLN   32 - HE21  GLN   17  23.45 +/- 2.90   0.000% *  0.1080% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   17  28.99 +/- 3.43   0.000% *  0.0833% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 284 (4.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.244, support = 3.29, residual support = 18.2:
      O   HA1   GLY   16 - HN    GLN   17   3.23 +/- 0.05  91.248% * 63.1682% (0.22  10.0   3.26  16.49) =  95.016%  kept
          HA    VAL   18 - HN    GLN   17   4.81 +/- 0.07   8.524% * 35.4607% (0.65   1.0   3.86  50.10) =   4.983%  kept
          HA    VAL   70 - HN    GLN   17   9.49 +/- 1.27   0.199% *  0.2831% (1.00   1.0   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    GLN   17  14.50 +/- 1.62   0.016% *  0.1493% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN   17  16.78 +/- 1.34   0.005% *  0.2370% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   17  18.89 +/- 1.23   0.002% *  0.2831% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN   17  18.64 +/- 0.99   0.003% *  0.1949% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   17  21.12 +/- 2.87   0.002% *  0.0632% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   17  24.34 +/- 1.16   0.001% *  0.1606% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 288 (5.57, 8.93, 131.32 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 2.0, residual support = 4.0:
          HA    LEU   73 - HN    ILE   19   3.50 +/- 0.61 100.000% *100.0000% (0.87   2.00   4.00) = 100.000%  kept
    Distance limit 3.64 A violated in 2 structures by 0.17 A, kept.
 
    Peak 289 (4.01, 8.93, 131.32 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.88, residual support = 22.5:
      O   HA    VAL   18 - HN    ILE   19   2.26 +/- 0.03  99.942% * 99.2246% (0.65  10.0   4.88  22.49) = 100.000%  kept
          HA    VAL   70 - HN    ILE   19   9.59 +/- 0.72   0.020% *  0.1530% (1.00   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    ILE   19   8.72 +/- 0.38   0.031% *  0.0341% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   19  14.45 +/- 0.78   0.002% *  0.1281% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   19  14.40 +/- 0.63   0.002% *  0.1054% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    ILE   19  14.06 +/- 0.89   0.002% *  0.0807% (0.53   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   19  17.13 +/- 2.84   0.002% *  0.0341% (0.22   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   19  18.90 +/- 1.19   0.000% *  0.1530% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   19  18.57 +/- 1.22   0.000% *  0.0868% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 6.73, residual support = 173.8:
      O   HA    ILE   19 - HN    ILE   19   2.91 +/- 0.02  99.964% * 99.7071% (0.87  10.0   6.73 173.80) = 100.000%  kept
          HA    THR   26 - HN    ILE   19  11.71 +/- 0.60   0.025% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ILE   19  16.45 +/- 1.49   0.004% *  0.1147% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ILE   19  14.93 +/- 0.41   0.006% *  0.0744% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ILE   19  20.02 +/- 1.00   0.001% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ILE   19  21.80 +/- 1.38   0.001% *  0.0256% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 291 (4.17, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.05, residual support = 25.9:
      O   HA    ILE   19 - HN    ALA   20   2.22 +/- 0.04  99.983% * 99.7374% (0.97  10.0   5.05  25.95) = 100.000%  kept
          HA    THR   26 - HN    ALA   20   9.85 +/- 0.67   0.014% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ALA   20  13.28 +/- 0.29   0.002% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ALA   20  18.34 +/- 1.96   0.000% *  0.1013% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   20  18.97 +/- 1.15   0.000% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   20  25.40 +/- 1.50   0.000% *  0.0140% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 292 (4.63, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.15, residual support = 15.2:
      O   HA    ALA   20 - HN    ALA   20   2.90 +/- 0.03  99.908% * 99.9455% (0.97  10.0   3.15  15.25) = 100.000%  kept
          HA    LEU   71 - HN    ALA   20   9.48 +/- 0.71   0.092% *  0.0545% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (8.46, 7.93, 121.01 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 3.87, residual support = 9.12:
        T HN    LYS+  74 - HN    CYS   21   2.99 +/- 0.73  99.604% * 99.2410% (0.76 10.00   3.87   9.12) = 100.000%  kept
          HN    THR   46 - HN    CYS   21  10.60 +/- 1.49   0.179% *  0.1299% (1.00  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HN    ILE  119  10.15 +/- 0.58   0.175% *  0.0102% (0.08  1.00   0.02   0.02) =   0.000%
        T HN    LYS+  74 - HN    ILE  119  18.72 +/- 1.11   0.004% *  0.3136% (0.24 10.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    CYS   21  20.05 +/- 4.50   0.021% *  0.0534% (0.41  1.00   0.02   0.02) =   0.000%
          HN    MET   92 - HN    CYS   21  18.47 +/- 1.41   0.004% *  0.1228% (0.95  1.00   0.02   0.02) =   0.000%
          HN    THR   46 - HN    ILE  119  17.49 +/- 0.93   0.006% *  0.0410% (0.32  1.00   0.02   0.02) =   0.000%
          HN    MET   92 - HN    ILE  119  17.46 +/- 1.07   0.005% *  0.0388% (0.30  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HN    CYS   21  24.00 +/- 2.65   0.001% *  0.0324% (0.25  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE  119  33.26 +/- 2.67   0.000% *  0.0169% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.09 A, kept.
 
    Peak 294 (4.62, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 15.2:
      O   HA    ALA   20 - HN    CYS   21   2.25 +/- 0.02  99.982% * 99.8901% (0.95  10.0   2.96  15.21) = 100.000%  kept
          HA    LEU   71 - HN    CYS   21   9.81 +/- 0.73   0.016% *  0.0235% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   21  20.29 +/- 1.70   0.000% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  119  21.06 +/- 1.15   0.000% *  0.0316% (0.30   1.0   0.02   0.02) =   0.000%
          HA    LEU   71 - HN    ILE  119  16.93 +/- 1.54   0.001% *  0.0074% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    ILE  119  18.37 +/- 1.20   0.000% *  0.0114% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 295 (4.22, 7.86, 120.86 ppm):
    4 chemical-shift based assignments, quality = 0.832, support = 3.84, residual support = 41.0:
      O   HA    ASP-  62 - HN    ASP-  62   2.80 +/- 0.03  99.988% * 99.8043% (0.83  10.0   3.84  41.03) = 100.000%  kept
          HA    SER  117 - HN    ASP-  62  13.07 +/- 1.01   0.011% *  0.0751% (0.63   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ASP-  62  20.81 +/- 1.56   0.001% *  0.1025% (0.85   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ASP-  62  26.28 +/- 1.42   0.000% *  0.0181% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 6.5:
          HA    PHE   59 - HN    ASP-  62   3.66 +/- 0.25  98.446% * 92.4913% (0.52   1.50   6.50) =  99.979%  kept
          HA    ILE   56 - HN    ASP-  62   7.80 +/- 0.78   1.364% *  1.2332% (0.52   0.02   0.02) =   0.018%
          HA    LEU  123 - HN    ASP-  62  11.85 +/- 1.30   0.128% *  0.9897% (0.42   0.02   0.02) =   0.001%
          HA    ASP- 113 - HN    ASP-  62  13.57 +/- 1.16   0.052% *  2.0287% (0.86   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    ASP-  62  18.39 +/- 1.24   0.008% *  1.6281% (0.69   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP-  62  23.60 +/- 0.85   0.002% *  1.3153% (0.56   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP-  62  23.25 +/- 1.11   0.002% *  0.3137% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.03 A, kept.
 
    Peak 297 (7.32, 9.10, 120.75 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 3.42, residual support = 21.1:
          HN    THR   23 - HN    HIS   22   3.60 +/- 0.43  99.304% * 97.3399% (0.69   3.42  21.10) =  99.995%  kept
          HE3   TRP   27 - HN    HIS   22   8.97 +/- 0.92   0.577% *  0.8280% (1.00   0.02   0.02) =   0.005%
          QE    PHE   95 - HN    HIS   22  15.06 +/- 1.24   0.024% *  0.6026% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    HIS   22  12.55 +/- 1.45   0.087% *  0.1453% (0.18   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    HIS   22  22.74 +/- 1.89   0.002% *  0.8280% (1.00   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    HIS   22  18.79 +/- 0.93   0.006% *  0.2561% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 298 (4.62, 9.10, 120.75 ppm):
    3 chemical-shift based assignments, quality = 0.945, support = 0.02, residual support = 4.82:
          HA    ALA   20 - HN    HIS   22   4.83 +/- 0.11  99.613% * 62.6587% (0.95   0.02   4.83) =  99.907%  kept
          HA    LEU   71 - HN    HIS   22  12.57 +/- 1.04   0.377% * 14.7469% (0.22   0.02   0.02) =   0.089%
          HA    LYS+ 102 - HN    HIS   22  22.74 +/- 1.87   0.011% * 22.5944% (0.34   0.02   0.02) =   0.004%
    Distance limit 3.86 A violated in 15 structures by 0.97 A, eliminated.
    Peak unassigned.
 
    Peak 299 (8.11, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.685, support = 3.61, residual support = 13.0:
        T HN    THR   26 - HN    THR   23   4.50 +/- 0.09  87.576% * 95.4705% (0.69 10.00   3.62  13.05) =  99.354%  kept
          HN    LEU   80 - HN    THR   23   6.90 +/- 1.43  12.317% *  4.4161% (0.34  1.00   1.86   5.63) =   0.646%  kept
          HN    ALA   34 - HN    THR   23  14.30 +/- 0.38   0.087% *  0.0347% (0.25  1.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    THR   23  19.23 +/- 2.08   0.019% *  0.0787% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.08 A, kept.
 
    Peak 300 (9.10, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.41, residual support = 21.1:
        T HN    HIS   22 - HN    THR   23   3.60 +/- 0.43  88.839% * 99.9047% (0.99 10.00   3.42  21.10) =  99.988%  kept
          HN    ASP-  76 - HN    THR   23   5.73 +/- 1.21  11.161% *  0.0953% (0.95  1.00   0.02   0.02) =   0.012%
    Distance limit 3.47 A violated in 0 structures by 0.22 A, kept.
 
    Peak 301 (8.78, 9.21, 123.27 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 8.06, residual support = 35.0:
        T HN    GLU-  25 - HN    VAL   24   2.71 +/- 0.10  98.815% * 99.8571% (0.98 10.00   8.06  34.99) =  99.999%  kept
          HN    ASN   28 - HN    VAL   24   5.81 +/- 0.32   1.097% *  0.0419% (0.41  1.00   0.02  13.01) =   0.000%
          HN    ASP-  44 - HN    VAL   24  10.30 +/- 1.56   0.088% *  0.1010% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 302 (9.21, 8.78, 120.28 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 8.06, residual support = 35.0:
        T HN    VAL   24 - HN    GLU-  25   2.71 +/- 0.10 100.000% *100.0000% (1.00 10.00   8.06  34.99) = 100.000%  kept
    Distance limit 3.33 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 = 5.44, residual support = 28.9:
        T HN    THR   26 - HN    GLU-  25   2.95 +/- 0.04  99.997% * 99.9840% (0.97 10.00   5.44  28.88) = 100.000%  kept
          HN    LEU   71 - HN    GLU-  25  17.30 +/- 0.71   0.003% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 304 (8.78, 8.12, 116.43 ppm):
    3 chemical-shift based assignments, quality = 0.976, support = 5.42, residual support = 28.7:
        T HN    GLU-  25 - HN    THR   26   2.95 +/- 0.04  88.029% * 94.2548% (0.98 10.00   5.44  28.88) =  99.193%  kept
          HN    ASN   28 - HN    THR   26   4.12 +/- 0.13  11.941% *  5.6499% (0.41  1.00   2.86   0.02) =   0.807%  kept
          HN    ASP-  44 - HN    THR   26  11.66 +/- 1.15   0.030% *  0.0953% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 305 (7.74, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.48, residual support = 22.7:
          HN    TRP   27 - HN    THR   26   2.44 +/- 0.09  99.987% * 98.4636% (0.99   4.48  22.70) = 100.000%  kept
          HD1   TRP   87 - HN    THR   26  13.08 +/- 1.56   0.006% *  0.2690% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR   26  15.58 +/- 2.28   0.003% *  0.1664% (0.38   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR   26  16.63 +/- 0.39   0.001% *  0.2869% (0.65   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    THR   26  15.06 +/- 0.30   0.002% *  0.1106% (0.25   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR   26  19.02 +/- 1.25   0.000% *  0.3389% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    THR   26  20.58 +/- 1.67   0.000% *  0.3046% (0.69   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    THR   26  20.21 +/- 1.71   0.000% *  0.0600% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 306 (7.34, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.929, support = 3.52, residual support = 12.9:
          HN    THR   23 - HN    THR   26   4.50 +/- 0.09  74.896% * 61.1771% (0.97   3.62  13.05) =  92.800%  kept
          HD2   HIS   22 - HN    THR   26   5.96 +/- 1.17  18.903% *  9.8061% (0.45   1.25   0.11) =   3.754%  kept
          HE3   TRP   27 - HN    THR   26   6.96 +/- 0.58   6.097% * 27.9037% (0.49   3.27  22.70) =   3.445%  kept
          QE    PHE   95 - HN    THR   26  16.42 +/- 1.28   0.035% *  0.3314% (0.95   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    THR   26  21.07 +/- 0.89   0.007% *  0.3234% (0.92   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    THR   26  15.49 +/- 0.82   0.048% *  0.0474% (0.14   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    THR   26  20.88 +/- 2.21   0.010% *  0.2125% (0.61   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    THR   26  24.54 +/- 1.46   0.003% *  0.1984% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 307 (7.32, 7.73, 123.24 ppm):
    12 chemical-shift based assignments, quality = 0.905, support = 4.68, residual support = 75.8:
          HE3   TRP   27 - HN    TRP   27   4.92 +/- 0.35  48.225% * 70.5312% (1.00   5.34 107.84) =  70.055%  kept
          HN    THR   23 - HN    TRP   27   4.87 +/- 0.30  50.557% * 28.7564% (0.69   3.16   0.94) =  29.944%  kept
          HN    LYS+  81 - HN    TRP   27  11.53 +/- 1.95   0.400% *  0.0464% (0.18   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    TRP   27  14.75 +/- 1.27   0.075% *  0.1924% (0.73   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    ALA   91  12.14 +/- 1.17   0.263% *  0.0238% (0.09   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   91  14.84 +/- 2.10   0.100% *  0.0327% (0.12   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    ALA   91  14.72 +/- 1.56   0.079% *  0.0327% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   91  12.40 +/- 1.25   0.233% *  0.0057% (0.02   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   27  23.25 +/- 1.39   0.005% *  0.2644% (1.00   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   27  19.29 +/- 0.86   0.014% *  0.0818% (0.31   0.02   0.02) =   0.000%
          HN    THR   23 - HN    ALA   91  16.55 +/- 1.60   0.046% *  0.0225% (0.08   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    ALA   91  23.88 +/- 1.62   0.004% *  0.0101% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.31 A, kept.
 
    Peak 308 (8.12, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.48, residual support = 22.7:
        T HN    THR   26 - HN    TRP   27   2.44 +/- 0.09  99.995% * 99.8587% (0.97 10.00   4.48  22.70) = 100.000%  kept
          HN    LEU   71 - HN    TRP   27  13.39 +/- 0.74   0.004% *  0.0160% (0.15  1.00   0.02   0.02) =   0.000%
        T HN    THR   26 - HN    ALA   91  19.02 +/- 1.25   0.000% *  0.1234% (0.12 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ALA   91  22.42 +/- 1.62   0.000% *  0.0020% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 309 (8.62, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.117, support = 6.75, residual support = 32.1:
        T HN    GLN   90 - HN    ALA   91   2.72 +/- 0.43  99.861% * 91.0962% (0.12 10.00   6.75  32.10) = 100.000%  kept
        T HN    GLN   90 - HN    TRP   27  17.09 +/- 1.76   0.002% *  7.3725% (0.95 10.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  10.93 +/- 1.72   0.043% *  0.1735% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    ALA   91  10.08 +/- 1.52   0.074% *  0.0507% (0.07  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  18.17 +/- 1.73   0.002% *  0.7794% (1.00  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.69 +/- 0.96   0.017% *  0.0214% (0.03  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  21.88 +/- 1.81   0.001% *  0.4100% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  20.21 +/- 2.39   0.001% *  0.0963% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 310 (8.80, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.988, support = 5.26, residual support = 50.2:
        T HN    ASN   28 - HN    TRP   27   2.75 +/- 0.10  91.010% * 94.8238% (0.99 10.00   5.27  50.50) =  99.491%  kept
          HN    GLU-  25 - HN    TRP   27   4.06 +/- 0.12   8.899% *  4.9581% (0.38  1.00   2.76   0.36) =   0.509%  kept
          HN    ASP-  44 - HN    TRP   27   9.70 +/- 1.07   0.074% *  0.0393% (0.41  1.00   0.02   0.02) =   0.000%
        T HN    ASN   28 - HN    ALA   91  18.69 +/- 1.12   0.001% *  0.1172% (0.12 10.00   0.02   0.02) =   0.000%
          HN    ASP-  44 - HN    ALA   91  12.62 +/- 1.52   0.013% *  0.0049% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    TRP   27  19.19 +/- 0.84   0.001% *  0.0466% (0.49  1.00   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    ALA   91  17.59 +/- 1.12   0.002% *  0.0044% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    ALA   91  27.09 +/- 1.69   0.000% *  0.0058% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 311 (7.18, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 2.35, residual support = 107.8:
      O   HD1   TRP   27 - HE1   TRP   27   2.64 +/- 0.00  99.412% * 99.6433% (0.76  10.0   2.35 107.84) =  99.999%  kept
          HE21  GLN   30 - HE1   TRP   27   8.20 +/- 2.08   0.584% *  0.1292% (0.99   1.0   0.02   0.02) =   0.001%
          QD    PHE   59 - HE1   TRP   27  15.48 +/- 1.76   0.003% *  0.0996% (0.76   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE1   TRP   27  20.35 +/- 2.71   0.001% *  0.1278% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 312 (6.73, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 1.74, residual support = 107.8:
      O   HZ2   TRP   27 - HE1   TRP   27   2.85 +/- 0.00  99.993% * 99.8756% (0.45  10.0   1.74 107.84) = 100.000%  kept
          HZ    PHE   72 - HE1   TRP   27  14.78 +/- 1.76   0.007% *  0.1244% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 313 (8.30, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.22, residual support = 33.4:
          HN    GLU-  29 - HN    ASN   28   2.85 +/- 0.11  83.916% * 67.1117% (0.98   5.41  35.78) =  91.506%  kept
          HN    GLN   30 - HN    ASN   28   3.76 +/- 0.06  16.064% * 32.5437% (0.80   3.21   8.35) =   8.494%  kept
          HN    ASP-  86 - HN    ASN   28  12.56 +/- 1.48   0.015% *  0.2197% (0.87   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    ASN   28  16.69 +/- 0.62   0.002% *  0.0343% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    ASN   28  18.91 +/- 2.33   0.001% *  0.0564% (0.22   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    ASN   28  20.18 +/- 3.48   0.001% *  0.0343% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 314 (7.74, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 5.27, residual support = 50.5:
          HN    TRP   27 - HN    ASN   28   2.75 +/- 0.10  99.946% * 98.6908% (0.99   5.27  50.50) = 100.000%  kept
          HD1   TRP   87 - HN    ASN   28  11.88 +/- 1.33   0.020% *  0.2292% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    ASN   28  13.39 +/- 1.71   0.010% *  0.1418% (0.38   0.02   0.02) =   0.000%
          HN    THR   39 - HN    ASN   28  14.12 +/- 0.28   0.006% *  0.2445% (0.65   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    ASN   28  12.30 +/- 0.27   0.013% *  0.0942% (0.25   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   28  18.69 +/- 1.12   0.001% *  0.2888% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    ASN   28  20.80 +/- 1.54   0.001% *  0.2596% (0.69   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    ASN   28  16.62 +/- 1.70   0.003% *  0.0511% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 315 (7.17, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.414, support = 5.33, residual support = 50.1:
          HD1   TRP   27 - HN    ASN   28   4.11 +/- 0.62  95.612% * 83.7199% (0.41   5.37  50.50) =  99.174%  kept
          HE21  GLN   30 - HN    ASN   28   8.45 +/- 0.96   4.367% * 15.2674% (0.76   0.53   8.35) =   0.826%  kept
          HH2   TRP   49 - HN    ASN   28  23.25 +/- 3.25   0.008% *  0.7007% (0.92   0.02   0.02) =   0.000%
          QD    PHE   59 - HN    ASN   28  19.18 +/- 1.66   0.013% *  0.3121% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.23 A, kept.
 
    Peak 316 (6.96, 8.80, 115.33 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.74, residual support = 106.2:
          HD22  ASN   28 - HN    ASN   28   2.78 +/- 0.54  99.993% * 99.9340% (0.92   5.74 106.18) = 100.000%  kept
          QE    PHE   72 - HN    ASN   28  14.93 +/- 0.70   0.007% *  0.0660% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.77 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 = 2.84, residual support = 106.2:
      O   HD22  ASN   28 - HD21  ASN   28   1.73 +/- 0.00 100.000% * 99.9543% (0.98  10.0   2.84 106.18) = 100.000%  kept
          QE    PHE   72 - HD21  ASN   28  15.44 +/- 0.97   0.000% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 318 (4.18, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 1.27, residual support = 2.66:
          HA    GLU-  25 - HD21  ASN   28   4.64 +/- 0.11  98.808% * 96.5836% (1.00   1.27   2.66) =  99.988%  kept
          HA    SER   82 - HD21  ASN   28  11.18 +/- 2.52   1.035% *  0.8642% (0.57   0.02   0.02) =   0.009%
          HA    ILE   19 - HD21  ASN   28  13.94 +/- 0.76   0.148% *  1.4439% (0.95   0.02   0.02) =   0.002%
          HA    CYS   53 - HD21  ASN   28  21.86 +/- 1.33   0.010% *  1.1084% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.33 A, kept.
 
    Peak 319 (4.14, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.833, support = 5.99, residual support = 105.0:
      O   HA    ASN   28 - HN    ASN   28   2.73 +/- 0.04  93.323% * 86.1896% (0.84  10.0   6.01 106.18) =  98.906%  kept
          HA    THR   26 - HN    ASN   28   4.29 +/- 0.21   6.654% * 13.3659% (0.65   1.0   4.00   0.02) =   1.094%  kept
          HA    ALA   34 - HN    ASN   28  11.73 +/- 0.29   0.015% *  0.0996% (0.97   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASN   28  14.71 +/- 2.47   0.007% *  0.1030% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASN   28  23.58 +/- 1.08   0.000% *  0.0895% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASN   28  27.04 +/- 1.48   0.000% *  0.0976% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   28  24.02 +/- 1.97   0.000% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   28  28.27 +/- 3.47   0.000% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 320 (4.50, 7.73, 123.24 ppm):
    10 chemical-shift based assignments, quality = 0.906, support = 5.19, residual support = 101.4:
      O   HA    TRP   27 - HN    TRP   27   2.76 +/- 0.03  58.162% * 90.4766% (0.97  10.0   5.35 107.84) =  93.134%  kept
      O   HA    ALA   91 - HN    ALA   91   2.92 +/- 0.03  41.821% *  9.2758% (0.10  10.0   3.12  14.57) =   6.866%  kept
          HA    PRO   52 - HN    ALA   91  13.27 +/- 2.77   0.008% *  0.0080% (0.08   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  19.51 +/- 1.41   0.001% *  0.0751% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  14.25 +/- 1.15   0.003% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.43 +/- 1.01   0.000% *  0.0606% (0.65   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  18.31 +/- 1.51   0.001% *  0.0112% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.64 +/- 1.36   0.000% *  0.0644% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    ALA   91  14.97 +/- 1.50   0.003% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    TRP   27  26.25 +/- 2.08   0.000% *  0.0186% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 321 (4.22, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.48, residual support = 22.7:
          HB    THR   26 - HN    TRP   27   2.96 +/- 0.12  99.954% * 99.0103% (0.99   4.48  22.70) = 100.000%  kept
          HA    SER   82 - HN    TRP   27  12.41 +/- 1.48   0.024% *  0.0781% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    TRP   27  21.90 +/- 1.24   0.001% *  0.4303% (0.97   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   91  12.63 +/- 0.75   0.019% *  0.0096% (0.02   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA   91  19.39 +/- 1.44   0.001% *  0.0546% (0.12   0.02   0.02) =   0.000%
          HA    SER  117 - HN    TRP   27  27.50 +/- 1.43   0.000% *  0.3238% (0.73   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    ALA   91  22.45 +/- 1.71   0.001% *  0.0532% (0.12   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   91  22.23 +/- 1.78   0.001% *  0.0400% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 322 (4.77, 8.12, 116.43 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 0.02, residual support = 0.02:
          HA    ASP- 105 - HN    THR   26  23.35 +/- 1.27 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 4.33 A violated in 20 structures by 19.01 A, eliminated.
    Peak unassigned.
 
    Peak 323 (4.20, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.214, support = 4.32, residual support = 34.5:
      O   HB    THR   26 - HN    THR   26   2.15 +/- 0.12  95.558% * 21.3631% (0.15  10.0   4.16  35.45) =  85.455%  kept
      O   HA    GLU-  25 - HN    THR   26   3.62 +/- 0.02   4.433% * 78.3875% (0.57  10.0   5.26  28.88) =  14.545%  kept
          HA    SER   82 - HN    THR   26  12.37 +/- 1.18   0.003% *  0.1381% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    THR   26  11.12 +/- 0.46   0.005% *  0.0472% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   26  23.53 +/- 1.34   0.000% *  0.0427% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    THR   26  22.08 +/- 1.69   0.000% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 324 (4.82, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.715, support = 3.16, residual support = 6.36:
          HB    THR   23 - HN    GLU-  25   3.85 +/- 0.47  65.443% * 39.2275% (0.53   3.42   6.37) =  58.242%  kept
          HA    THR   23 - HN    GLU-  25   4.36 +/- 0.27  30.689% * 59.9384% (0.98   2.80   6.37) =  41.732%  kept
          HA    LEU   80 - HN    GLU-  25   7.19 +/- 2.41   3.823% *  0.2998% (0.69   0.02   0.02) =   0.026%
          HA    ASP-  78 - HN    GLU-  25  13.62 +/- 1.32   0.044% *  0.4129% (0.95   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    GLU-  25  23.60 +/- 1.48   0.001% *  0.1214% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.17 A, kept.
 
    Peak 325 (4.19, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.87, residual support = 127.5:
      O   HA    GLU-  25 - HN    GLU-  25   2.69 +/- 0.01  99.937% * 99.7793% (0.87  10.0   5.87 127.47) = 100.000%  kept
          HA    SER   82 - HN    GLU-  25   9.79 +/- 1.38   0.056% *  0.1032% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLU-  25  13.46 +/- 0.33   0.006% *  0.0744% (0.65   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLU-  25  22.01 +/- 1.78   0.000% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 326 (4.83, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.706, support = 5.49, residual support = 26.4:
      O   HA    THR   23 - HN    VAL   24   2.63 +/- 0.20  63.154% * 92.0930% (0.73  10.0   5.49  26.37) =  95.984%  kept
          HB    THR   23 - HN    VAL   24   3.15 +/- 0.60  31.497% *  7.7192% (0.22   1.0   5.47  26.37) =   4.013%  kept
          HA    LEU   80 - HN    VAL   24   5.33 +/- 2.62   5.310% *  0.0433% (0.34   1.0   0.02   8.79) =   0.004%
          HA    ASP-  78 - HN    VAL   24  11.42 +/- 1.30   0.012% *  0.1224% (0.97   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    VAL   24  10.20 +/- 1.58   0.027% *  0.0222% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 327 (4.80, 7.33, 104.59 ppm):
    5 chemical-shift based assignments, quality = 0.651, support = 3.14, residual support = 19.0:
      O   HA    THR   23 - HN    THR   23   2.30 +/- 0.18  92.353% * 37.7551% (0.61  10.0   3.04  19.04) =  88.510%  kept
      O   HB    THR   23 - HN    THR   23   3.62 +/- 0.34   7.287% * 62.1094% (1.00  10.0   3.94  19.04) =  11.489%  kept
          HA    LEU   80 - HN    THR   23   7.46 +/- 1.59   0.353% *  0.0589% (0.95   1.0   0.02   5.63) =   0.001%
          HA    ASP-  78 - HN    THR   23  11.88 +/- 1.07   0.006% *  0.0192% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    THR   23  22.72 +/- 1.28   0.000% *  0.0575% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 328 (4.64, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.723, support = 0.0199, residual support = 0.371:
          HA    ALA   20 - HN    THR   23   5.33 +/- 0.24  99.606% * 46.5057% (0.73   0.02   0.37) =  99.547%  kept
          HA    LEU   71 - HN    THR   23  13.56 +/- 0.63   0.394% * 53.4943% (0.84   0.02   0.02) =   0.453%
    Distance limit 3.90 A violated in 19 structures by 1.43 A, eliminated.
    Peak unassigned.
 
    Peak 329 (4.22, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 2.59, residual support = 13.0:
          HB    THR   26 - HN    THR   23   3.83 +/- 0.08  99.866% * 98.5647% (0.99   2.59  13.05) = 100.000%  kept
          HA    SER   82 - HN    THR   23  12.16 +/- 1.17   0.129% *  0.1347% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   23  20.90 +/- 1.52   0.004% *  0.7422% (0.97   0.02   0.02) =   0.000%
          HA    SER  117 - HN    THR   23  27.79 +/- 1.41   0.001% *  0.5585% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.21 A, kept.
 
    Peak 330 (7.61, 6.97, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 2.84, residual support = 106.2:
      O   HD21  ASN   28 - HD22  ASN   28   1.73 +/- 0.00  99.914% * 99.7763% (0.98  10.0   2.84 106.18) = 100.000%  kept
          HZ2   TRP   87 - HD22  ASN   28   7.14 +/- 2.21   0.086% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HD22  ASN   28  15.13 +/- 1.67   0.000% *  0.0495% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HD22  ASN   28  21.47 +/- 1.04   0.000% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HD22  ASN   28  23.55 +/- 1.15   0.000% *  0.0314% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (8.79, 8.29, 121.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 5.41, residual support = 35.8:
        T HN    ASN   28 - HN    GLU-  29   2.85 +/- 0.11  99.031% * 99.7796% (0.76 10.00   5.41  35.78) =  99.999%  kept
          HN    GLU-  25 - HN    GLU-  29   6.24 +/- 0.33   0.955% *  0.0948% (0.73  1.00   0.02   0.02) =   0.001%
          HN    ASP-  44 - HN    GLU-  29  13.05 +/- 1.01   0.012% *  0.0998% (0.76  1.00   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    GLU-  29  20.00 +/- 0.95   0.001% *  0.0258% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 332 (7.84, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 7.03, residual support = 50.8:
        T HN    LEU   31 - HN    GLN   30   2.52 +/- 0.09  99.990% * 98.4622% (0.73 10.00   7.03  50.79) = 100.000%  kept
        T HN    PHE   55 - HN    GLN   30  26.12 +/- 1.42   0.000% *  1.3086% (0.97 10.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   30  18.17 +/- 1.47   0.001% *  0.0713% (0.53  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LYS+  99  12.63 +/- 0.78   0.007% *  0.0065% (0.05  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   30  21.50 +/- 1.13   0.000% *  0.0877% (0.65  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   30  25.33 +/- 1.53   0.000% *  0.0419% (0.31  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    LYS+  99  18.94 +/- 1.04   0.001% *  0.0058% (0.04  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LYS+  99  24.36 +/- 2.80   0.000% *  0.0086% (0.06  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    LYS+  99  20.51 +/- 2.86   0.001% *  0.0047% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    LYS+  99  24.88 +/- 2.69   0.000% *  0.0027% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 334 (7.85, 8.06, 119.69 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.86, residual support = 45.5:
        T HN    LEU   31 - HN    GLN   32   2.74 +/- 0.10  99.908% * 99.0995% (0.98 10.00   5.86  45.48) = 100.000%  kept
          HN    LYS+  38 - HN    GLN   32   8.84 +/- 0.13   0.091% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
        T HN    PHE   55 - HN    GLN   32  28.42 +/- 1.40   0.000% *  0.6945% (0.69 10.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   32  23.35 +/- 1.07   0.000% *  0.0956% (0.95  1.00   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   32  19.57 +/- 2.02   0.001% *  0.0225% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   32  27.85 +/- 1.37   0.000% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 335 (6.81, 7.57, 112.27 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 1.0, residual support = 44.2:
      O   HE22  GLN   32 - HE21  GLN   32   1.73 +/- 0.00 100.000% * 99.4510% (0.87  10.0   1.00  44.21) = 100.000%  kept
          HE22  GLN   17 - HE21  GLN   32  23.74 +/- 2.88   0.000% *  0.2248% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   HIS  122 - HE21  GLN   32  26.36 +/- 2.22   0.000% *  0.0708% (0.31   1.0   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   32  30.94 +/- 2.47   0.000% *  0.1752% (0.76   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   32  34.78 +/- 1.77   0.000% *  0.0782% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 336 (7.58, 6.80, 112.28 ppm):
    15 chemical-shift based assignments, quality = 0.835, support = 1.0, residual support = 44.2:
      O T HE21  GLN   32 - HE22  GLN   32   1.73 +/- 0.00  99.993% * 98.9152% (0.83  10.0 10.00   1.00  44.21) = 100.000%  kept
          HN    ALA   84 - HE22  GLN   90   9.80 +/- 1.97   0.006% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   90  19.33 +/- 2.54   0.000% *  0.0328% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   32  21.70 +/- 2.15   0.000% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   90  19.70 +/- 2.84   0.000% *  0.0447% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   17  14.46 +/- 1.29   0.000% *  0.0086% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   17  23.74 +/- 2.88   0.000% *  0.1186% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   90  30.94 +/- 2.47   0.000% *  0.3770% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   17  20.12 +/- 2.57   0.000% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   32  27.73 +/- 0.99   0.000% *  0.0718% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   90  25.78 +/- 2.26   0.000% *  0.0274% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   17  23.42 +/- 2.27   0.000% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   32  33.86 +/- 1.76   0.000% *  0.1174% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   32  32.75 +/- 1.45   0.000% *  0.0860% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   17  25.83 +/- 2.26   0.000% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 338 (7.75, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.88, residual support = 51.5:
          HN    GLU-  36 - HN    ASN   35   2.31 +/- 0.02  98.996% * 98.7867% (0.90   5.88  51.47) =  99.996%  kept
          HN    THR   39 - HN    ASN   35   4.99 +/- 0.19   0.986% *  0.3618% (0.97   0.02   0.02) =   0.004%
          HN    LYS+ 102 - HN    ASN   35  10.81 +/- 1.49   0.014% *  0.2722% (0.73   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    ASN   35  12.21 +/- 0.33   0.005% *  0.1541% (0.41   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    ASN   35  19.03 +/- 1.92   0.000% *  0.3674% (0.98   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   35  25.64 +/- 1.56   0.000% *  0.0578% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 339 (6.53, 7.37, 110.13 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 2.0, residual support = 55.3:
      O T HD22  ASN   35 - HD21  ASN   35   1.73 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   2.00  55.32) = 100.000%  kept
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (4.38, 8.36, 120.50 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.55, residual support = 55.3:
      O   HA    ASN   35 - HN    ASN   35   2.85 +/- 0.01  99.701% * 99.5029% (0.98  10.0   4.55  55.32) = 100.000%  kept
          HA    LYS+  99 - HN    ASN   35   8.89 +/- 0.72   0.122% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ASN   35   8.30 +/- 0.36   0.170% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ASN   35  16.20 +/- 1.74   0.004% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ASN   35  18.37 +/- 3.46   0.003% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASN   35  22.81 +/- 3.81   0.001% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ASN   35  26.71 +/- 1.63   0.000% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ASN   35  25.74 +/- 1.77   0.000% *  0.0346% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ASN   35  30.30 +/- 0.82   0.000% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 342 (7.19, 6.64, 111.61 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 2.44, residual support = 156.0:
      O   HE21  GLN   30 - HE22  GLN   30   1.73 +/- 0.00  98.251% * 99.6989% (0.90  10.0   2.44 156.00) =  99.998%  kept
          HD1   TRP   27 - HE22  GLN   30   5.69 +/- 2.13   1.748% *  0.1102% (0.99   1.0   0.02   0.02) =   0.002%
          HH2   TRP   49 - HE22  GLN   30  23.70 +/- 4.03   0.001% *  0.0807% (0.73   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HE22  GLN   30  15.68 +/- 1.65   0.000% *  0.1102% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 2.44, residual support = 156.0:
      O T HE22  GLN   30 - HE21  GLN   30   1.73 +/- 0.00  99.999% * 99.8775% (0.92  10.0 10.00   2.44 156.00) = 100.000%  kept
          HD22  ASN   69 - HE21  GLN   30  13.12 +/- 1.12   0.001% *  0.0656% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HE21  GLN   30  22.26 +/- 2.38   0.000% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 344 (4.46, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.235, support = 0.0198, residual support = 0.0198:
          HA    VAL   42 - HN    GLN   30  11.88 +/- 0.58   9.323% *  6.4793% (0.25   0.02   0.02) =  53.406%  kept
          HA    VAL   42 - HN    LYS+  99   7.99 +/- 0.66  86.574% *  0.4257% (0.02   0.02   0.02) =  32.581%  kept
          HA    GLN   90 - HN    GLN   30  21.39 +/- 1.16   0.259% * 25.0767% (0.97   0.02   0.02) =   5.748%  kept
          HA    ALA  110 - HN    GLN   30  25.61 +/- 2.45   0.103% * 25.9267% (1.00   0.02   0.02) =   2.356%  kept
          HA    VAL  107 - HN    GLN   30  22.45 +/- 0.80   0.200% *  8.8635% (0.34   0.02   0.02) =   1.569%  kept
          HA    VAL  107 - HN    LYS+  99  14.56 +/- 0.28   2.536% *  0.5823% (0.02   0.02   0.02) =   1.306%  kept
          HA    PHE   55 - HN    GLN   30  27.32 +/- 1.64   0.063% * 21.7040% (0.84   0.02   0.02) =   1.202%  kept
          HA    ALA   91 - HN    GLN   30  22.85 +/- 1.21   0.180% *  5.7850% (0.22   0.02   0.02) =   0.919%  kept
          HA    ALA  110 - HN    LYS+  99  21.05 +/- 1.24   0.297% *  1.7034% (0.07   0.02   0.02) =   0.447%
          HA    PHE   55 - HN    LYS+  99  24.86 +/- 2.93   0.179% *  1.4259% (0.05   0.02   0.02) =   0.226%
          HA    GLN   90 - HN    LYS+  99  23.76 +/- 1.57   0.130% *  1.6475% (0.06   0.02   0.02) =   0.190%
          HA    ALA   91 - HN    LYS+  99  23.01 +/- 0.85   0.156% *  0.3801% (0.01   0.02   0.02) =   0.052%
    Distance limit 4.23 A violated in 20 structures by 3.57 A, eliminated.
    Peak unassigned.
 
    Peak 346 (8.09, 7.95, 120.58 ppm):
    4 chemical-shift based assignments, quality = 0.815, support = 4.68, residual support = 39.8:
          HN    ALA   34 - HN    LYS+  33   2.44 +/- 0.06  65.395% * 79.2950% (0.90   4.61  43.58) =  88.249%  kept
          HN    GLN   32 - HN    LYS+  33   2.72 +/- 0.09  34.605% * 19.9540% (0.20   5.25  11.36) =  11.751%  kept
          HN    LEU   80 - HN    LYS+  33  18.75 +/- 1.50   0.000% *  0.3705% (0.97   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    LYS+  33  27.62 +/- 1.39   0.000% *  0.3805% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 347 (7.36, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 55.3:
      O   HD21  ASN   35 - HD22  ASN   35   1.73 +/- 0.00 100.000% * 99.5403% (0.73  10.0   2.00  55.32) = 100.000%  kept
          HD2   HIS   22 - HD22  ASN   35  19.97 +/- 1.95   0.000% *  0.1368% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HD22  ASN   35  22.10 +/- 0.85   0.000% *  0.0995% (0.73   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HD22  ASN   35  19.94 +/- 1.09   0.000% *  0.0468% (0.34   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HD22  ASN   35  20.45 +/- 1.53   0.000% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HD22  ASN   35  31.28 +/- 3.51   0.000% *  0.1344% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 348 (8.36, 7.76, 119.36 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 5.88, residual support = 51.5:
        T HN    ASN   35 - HN    GLU-  36   2.31 +/- 0.02  99.995% * 99.7986% (0.99 10.00   5.88  51.47) = 100.000%  kept
        T HN    LYS+  99 - HN    GLU-  36  12.34 +/- 0.62   0.004% *  0.1363% (0.14 10.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLU-  36  19.09 +/- 3.85   0.001% *  0.0651% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 349 (7.74, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.331, support = 3.63, residual support = 15.5:
          HN    GLU-  36 - HN    SER   37   2.42 +/- 0.06  85.363% * 38.6355% (0.25   3.97  18.87) =  79.374%  kept
          HN    THR   39 - HN    SER   37   3.25 +/- 0.09  14.628% * 58.5881% (0.65   2.32   2.76) =  20.626%  kept
          HN    TRP   27 - HN    SER   37  14.76 +/- 0.28   0.002% *  0.7731% (0.99   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    SER   37  12.20 +/- 1.35   0.006% *  0.1056% (0.14   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    SER   37  22.06 +/- 1.75   0.000% *  0.4731% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    SER   37  21.38 +/- 2.49   0.000% *  0.2928% (0.38   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    SER   37  23.19 +/- 1.44   0.000% *  0.5358% (0.69   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    SER   37  28.34 +/- 1.52   0.000% *  0.5961% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 350 (7.74, 7.88, 117.58 ppm):
    8 chemical-shift based assignments, quality = 0.936, support = 5.18, residual support = 27.2:
          HN    THR   39 - HN    LYS+  38   2.59 +/- 0.09  87.144% * 83.1858% (0.95   5.28  27.94) =  97.274%  kept
          HN    GLU-  36 - HN    LYS+  38   3.58 +/- 0.04  12.830% * 15.8318% (0.57   1.68   0.63) =   2.726%  kept
          HN    LYS+ 102 - HN    LYS+  38  10.71 +/- 1.29   0.023% *  0.1250% (0.38   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    LYS+  38  15.63 +/- 0.31   0.002% *  0.2545% (0.76   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  38  22.02 +/- 1.83   0.000% *  0.3074% (0.92   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    LYS+  38  23.02 +/- 1.36   0.000% *  0.1136% (0.34   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    LYS+  38  21.04 +/- 2.64   0.000% *  0.0451% (0.14   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    LYS+  38  28.17 +/- 1.51   0.000% *  0.1369% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 351 (4.40, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.375, support = 4.68, residual support = 50.7:
      O   HA    ASN   35 - HN    GLU-  36   3.58 +/- 0.01  87.856% * 83.8023% (0.38  10.0   4.70  51.47) =  97.682%  kept
          HA    SER   37 - HN    GLU-  36   5.01 +/- 0.05  11.729% * 14.8876% (0.38   1.0   3.55  18.87) =   2.317%  kept
          HA    LEU   40 - HN    GLU-  36   9.70 +/- 0.27   0.225% *  0.2233% (1.00   1.0   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLU-  36  10.38 +/- 0.70   0.160% *  0.0557% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    GLU-  36  16.49 +/- 1.84   0.013% *  0.2112% (0.95   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    GLU-  36  17.97 +/- 3.56   0.011% *  0.2112% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    GLU-  36  20.12 +/- 1.04   0.003% *  0.0838% (0.38   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  36  23.84 +/- 3.97   0.001% *  0.1175% (0.53   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  36  27.22 +/- 1.76   0.001% *  0.2155% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  36  24.99 +/- 0.88   0.001% *  0.1001% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  36  28.48 +/- 1.69   0.000% *  0.0918% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 352 (4.08, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.06, residual support = 86.7:
      O   HA    GLU-  36 - HN    GLU-  36   2.84 +/- 0.02  99.999% * 99.7892% (0.69  10.0   6.06  86.68) = 100.000%  kept
          HA    LYS+  66 - HN    GLU-  36  22.03 +/- 0.89   0.000% *  0.0998% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    GLU-  36  25.52 +/- 1.69   0.000% *  0.0822% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLU-  36  23.69 +/- 4.79   0.001% *  0.0287% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 353 (4.42, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.08, residual support = 26.7:
      O   HA    SER   37 - HN    SER   37   2.92 +/- 0.00  99.811% * 99.4774% (0.97  10.0   4.08  26.70) = 100.000%  kept
          HA    LEU   40 - HN    SER   37   8.51 +/- 0.15   0.163% *  0.0542% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    SER   37  15.17 +/- 1.94   0.008% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    SER   37  13.44 +/- 0.27   0.011% *  0.0462% (0.45   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    SER   37  16.87 +/- 3.47   0.006% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    SER   37  18.99 +/- 1.18   0.001% *  0.0995% (0.97   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    SER   37  25.07 +/- 0.75   0.000% *  0.1022% (0.99   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    SER   37  26.17 +/- 1.71   0.000% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (4.08, 7.91, 112.05 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.29, residual support = 18.9:
      O   HA    GLU-  36 - HN    SER   37   3.47 +/- 0.01  99.997% * 99.6452% (0.34  10.0   4.29  18.87) = 100.000%  kept
          HA    LYS+  66 - HN    SER   37  20.26 +/- 0.97   0.003% *  0.2819% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    SER   37  26.63 +/- 1.48   0.001% *  0.0728% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 355 (4.41, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.81, residual support = 13.7:
      O   HA    SER   37 - HN    LYS+  38   3.40 +/- 0.04  98.994% * 99.2058% (0.73  10.0   4.81  13.72) =  99.999%  kept
          HA    LEU   40 - HN    LYS+  38   7.39 +/- 0.15   0.943% *  0.1141% (0.84   1.0   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    LYS+  38  15.80 +/- 1.93   0.014% *  0.1318% (0.97   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LYS+  38  17.96 +/- 3.35   0.009% *  0.1318% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    LYS+  38  12.92 +/- 0.21   0.033% *  0.0270% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LYS+  38  19.35 +/- 1.12   0.003% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  38  21.05 +/- 4.14   0.003% *  0.0304% (0.22   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LYS+  38  25.91 +/- 1.71   0.001% *  0.1292% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LYS+  38  25.05 +/- 0.76   0.001% *  0.1094% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  38  27.28 +/- 1.85   0.000% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (4.09, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 0.632, residual support = 0.632:
          HA    GLU-  36 - HN    LYS+  38   4.18 +/- 0.07  99.973% * 93.5619% (0.97   0.63   0.63) = 100.000%  kept
          HA    ALA  124 - HN    LYS+  38  20.57 +/- 4.98   0.015% *  1.4923% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  66 - HN    LYS+  38  19.85 +/- 0.91   0.009% *  1.0458% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  38  27.06 +/- 1.57   0.001% *  2.7495% (0.90   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LYS+  38  29.71 +/- 2.04   0.001% *  1.1506% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 357 (4.27, 7.75, 114.55 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.84, residual support = 38.1:
      O   HA    THR   39 - HN    THR   39   2.85 +/- 0.01  99.981% * 99.4345% (1.00  10.0   3.84  38.15) = 100.000%  kept
          HA    ILE  103 - HN    THR   39  12.81 +/- 0.65   0.013% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   39  19.26 +/- 3.77   0.003% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    THR   39  17.04 +/- 0.33   0.002% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    THR   39  23.17 +/- 2.19   0.001% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    THR   39  25.71 +/- 1.02   0.000% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    THR   39  25.80 +/- 1.27   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   39  26.72 +/- 1.78   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   39  31.70 +/- 2.89   0.000% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 358 (4.27, 8.88, 128.13 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.03, residual support = 23.7:
      O   HA    THR   39 - HN    LEU   40   2.28 +/- 0.04  99.987% * 99.4345% (1.00  10.0   4.03  23.67) = 100.000%  kept
          HA    ILE  103 - HN    LEU   40  10.74 +/- 0.87   0.010% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   40  14.36 +/- 0.32   0.002% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   40  19.53 +/- 2.30   0.001% *  0.0760% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   40  20.52 +/- 3.17   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU   40  25.13 +/- 1.15   0.000% *  0.0986% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU   40  24.21 +/- 1.19   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   40  28.58 +/- 2.86   0.000% *  0.0975% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU   40  26.06 +/- 1.53   0.000% *  0.0603% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 359 (4.40, 8.88, 128.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.22, residual support = 104.7:
      O   HA    LEU   40 - HN    LEU   40   2.81 +/- 0.03  96.608% * 99.4414% (1.00  10.0   5.22 104.69) =  99.999%  kept
          HA    LYS+  99 - HN    LEU   40   5.23 +/- 0.68   3.061% *  0.0248% (0.25   1.0   0.02  11.63) =   0.001%
          HA    ASN   35 - HN    LEU   40   8.31 +/- 0.26   0.147% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    LEU   40   8.47 +/- 0.12   0.128% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU   40  12.01 +/- 1.90   0.027% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LEU   40  14.41 +/- 4.05   0.015% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   40  16.45 +/- 2.59   0.004% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LEU   40  14.24 +/- 1.10   0.006% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU   40  19.49 +/- 1.70   0.001% *  0.0960% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU   40  21.03 +/- 1.99   0.001% *  0.0409% (0.41   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   40  20.70 +/- 0.63   0.001% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (4.85, 9.02, 128.16 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 4.51, residual support = 74.8:
      O   HA    VAL   41 - HN    VAL   41   2.92 +/- 0.02  99.990% * 99.4222% (0.22  10.0   4.51  74.76) = 100.000%  kept
          HA    PHE   45 - HN    VAL   41  14.62 +/- 0.40   0.006% *  0.3413% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   41  16.72 +/- 1.20   0.003% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   41  23.55 +/- 1.01   0.000% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 361 (4.40, 9.02, 128.16 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.02, residual support = 20.2:
      O   HA    LEU   40 - HN    VAL   41   2.24 +/- 0.04  86.705% * 99.4414% (1.00  10.0   5.02  20.18) =  99.996%  kept
          HA    LYS+  99 - HN    VAL   41   3.37 +/- 0.68  13.241% *  0.0248% (0.25   1.0   0.02   0.02) =   0.004%
          HA    ASN   35 - HN    VAL   41   8.03 +/- 0.33   0.042% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   41  11.09 +/- 0.22   0.006% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    VAL   41  14.41 +/- 1.82   0.002% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    VAL   41  15.67 +/- 3.52   0.002% *  0.0523% (0.53   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   41  19.16 +/- 2.89   0.000% *  0.0941% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   41  19.09 +/- 1.87   0.000% *  0.0960% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   41  15.46 +/- 0.78   0.001% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   41  17.89 +/- 0.86   0.000% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    VAL   41  19.53 +/- 1.82   0.000% *  0.0409% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 362 (9.69, 9.02, 128.16 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 5.43, residual support = 28.0:
        T HN    LEU   98 - HN    VAL   41   3.28 +/- 0.69 100.000% *100.0000% (0.97 10.00   5.43  28.00) = 100.000%  kept
    Distance limit 4.11 A violated in 1 structures by 0.07 A, kept.
 
    Peak 363 (5.25, 8.95, 126.35 ppm):
    1 chemical-shift based assignment, quality = 0.223, support = 1.83, residual support = 5.78:
          HA    PHE   72 - HN    VAL   42   3.84 +/- 0.68 100.000% *100.0000% (0.22   1.83   5.78) = 100.000%  kept
    Distance limit 4.15 A violated in 0 structures by 0.12 A, kept.
 
    Peak 364 (4.85, 8.95, 126.35 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 5.15, residual support = 24.0:
      O   HA    VAL   41 - HN    VAL   42   2.21 +/- 0.04  99.992% * 99.4222% (0.22  10.0   5.15  24.01) = 100.000%  kept
          HA    PHE   45 - HN    VAL   42  11.28 +/- 0.21   0.006% *  0.3413% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   42  13.33 +/- 1.19   0.002% *  0.0689% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   42  20.15 +/- 0.65   0.000% *  0.1676% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 365 (4.45, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 5.41, residual support = 88.1:
      O   HA    VAL   42 - HN    VAL   42   2.93 +/- 0.01  99.953% * 99.6568% (0.87  10.0   5.41  88.10) = 100.000%  kept
          HA    GLN   17 - HN    VAL   42  12.13 +/- 0.67   0.022% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   42  13.00 +/- 0.50   0.014% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   42  14.54 +/- 0.43   0.007% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   42  20.39 +/- 2.36   0.002% *  0.0997% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   42  18.59 +/- 2.26   0.002% *  0.0650% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   42  19.83 +/- 1.09   0.001% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 5.04, residual support = 39.4:
      O   HA    VAL   42 - HN    VAL   43   2.21 +/- 0.02  99.989% * 99.7026% (1.00  10.0   5.04  39.44) = 100.000%  kept
          HA    THR   46 - HN    VAL   43  11.26 +/- 0.59   0.006% *  0.0566% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   43  13.64 +/- 0.60   0.002% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   43  14.78 +/- 2.10   0.002% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   43  17.02 +/- 0.29   0.000% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   43  17.74 +/- 1.63   0.001% *  0.0526% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   43  16.18 +/- 0.98   0.001% *  0.0341% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 368 (4.90, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 2.75, residual support = 6.11:
          HA    LYS+  74 - HN    ASP-  44   3.76 +/- 0.57  98.839% * 96.0085% (0.28   2.75   6.11) =  99.992%  kept
          HA    VAL   41 - HN    ASP-  44   8.58 +/- 0.21   1.028% *  0.4963% (0.20   0.02   0.02) =   0.005%
          HA    MET   92 - HN    ASP-  44  12.40 +/- 0.60   0.105% *  2.1756% (0.87   0.02   0.02) =   0.002%
          HA    HIS  122 - HN    ASP-  44  15.91 +/- 2.24   0.028% *  1.3196% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 1 structures by 0.26 A, kept.
 
    Peak 369 (4.67, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.71, residual support = 15.9:
      O   HA    VAL   43 - HN    ASP-  44   2.24 +/- 0.08  99.977% * 99.8182% (0.87  10.0   3.71  15.89) = 100.000%  kept
          HA    LEU   71 - HN    ASP-  44   9.81 +/- 0.68   0.016% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASP-  44  11.65 +/- 0.92   0.006% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   69 - HN    ASP-  44  15.56 +/- 0.67   0.001% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 370 (4.30, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.487, support = 3.77, residual support = 38.5:
      O   HA    ASP-  44 - HN    ASP-  44   2.91 +/- 0.02  99.921% * 98.9185% (0.49  10.0   3.77  38.53) = 100.000%  kept
          HB    THR   77 - HN    ASP-  44  11.64 +/- 1.20   0.033% *  0.0835% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP-  44  14.40 +/- 0.85   0.007% *  0.2028% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  44  12.20 +/- 1.00   0.022% *  0.0627% (0.31   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  44  14.76 +/- 1.32   0.008% *  0.1396% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  44  17.56 +/- 1.39   0.002% *  0.1992% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP-  44  15.36 +/- 0.71   0.005% *  0.0835% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  44  22.27 +/- 3.09   0.001% *  0.2032% (1.00   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  44  24.59 +/- 3.64   0.001% *  0.1069% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (8.02, 8.74, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.3, residual support = 27.1:
        T HN    THR   94 - HN    PHE   45   3.26 +/- 0.63  99.829% * 99.8815% (0.84 10.00   3.30  27.12) = 100.000%  kept
          HN    GLU-  79 - HN    PHE   45  11.25 +/- 1.24   0.171% *  0.1185% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.01 A, kept.
 
    Peak 372 (6.84, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.62, residual support = 80.2:
          QD    PHE   45 - HN    PHE   45   2.31 +/- 0.73  99.989% * 98.5418% (0.53   5.62  80.15) = 100.000%  kept
          HD2   HIS  122 - HN    PHE   45  13.47 +/- 1.20   0.008% *  0.6429% (0.97   0.02   0.02) =   0.000%
          HE22  GLN  116 - HN    PHE   45  18.04 +/- 1.41   0.001% *  0.6301% (0.95   0.02   0.02) =   0.000%
          HE22  GLN   17 - HN    PHE   45  18.05 +/- 1.54   0.001% *  0.1852% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.01 A, kept.
 
    Peak 373 (5.96, 8.74, 125.75 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 1.89, residual support = 1.89:
          HA    PHE   95 - HN    PHE   45   4.06 +/- 0.91 100.000% *100.0000% (1.00   1.89   1.89) = 100.000%  kept
    Distance limit 4.53 A violated in 1 structures by 0.18 A, kept.
 
    Peak 374 (4.86, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 4.0, residual support = 80.2:
      O   HA    PHE   45 - HN    PHE   45   2.92 +/- 0.02  99.958% * 99.9134% (0.99  10.0   4.00  80.15) = 100.000%  kept
          HA    VAL   41 - HN    PHE   45  12.10 +/- 0.45   0.020% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    PHE   45  12.60 +/- 1.04   0.018% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    PHE   45  16.79 +/- 1.54   0.003% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 375 (4.29, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.04, residual support = 19.7:
      O   HA    ASP-  44 - HN    PHE   45   2.30 +/- 0.04  99.900% * 99.3093% (1.00  10.0   4.04  19.74) = 100.000%  kept
          HB    THR   77 - HN    PHE   45   9.33 +/- 1.01   0.030% *  0.0984% (0.99   1.0   0.02   9.00) =   0.000%
          HA    GLU-  79 - HN    PHE   45  13.55 +/- 2.05   0.035% *  0.0602% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    PHE   45  13.28 +/- 1.61   0.006% *  0.0939% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    PHE   45   9.85 +/- 1.65   0.022% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    PHE   45  13.69 +/- 0.77   0.002% *  0.0984% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    PHE   45  13.76 +/- 0.69   0.002% *  0.0445% (0.45   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    PHE   45  14.41 +/- 0.84   0.002% *  0.0408% (0.41   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    PHE   45  18.31 +/- 0.45   0.000% *  0.0522% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    PHE   45  20.86 +/- 1.30   0.000% *  0.0373% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    PHE   45  28.26 +/- 3.52   0.000% *  0.0991% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    PHE   45  25.76 +/- 2.77   0.000% *  0.0483% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 376 (6.83, 8.46, 117.19 ppm):
    6 chemical-shift based assignments, quality = 0.223, support = 4.41, residual support = 12.5:
          QD    PHE   45 - HN    THR   46   4.38 +/- 0.34  99.718% * 94.4323% (0.22   4.41  12.48) =  99.998%  kept
          HE22  GLN   90 - HN    THR   46  13.07 +/- 1.96   0.198% *  0.2968% (0.15   0.02   0.02) =   0.001%
          HD2   HIS  122 - HN    THR   46  17.16 +/- 0.94   0.031% *  1.8196% (0.95   0.02   0.02) =   0.001%
          HE22  GLN   17 - HN    THR   46  17.97 +/- 2.51   0.038% *  1.1667% (0.61   0.02   0.02) =   0.000%
          HE22  GLN  116 - HN    THR   46  20.76 +/- 1.38   0.011% *  1.8564% (0.97   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    THR   46  24.25 +/- 1.18   0.004% *  0.4283% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.09 A, kept.
 
    Peak 377 (5.00, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.73, residual support = 3.93:
          HA    ASP-  76 - HN    THR   46   4.57 +/- 2.28  99.589% * 98.8084% (0.53   2.73   3.93) =  99.995%  kept
          HA    LEU   67 - HN    THR   46  19.08 +/- 1.24   0.411% *  1.1916% (0.87   0.02   0.02) =   0.005%
    Distance limit 4.00 A violated in 5 structures by 0.96 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   2.27 +/- 0.06  99.931% * 99.9017% (0.76  10.0   3.97  12.48) = 100.000%  kept
          HA    ASP-  78 - HN    THR   46   9.30 +/- 1.55   0.028% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    THR   46  10.00 +/- 1.99   0.039% *  0.0202% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    THR   46  14.90 +/- 0.51   0.001% *  0.0291% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 379 (4.44, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 3.25, residual support = 34.5:
      O   HA    THR   46 - HN    THR   46   2.93 +/- 0.03  99.709% * 99.4016% (0.57  10.0   3.25  34.52) = 100.000%  kept
          HA    GLN   90 - HN    THR   46   8.85 +/- 1.55   0.229% *  0.0599% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    THR   46  12.03 +/- 0.59   0.022% *  0.1752% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    THR   46  12.69 +/- 2.69   0.026% *  0.0438% (0.25   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    THR   46  14.20 +/- 1.33   0.009% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    THR   46  15.73 +/- 1.47   0.005% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    THR   46  25.39 +/- 0.78   0.000% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 381 (9.28, 8.46, 117.19 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 3.62, residual support = 11.9:
          HN    THR   77 - HN    THR   46   4.54 +/- 2.05 100.000% *100.0000% (1.00   3.62  11.93) = 100.000%  kept
    Distance limit 4.64 A violated in 4 structures by 0.68 A, kept.
 
    Peak 382 (4.57, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 2.35, residual support = 11.0:
      O   HA    ALA   47 - HN    ALA   47   2.93 +/- 0.02  80.594% * 96.8065% (0.90  10.0   2.36  11.03) =  99.318%  kept
          HA    CYS   50 - HN    ALA   47   4.70 +/- 1.47  18.192% *  2.9393% (0.73   1.0   0.75   6.99) =   0.681%  kept
          HA    TRP   49 - HN    ALA   47   6.58 +/- 0.67   0.928% *  0.0568% (0.53   1.0   0.02  14.66) =   0.001%
          HA    VAL  108 - HN    ALA   47  11.42 +/- 2.55   0.201% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ALA   47  13.19 +/- 2.98   0.082% *  0.0741% (0.69   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA   47  16.35 +/- 1.76   0.003% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 384 (4.44, 7.01, 120.97 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 3.07, residual support = 12.7:
      O   HA    THR   46 - HN    ALA   47   2.45 +/- 0.16  99.782% * 99.4016% (0.57  10.0   3.07  12.66) = 100.000%  kept
          HA    GLN   90 - HN    ALA   47   8.84 +/- 1.91   0.187% *  0.0599% (0.34   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    ALA   47  11.72 +/- 1.41   0.011% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   47  11.62 +/- 2.72   0.017% *  0.0438% (0.25   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ALA   47  15.35 +/- 0.79   0.002% *  0.1752% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    ALA   47  17.37 +/- 1.96   0.001% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   47  29.08 +/- 0.99   0.000% *  0.1136% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 386 (6.62, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 4.25, residual support = 14.7:
        T HN    TRP   49 - HN    SER   48   2.68 +/- 0.14  94.946% * 99.8547% (0.84 10.00   4.25  14.75) =  99.996%  kept
          HN    CYS   50 - HN    SER   48   4.91 +/- 1.12   5.035% *  0.0725% (0.61  1.00   0.02   0.02) =   0.004%
          HN    VAL   83 - HN    SER   48  13.21 +/- 2.26   0.018% *  0.0237% (0.20  1.00   0.02   0.02) =   0.000%
          HE22  GLN   30 - HN    SER   48  20.06 +/- 1.96   0.001% *  0.0491% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 387 (4.57, 9.44, 119.76 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 2.07, residual support = 6.15:
      O   HA    ALA   47 - HN    SER   48   2.35 +/- 0.09  98.841% * 99.6576% (0.90  10.0   2.07   6.15) =  99.999%  kept
          HA    TRP   49 - HN    SER   48   5.23 +/- 0.13   0.833% *  0.0585% (0.53   1.0   0.02  14.75) =   0.000%
          HA    CYS   50 - HN    SER   48   6.44 +/- 0.71   0.313% *  0.0807% (0.73   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    SER   48  16.27 +/- 3.54   0.008% *  0.0763% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    SER   48  14.87 +/- 2.80   0.005% *  0.0890% (0.80   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    SER   48  17.30 +/- 2.40   0.001% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 388 (7.35, 6.63, 116.57 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 4.94, residual support = 86.9:
          HD1   TRP   49 - HN    TRP   49   2.65 +/- 0.62  99.942% * 98.3021% (0.92   4.94  86.91) = 100.000%  kept
          QE    PHE   95 - HN    TRP   49  12.96 +/- 1.45   0.024% *  0.2790% (0.65   0.02   0.02) =   0.000%
          HN    THR   23 - HN    TRP   49  16.51 +/- 2.45   0.008% *  0.2962% (0.69   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   49  12.54 +/- 0.91   0.021% *  0.1075% (0.25   0.02   0.02) =   0.000%
          HD2   HIS   22 - HN    TRP   49  21.03 +/- 3.02   0.002% *  0.3453% (0.80   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    TRP   49  17.60 +/- 1.40   0.004% *  0.0853% (0.20   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   49  23.79 +/- 1.44   0.001% *  0.4227% (0.98   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    TRP   49  30.06 +/- 2.57   0.000% *  0.1618% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 389 (9.45, 6.63, 116.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 4.25, residual support = 14.7:
        T HN    SER   48 - HN    TRP   49   2.68 +/- 0.14 100.000% *100.0000% (0.84 10.00   4.25  14.75) = 100.000%  kept
    Distance limit 3.68 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 = 0.935, support = 2.07, residual support = 5.5:
      O   HA    CYS   50 - HN    CYS   50   2.62 +/- 0.31  60.228% * 48.8448% (0.98  10.0   1.70   7.09) =  60.143%  kept
      O   HA    TRP   49 - HN    CYS   50   3.02 +/- 0.52  38.241% * 50.9784% (0.87  10.0   2.64   3.09) =  39.855%  kept
          HA    ALA   47 - HN    CYS   50   5.39 +/- 1.23   1.503% *  0.0333% (0.57   1.0   0.02   6.99) =   0.001%
          HA1   GLY  109 - HN    CYS   50  14.59 +/- 3.19   0.021% *  0.0567% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    CYS   50  14.03 +/- 2.14   0.006% *  0.0263% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    CYS   50  19.85 +/- 2.58   0.000% *  0.0404% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   50  27.26 +/- 3.19   0.000% *  0.0200% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 391 (4.58, 6.63, 116.57 ppm):
    7 chemical-shift based assignments, quality = 0.865, support = 4.56, residual support = 85.3:
      O   HA    TRP   49 - HN    TRP   49   2.87 +/- 0.14  81.774% * 80.8581% (0.87  10.0   4.60  86.91) =  97.848%  kept
          HA    ALA   47 - HN    TRP   49   3.95 +/- 0.27  13.493% *  6.4454% (0.57   1.0   2.44  14.66) =   1.287%  kept
          HA    CYS   50 - HN    TRP   49   4.71 +/- 0.29   4.690% * 12.4689% (0.98   1.0   2.73   3.09) =   0.865%  kept
          HA1   GLY  109 - HN    TRP   49  15.67 +/- 3.55   0.029% *  0.0900% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    TRP   49  14.82 +/- 2.68   0.012% *  0.0418% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    TRP   49  19.23 +/- 2.49   0.001% *  0.0640% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    TRP   49  27.20 +/- 3.72   0.001% *  0.0318% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 392 (7.36, 11.10, 134.86 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 2.3, residual support = 86.9:
      O   HD1   TRP   49 - HE1   TRP   49   2.64 +/- 0.00  99.959% * 99.6863% (0.92  10.0   2.30  86.91) = 100.000%  kept
          QE    PHE   95 - HE1   TRP   49  13.30 +/- 2.45   0.038% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HE1   TRP   49  17.46 +/- 2.39   0.002% *  0.0269% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE1   TRP   49  22.26 +/- 2.77   0.000% *  0.1070% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HE1   TRP   49  24.69 +/- 3.09   0.000% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE1   TRP   49  29.48 +/- 3.63   0.000% *  0.0902% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 393 (4.58, 9.57, 121.38 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 1.39, residual support = 1.38:
      O   HA    CYS   50 - HN    GLY   51   2.80 +/- 0.42  86.362% * 95.7289% (0.98  10.0   1.39   1.38) =  99.407%  kept
          HA    TRP   49 - HN    GLY   51   4.56 +/- 0.87  12.799% *  3.8491% (0.87   1.0   0.63   0.02) =   0.592%  kept
          HA    ALA   47 - HN    GLY   51   7.81 +/- 1.19   0.533% *  0.0794% (0.57   1.0   0.02   0.02) =   0.001%
          HA1   GLY  109 - HN    GLY   51  13.55 +/- 3.52   0.276% *  0.1354% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    GLY   51  13.74 +/- 2.32   0.029% *  0.0629% (0.45   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY   51  21.99 +/- 2.63   0.001% *  0.0964% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY   51  28.01 +/- 3.49   0.000% *  0.0479% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 394 (4.26, 9.57, 121.38 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 2.87, residual support = 10.0:
      O   HA1   GLY   51 - HN    GLY   51   2.37 +/- 0.25  99.968% * 99.5416% (0.92  10.0   2.87  10.01) = 100.000%  kept
          HA    ALA   57 - HN    GLY   51  10.88 +/- 0.70   0.016% *  0.1069% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    GLY   51  12.03 +/- 1.73   0.008% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    GLY   51  17.04 +/- 2.92   0.002% *  0.0824% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLY   51  14.41 +/- 1.17   0.004% *  0.0240% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    GLY   51  18.15 +/- 2.52   0.001% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLY   51  24.30 +/- 3.32   0.000% *  0.0405% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    GLY   51  22.00 +/- 1.98   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLY   51  29.32 +/- 2.79   0.000% *  0.0901% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLY   51  36.13 +/- 5.96   0.000% *  0.0213% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (7.87, 8.09, 110.83 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 6.17, residual support = 31.5:
        T HN    ARG+  54 - HN    CYS   53   2.68 +/- 0.12  99.994% * 99.1159% (0.98 10.00   6.17  31.51) = 100.000%  kept
        T HN    ASP-  62 - HN    CYS   53  13.76 +/- 0.56   0.006% *  0.7343% (0.73 10.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    CYS   53  24.42 +/- 1.16   0.000% *  0.0654% (0.65  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    CYS   53  29.94 +/- 1.89   0.000% *  0.0845% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 396 (8.10, 7.87, 121.30 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 6.17, residual support = 31.5:
        T HN    CYS   53 - HN    ARG+  54   2.68 +/- 0.12  99.991% * 99.6035% (0.85 10.00   6.17  31.51) = 100.000%  kept
        T HN    CYS   53 - HN    ASP-  62  13.76 +/- 0.56   0.006% *  0.1864% (0.16 10.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ARG+  54  17.55 +/- 2.56   0.002% *  0.0763% (0.65  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ARG+  54  23.59 +/- 1.98   0.000% *  0.0379% (0.32  1.00   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ASP-  62  20.88 +/- 1.39   0.000% *  0.0143% (0.12  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ARG+  54  27.19 +/- 1.65   0.000% *  0.0629% (0.54  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ASP-  62  21.06 +/- 1.15   0.000% *  0.0118% (0.10  1.00   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ASP-  62  22.21 +/- 1.39   0.000% *  0.0071% (0.06  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 397 (7.67, 7.87, 121.30 ppm):
    6 chemical-shift based assignments, quality = 0.288, support = 0.02, residual support = 0.02:
          HN    GLN   17 - HN    ASP-  62  11.04 +/- 1.28  76.003% *  4.3392% (0.10   0.02   0.02) =  51.263%  kept
          HN    TRP   87 - HN    ARG+  54  19.03 +/- 1.71   3.819% * 29.7440% (0.69   0.02   0.02) =  17.656%  kept
          HD21  ASN   69 - HN    ASP-  62  14.68 +/- 0.87  14.749% *  5.8573% (0.14   0.02   0.02) =  13.429%  kept
          HN    GLN   17 - HN    ARG+  54  20.25 +/- 2.13   3.667% * 23.1904% (0.54   0.02   0.02) =  13.220%  kept
          HD21  ASN   69 - HN    ARG+  54  25.13 +/- 1.78   0.727% * 31.3037% (0.72   0.02   0.02) =   3.537%  kept
          HN    TRP   87 - HN    ASP-  62  22.77 +/- 0.94   1.034% *  5.5654% (0.13   0.02   0.02) =   0.895%  kept
    Distance limit 3.83 A violated in 20 structures by 6.63 A, eliminated.
    Peak unassigned.
 
    Peak 400 (7.83, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 3.94, residual support = 18.7:
          HN    PHE   55 - HN    ILE   56   2.52 +/- 0.20  99.810% * 99.1171% (0.95   3.94  18.72) = 100.000%  kept
          HN    ASP-  62 - HN    ILE   56   9.63 +/- 0.72   0.041% *  0.1642% (0.31   0.02   0.02) =   0.000%
          HN    ALA   88 - HZ2   TRP   87   8.31 +/- 0.29   0.084% *  0.0200% (0.04   0.02   5.30) =   0.000%
          HN    LEU   31 - HZ2   TRP   87  10.30 +/- 2.41   0.063% *  0.0087% (0.02   0.02   1.64) =   0.000%
          HN    ALA   88 - HN    ILE   56  19.92 +/- 1.43   0.001% *  0.4614% (0.87   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    ILE   56  24.11 +/- 1.21   0.000% *  0.1996% (0.38   0.02   0.02) =   0.000%
          HN    PHE   55 - HZ2   TRP   87  20.92 +/- 2.11   0.001% *  0.0218% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  62 - HZ2   TRP   87  20.36 +/- 1.35   0.001% *  0.0071% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 401 (7.40, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 5.19, residual support = 33.1:
          HN    ALA   57 - HN    ILE   56   3.02 +/- 0.60  99.901% * 99.0156% (0.87   5.19  33.13) = 100.000%  kept
          HE21  GLN  116 - HN    ILE   56  12.35 +/- 2.03   0.044% *  0.3522% (0.80   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE   56  18.49 +/- 2.15   0.015% *  0.3945% (0.90   0.02   0.02) =   0.000%
          HN    ALA  120 - HN    ILE   56  14.49 +/- 0.96   0.021% *  0.1808% (0.41   0.02   0.02) =   0.000%
          HE21  GLN   90 - HZ2   TRP   87  14.67 +/- 1.01   0.015% *  0.0171% (0.04   0.02   0.02) =   0.000%
          HN    ALA   57 - HZ2   TRP   87  20.08 +/- 1.93   0.004% *  0.0166% (0.04   0.02   0.02) =   0.000%
          HE21  GLN  116 - HZ2   TRP   87  24.73 +/- 2.73   0.001% *  0.0153% (0.03   0.02   0.02) =   0.000%
          HN    ALA  120 - HZ2   TRP   87  22.64 +/- 2.58   0.001% *  0.0078% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 2 structures by 0.20 A, kept.
 
    Peak 402 (4.41, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 0.154, support = 5.05, residual support = 123.4:
      O   HA    ILE   56 - HN    ILE   56   2.86 +/- 0.16  99.304% * 95.8570% (0.15  10.0   5.05 123.41) =  99.997%  kept
          HA    PRO   58 - HN    ILE   56   7.60 +/- 0.35   0.312% *  0.5877% (0.95   1.0   0.02   0.02) =   0.002%
          HA    THR   46 - HN    ILE   56   8.99 +/- 1.43   0.161% *  0.4975% (0.80   1.0   0.02   0.02) =   0.001%
          HA    THR   46 - HZ2   TRP   87  12.81 +/- 1.91   0.134% *  0.0216% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    ILE   56  16.21 +/- 1.38   0.004% *  0.4511% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ILE   56  15.93 +/- 1.46   0.004% *  0.1229% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ILE   56  21.28 +/- 1.42   0.001% *  0.5996% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ILE   56  21.72 +/- 2.11   0.001% *  0.5189% (0.84   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HZ2   TRP   87  10.68 +/- 2.12   0.065% *  0.0053% (0.01   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ILE   56  18.55 +/- 1.47   0.002% *  0.1383% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HZ2   TRP   87  14.74 +/- 2.65   0.008% *  0.0225% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ILE   56  27.26 +/- 2.23   0.000% *  0.5996% (0.97   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ILE   56  30.01 +/- 2.01   0.000% *  0.4511% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HZ2   TRP   87  21.03 +/- 1.72   0.001% *  0.0260% (0.04   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HZ2   TRP   87  20.23 +/- 1.32   0.001% *  0.0196% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HZ2   TRP   87  20.51 +/- 2.35   0.001% *  0.0196% (0.03   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HZ2   TRP   87  21.49 +/- 1.89   0.001% *  0.0255% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HZ2   TRP   87  25.10 +/- 3.89   0.000% *  0.0260% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HZ2   TRP   87  19.97 +/- 2.07   0.001% *  0.0042% (0.01   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HZ2   TRP   87  24.61 +/- 3.21   0.000% *  0.0060% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 403 (7.59, 7.41, 127.14 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.19, residual support = 33.1:
          HN    ILE   56 - HN    ALA   57   3.02 +/- 0.60  99.192% * 98.5710% (0.98   5.19  33.13) =  99.997%  kept
          HN    LEU   63 - HN    ALA   57   8.67 +/- 0.62   0.542% *  0.3577% (0.92   0.02   0.02) =   0.002%
          HN    LYS+ 111 - HN    ALA   57  10.56 +/- 2.55   0.259% *  0.3476% (0.90   0.02   0.02) =   0.001%
          HN    ALA   84 - HN    ALA   57  20.33 +/- 1.82   0.003% *  0.3476% (0.90   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   57  20.08 +/- 1.93   0.004% *  0.0679% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   57  23.46 +/- 1.37   0.001% *  0.1196% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   57  31.48 +/- 1.68   0.000% *  0.1886% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 2 structures by 0.18 A, kept.
 
    Peak 404 (8.20, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.468, support = 4.25, residual support = 20.4:
        T HN    PHE   60 - HN    PHE   59   2.78 +/- 0.18  99.549% * 97.7864% (0.47 10.00   4.25  20.42) =  99.999%  kept
        T HN    THR  118 - HN    PHE   59   9.65 +/- 1.17   0.087% *  0.6051% (0.29 10.00   0.02  10.14) =   0.001%
          HN    GLN  116 - HN    PHE   59   7.86 +/- 1.05   0.363% *  0.0282% (0.14  1.00   0.02   0.32) =   0.000%
        T HN    GLU-  15 - HN    PHE   59  19.07 +/- 1.34   0.001% *  1.5803% (0.76 10.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 405 (4.37, 7.25, 119.50 ppm):
    7 chemical-shift based assignments, quality = 0.259, support = 4.79, residual support = 57.0:
      O   HA    PHE   59 - HN    PHE   59   2.76 +/- 0.06  74.519% * 86.5232% (0.24  10.0   4.97  58.77) =  95.331%  kept
          HA    ILE   56 - HN    PHE   59   3.63 +/- 0.91  25.447% * 12.4088% (0.69   1.0   0.99  20.70) =   4.669%  kept
          HA    ASP- 113 - HN    PHE   59  10.69 +/- 1.05   0.027% *  0.2514% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    PHE   59  13.52 +/- 1.01   0.006% *  0.2245% (0.62   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   59  19.80 +/- 1.87   0.001% *  0.2778% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    PHE   59  18.56 +/- 1.55   0.001% *  0.0555% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   59  25.48 +/- 1.41   0.000% *  0.2588% (0.71   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 406 (4.27, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 4.48, residual support = 24.3:
      O   HA    ALA   57 - HN    ALA   57   2.76 +/- 0.17  99.922% * 99.2309% (0.76  10.0   4.48  24.32) = 100.000%  kept
          HA1   GLY   51 - HN    ALA   57  10.43 +/- 1.04   0.046% *  0.1273% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   57  11.30 +/- 0.98   0.024% *  0.0683% (0.53   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   57  16.13 +/- 2.07   0.005% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   57  20.44 +/- 2.31   0.001% *  0.1287% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   57  20.37 +/- 2.40   0.001% *  0.0943% (0.73   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   57  23.26 +/- 2.06   0.000% *  0.1298% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   57  22.77 +/- 1.71   0.000% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   57  31.02 +/- 2.76   0.000% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 407 (4.38, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.987, support = 4.65, residual support = 33.1:
      O   HA    ILE   56 - HN    ALA   57   3.07 +/- 0.25  93.749% * 90.7940% (0.99  10.0   4.64  33.13) =  99.362%  kept
          HA    PRO   58 - HN    ALA   57   4.90 +/- 0.26   6.217% *  8.7897% (0.34   1.0   5.63  24.98) =   0.638%  kept
          HA    ASP- 113 - HN    ALA   57  12.40 +/- 0.91   0.025% *  0.0519% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ALA   57  17.08 +/- 1.38   0.004% *  0.0914% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   57  22.10 +/- 2.58   0.001% *  0.0822% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   57  20.85 +/- 2.16   0.001% *  0.0446% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA   57  19.24 +/- 0.95   0.002% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   57  27.39 +/- 1.96   0.000% *  0.0898% (0.98   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   57  25.25 +/- 1.66   0.000% *  0.0283% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 408 (8.20, 7.72, 117.18 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 5.24, residual support = 41.9:
        T HN    PHE   60 - HN    ALA   61   2.70 +/- 0.12  99.964% * 97.7864% (0.61 10.00   5.24  41.95) = 100.000%  kept
        T HN    THR  118 - HN    ALA   61  12.49 +/- 0.85   0.011% *  0.6051% (0.38 10.00   0.02   0.02) =   0.000%
        T HN    GLU-  15 - HN    ALA   61  15.05 +/- 1.47   0.004% *  1.5803% (0.98 10.00   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    ALA   61  11.46 +/- 1.00   0.020% *  0.0282% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 409 (7.27, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.544, support = 4.52, residual support = 35.4:
          QD    PHE   60 - HN    ALA   61   3.61 +/- 0.55  71.803% * 49.1873% (0.57   4.77  41.95) =  84.219%  kept
          HN    PHE   59 - HN    ALA   61   4.38 +/- 0.25  26.255% * 24.2457% (0.41   3.24   0.49) =  15.180%  kept
          QE    PHE   59 - HN    ALA   61   7.51 +/- 0.56   0.952% * 26.1189% (0.80   1.79   0.49) =   0.593%  kept
          HN    LYS+  66 - HN    ALA   61   7.58 +/- 0.31   0.988% *  0.3572% (0.98   0.02   0.02) =   0.008%
          HN    LYS+  81 - HN    ALA   61  21.95 +/- 1.67   0.002% *  0.0909% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 410 (4.40, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 1.04, residual support = 1.04:
          HA    PRO   58 - HN    ALA   61   3.57 +/- 0.45  95.207% * 89.8880% (0.97   1.04   1.04) =  99.959%  kept
          HA    ILE   56 - HN    ALA   61   7.03 +/- 0.74   3.701% *  0.7354% (0.41   0.02   0.43) =   0.032%
          HA    GLN   17 - HN    ALA   61   8.72 +/- 1.66   0.838% *  0.6714% (0.38   0.02   0.02) =   0.007%
          HA    THR   46 - HN    ALA   61  11.43 +/- 1.62   0.153% *  0.8020% (0.45   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    ALA   61  13.77 +/- 0.94   0.040% *  1.6922% (0.95   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ALA   61  14.03 +/- 1.15   0.035% *  0.9412% (0.53   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   61  17.04 +/- 1.31   0.012% *  1.7889% (1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   61  19.98 +/- 1.17   0.004% *  1.6922% (0.95   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   61  18.72 +/- 1.58   0.007% *  0.4461% (0.25   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   61  23.55 +/- 1.26   0.002% *  0.6714% (0.38   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   61  24.16 +/- 1.55   0.001% *  0.6714% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.09 A, kept.
 
    Peak 411 (4.28, 7.72, 117.18 ppm):
    12 chemical-shift based assignments, quality = 0.411, support = 2.0, residual support = 2.0:
          HA    ALA   57 - HN    ALA   61   4.27 +/- 0.80  98.450% * 84.4492% (0.41   2.00   2.00) =  99.968%  kept
          HA    ASP-  44 - HN    ALA   61   9.97 +/- 1.12   1.226% *  1.7838% (0.87   0.02   0.02) =   0.026%
          HB    THR   77 - HN    ALA   61  17.46 +/- 1.93   0.087% *  1.8983% (0.92   0.02   0.02) =   0.002%
          HA1   GLY   51 - HN    ALA   61  15.29 +/- 1.31   0.064% *  1.4932% (0.73   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ALA   61  18.45 +/- 1.43   0.047% *  2.0157% (0.98   0.02   0.02) =   0.001%
          HA    THR   39 - HN    ALA   61  18.79 +/- 1.40   0.030% *  1.7176% (0.84   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    ALA   61  20.26 +/- 2.01   0.018% *  1.8442% (0.90   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ALA   61  16.70 +/- 1.54   0.056% *  0.3173% (0.15   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   61  23.82 +/- 1.60   0.006% *  1.8983% (0.92   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   61  25.89 +/- 1.88   0.003% *  1.7176% (0.84   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   61  22.56 +/- 1.82   0.008% *  0.4578% (0.22   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   61  24.03 +/- 1.22   0.005% *  0.4070% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 2 structures by 0.21 A, kept.
 
    Peak 412 (7.86, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.86, residual support = 42.5:
        T HN    ASP-  62 - HN    LEU   63   2.56 +/- 0.07  99.988% * 99.7221% (0.98 10.00   5.86  42.50) = 100.000%  kept
          HN    ARG+  54 - HN    LEU   63  14.03 +/- 0.88   0.004% *  0.0939% (0.92  1.00   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LEU   63  12.91 +/- 0.95   0.007% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LEU   63  19.50 +/- 0.84   0.001% *  0.0962% (0.95  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LEU   63  20.77 +/- 0.99   0.000% *  0.0495% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 413 (6.47, 7.59, 120.97 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.89, residual support = 54.8:
        T HN    ALA   64 - HN    LEU   63   2.74 +/- 0.16 100.000% *100.0000% (0.97 10.00   6.89  54.82) = 100.000%  kept
    Distance limit 3.35 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 = 4.63, residual support = 28.2:
        T HN    LYS+  65 - HN    ALA   64   2.57 +/- 0.14 100.000% *100.0000% (0.97 10.00   4.63  28.16) = 100.000%  kept
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 415 (7.59, 6.46, 118.53 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 6.89, residual support = 54.8:
          HN    LEU   63 - HN    ALA   64   2.74 +/- 0.16  99.978% * 99.0148% (0.99   6.89  54.82) = 100.000%  kept
          HN    ILE   56 - HN    ALA   64  12.23 +/- 1.01   0.016% *  0.2742% (0.95   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    ALA   64  15.91 +/- 1.87   0.003% *  0.1758% (0.61   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   64  18.45 +/- 1.46   0.001% *  0.1192% (0.41   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   64  19.73 +/- 1.41   0.001% *  0.1758% (0.61   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA   64  21.54 +/- 1.20   0.000% *  0.1758% (0.61   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   64  24.84 +/- 1.33   0.000% *  0.0645% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 416 (6.47, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.667, support = 4.63, residual support = 28.2:
        T HN    ALA   64 - HN    LYS+  65   2.57 +/- 0.14 100.000% *100.0000% (0.67 10.00   4.63  28.16) = 100.000%  kept
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 417 (7.27, 6.90, 114.80 ppm):
    5 chemical-shift based assignments, quality = 0.677, support = 6.16, residual support = 25.3:
          HN    LYS+  66 - HN    LYS+  65   2.55 +/- 0.14  99.278% * 99.3325% (0.68   6.16  25.34) =  99.999%  kept
          QD    PHE   60 - HN    LYS+  65   6.32 +/- 0.77   0.600% *  0.1864% (0.39   0.02   0.02) =   0.001%
          QE    PHE   59 - HN    LYS+  65   9.07 +/- 0.91   0.058% *  0.2636% (0.55   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LYS+  65   8.81 +/- 0.42   0.064% *  0.1354% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    LYS+  65  24.83 +/- 1.16   0.000% *  0.0821% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 418 (4.22, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.667, support = 1.01, residual support = 3.78:
          HA    ASP-  62 - HN    LYS+  65   3.37 +/- 0.19  99.984% * 96.2544% (0.67   1.01   3.78) = 100.000%  kept
          HA    SER  117 - HN    LYS+  65  15.34 +/- 1.15   0.012% *  1.4372% (0.50   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LYS+  65  19.40 +/- 1.60   0.003% *  1.9617% (0.68   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LYS+  65  26.99 +/- 1.18   0.000% *  0.3466% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 6.16, residual support = 25.3:
        T HN    LYS+  65 - HN    LYS+  66   2.55 +/- 0.14 100.000% *100.0000% (0.97 10.00   6.16  25.34) = 100.000%  kept
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 420 (4.08, 7.27, 117.25 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.0, residual support = 113.1:
      O   HA    LYS+  66 - HN    LYS+  66   2.89 +/- 0.04  99.999% * 99.9389% (0.97  10.0   5.00 113.08) = 100.000%  kept
          HA    GLU-  36 - HN    LYS+  66  23.10 +/- 1.04   0.000% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  66  26.71 +/- 1.26   0.000% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 421 (6.95, 7.34, 119.88 ppm):
    2 chemical-shift based assignments, quality = 0.0762, support = 3.0, residual support = 50.5:
          HD22  ASN   28 - HE3   TRP   27   4.83 +/- 0.32  99.985% * 94.9672% (0.08   3.00  50.50) =  99.999%  kept
          HD22  ASN   28 - HN    LEU   67  21.43 +/- 0.84   0.015% *  5.0328% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.42 A violated in 1 structures by 0.42 A, kept.
 
    Peak 422 (4.99, 7.34, 119.88 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.73, residual support = 56.9:
      O   HA    LEU   67 - HN    LEU   67   2.69 +/- 0.30  99.930% * 99.9623% (1.00  10.0   5.73  56.91) = 100.000%  kept
          HA    ASP-  76 - HE3   TRP   27  10.14 +/- 1.85   0.068% *  0.0028% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HN    LEU   67  19.29 +/- 0.83   0.001% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HE3   TRP   27  17.71 +/- 1.46   0.002% *  0.0126% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 423 (4.08, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.45, residual support = 10.1:
      O   HA    LYS+  66 - HN    LEU   67   3.51 +/- 0.10  99.872% * 99.9186% (0.97  10.0   4.45  10.10) = 100.000%  kept
          HA    LYS+  81 - HE3   TRP   27  12.08 +/- 2.71   0.114% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   67  20.98 +/- 1.00   0.002% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HE3   TRP   27  17.00 +/- 1.58   0.009% *  0.0044% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LYS+  66 - HE3   TRP   27  21.03 +/- 1.35   0.002% *  0.0126% (0.12   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU   67  26.42 +/- 0.96   0.001% *  0.0258% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 424 (7.97, 8.82, 114.58 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 5.26, residual support = 26.1:
        T HN    VAL   70 - HN    ASN   69   2.73 +/- 0.68  99.993% * 99.9644% (0.87 10.00   5.26  26.09) = 100.000%  kept
          HN    LYS+  33 - HN    ASN   69  15.70 +/- 1.27   0.007% *  0.0356% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.07 A, kept.
 
    Peak 425 (4.69, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.37, residual support = 59.6:
      O   HA    ASN   69 - HN    ASN   69   2.73 +/- 0.25  99.994% * 99.8231% (0.76  10.0   5.37  59.57) = 100.000%  kept
          HA    VAL   43 - HN    ASN   69  14.47 +/- 1.02   0.005% *  0.0636% (0.49   1.0   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASN   69  21.12 +/- 0.81   0.001% *  0.1133% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 426 (6.65, 7.68, 113.30 ppm):
    3 chemical-shift based assignments, quality = 0.518, support = 3.23, residual support = 59.6:
      O T HD22  ASN   69 - HD21  ASN   69   1.73 +/- 0.00  99.999% * 99.9103% (0.52  10.0 10.00   3.23  59.57) = 100.000%  kept
          HE22  GLN   30 - HD21  ASN   69  12.89 +/- 1.46   0.001% *  0.0656% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HN    TRP   49 - HD21  ASN   69  28.30 +/- 2.10   0.000% *  0.0241% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (7.69, 6.66, 113.30 ppm):
    4 chemical-shift based assignments, quality = 0.518, support = 3.23, residual support = 59.6:
      O   HD21  ASN   69 - HD22  ASN   69   1.73 +/- 0.00  99.999% * 99.7566% (0.52  10.0   3.23  59.57) = 100.000%  kept
          HN    GLN   17 - HD22  ASN   69  11.87 +/- 1.42   0.001% *  0.1078% (0.56   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HD22  ASN   69  26.14 +/- 2.06   0.000% *  0.1022% (0.53   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HD22  ASN   69  23.46 +/- 2.70   0.000% *  0.0334% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 428 (6.97, 7.98, 124.64 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 1.95, residual support = 40.1:
          QE    PHE   72 - HN    VAL   70   3.66 +/- 0.70  99.992% * 97.8069% (0.45   1.95  40.12) = 100.000%  kept
          HD22  ASN   28 - HN    VAL   70  18.63 +/- 0.96   0.008% *  2.1931% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.02 A, kept.
 
    Peak 429 (8.83, 7.98, 124.64 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.26, residual support = 26.1:
        T HN    ASN   69 - HN    VAL   70   2.73 +/- 0.68  99.983% * 99.9392% (0.87 10.00   5.26  26.09) = 100.000%  kept
          HN    GLY  101 - HN    VAL   70  14.00 +/- 1.19   0.013% *  0.0287% (0.25  1.00   0.02   0.02) =   0.000%
          HN    ASN   28 - HN    VAL   70  17.47 +/- 0.92   0.004% *  0.0320% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.08 A, kept.
 
    Peak 430 (4.73, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 1.07, residual support = 1.07:
          HA    PRO   68 - HN    VAL   70   4.19 +/- 0.58 100.000% *100.0000% (0.99   1.07   1.07) = 100.000%  kept
    Distance limit 4.24 A violated in 1 structures by 0.20 A, kept.
 
    Peak 431 (4.00, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.835, support = 3.89, residual support = 81.3:
      O   HA    VAL   70 - HN    VAL   70   2.92 +/- 0.02  99.675% * 99.2525% (0.84  10.0   3.89  81.32) = 100.000%  kept
          HA    VAL   18 - HN    VAL   70   8.74 +/- 0.84   0.170% *  0.1147% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    VAL   70   9.71 +/- 1.55   0.133% *  0.0235% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   70  13.82 +/- 1.50   0.011% *  0.1186% (1.00   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   70  16.99 +/- 1.33   0.003% *  0.0993% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   70  17.63 +/- 1.14   0.002% *  0.1165% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    VAL   70  16.19 +/- 1.17   0.004% *  0.0367% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   70  25.15 +/- 1.36   0.000% *  0.1097% (0.92   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    VAL   70  24.35 +/- 1.76   0.000% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   70  24.51 +/- 1.98   0.000% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    VAL   70  27.19 +/- 1.27   0.000% *  0.0405% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (4.65, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.65, residual support = 138.9:
      O   HA    LEU   71 - HN    LEU   71   2.89 +/- 0.01  99.852% * 99.9402% (1.00  10.0   6.65 138.88) = 100.000%  kept
          HA    VAL   43 - HN    LEU   71   8.88 +/- 0.60   0.132% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LEU   71  12.34 +/- 0.40   0.017% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 433 (4.01, 8.15, 128.27 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.36, residual support = 33.1:
      O   HA    VAL   70 - HN    LEU   71   2.27 +/- 0.02  99.861% * 99.5202% (1.00  10.0   5.36  33.06) = 100.000%  kept
          HA    VAL   18 - HN    LEU   71   8.54 +/- 0.66   0.042% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   71   8.28 +/- 1.16   0.059% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   71  11.03 +/- 1.27   0.010% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LEU   71   9.96 +/- 1.56   0.026% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   71  14.16 +/- 0.97   0.002% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   71  17.84 +/- 1.39   0.000% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LEU   71  21.70 +/- 1.67   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   71  22.76 +/- 1.67   0.000% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 434 (4.88, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 2.29, residual support = 4.38:
          HA    VAL   41 - HN    LEU   71   4.30 +/- 0.76  99.079% * 98.7883% (1.00   2.29   4.38) =  99.993%  kept
          HA    HIS  122 - HN    LEU   71  11.85 +/- 3.34   0.827% *  0.7222% (0.84   0.02   0.02) =   0.006%
          HA    PHE   45 - HN    LEU   71  14.89 +/- 0.61   0.094% *  0.4895% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 3 structures by 0.44 A, kept.
 
    Peak 435 (8.93, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.606, support = 3.05, residual support = 5.3:
          HN    VAL   42 - HN    LEU   71   4.35 +/- 0.61  90.185% * 72.0644% (0.61   3.10   5.44) =  97.257%  kept
          HN    LEU   73 - HN    LEU   71   6.92 +/- 0.19   6.656% * 27.1840% (0.61   1.17   0.02) =   2.708%  kept
          HN    ILE   19 - HN    LEU   71   8.23 +/- 0.60   3.159% *  0.7516% (0.98   0.02   0.02) =   0.036%
    Distance limit 4.50 A violated in 0 structures by 0.12 A, kept.
 
    Peak 436 (6.67, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 5.56, residual support = 90.9:
          QD    PHE   72 - HN    PHE   72   2.87 +/- 0.28  99.889% * 98.9102% (0.45   5.56  90.94) =  99.999%  kept
          HD22  ASN   69 - HN    PHE   72  10.14 +/- 0.95   0.076% *  0.5763% (0.73   0.02   0.02) =   0.000%
          QE    PHE   45 - HN    PHE   72  11.52 +/- 0.88   0.035% *  0.5134% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 437 (5.26, 9.36, 127.59 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 5.13, residual support = 90.9:
      O   HA    PHE   72 - HN    PHE   72   2.93 +/- 0.02 100.000% *100.0000% (0.53  10.0   5.13  90.94) = 100.000%  kept
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 438 (4.65, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.43, residual support = 20.1:
      O   HA    LEU   71 - HN    PHE   72   2.22 +/- 0.04  99.878% * 99.9402% (1.00  10.0   5.43  20.12) = 100.000%  kept
          HA    VAL   43 - HN    PHE   72   7.51 +/- 0.58   0.083% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    PHE   72   8.27 +/- 0.45   0.039% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 439 (4.83, 9.36, 127.59 ppm):
    5 chemical-shift based assignments, quality = 0.568, support = 0.02, residual support = 0.02:
          HA    THR   23 - HN    PHE   72  13.24 +/- 0.98  32.539% * 29.8815% (0.73   0.02   0.02) =  60.459%  kept
          HA    PHE   45 - HN    PHE   72  12.55 +/- 0.65  43.937% *  7.2068% (0.18   0.02   0.02) =  19.689%  kept
          HB    THR   23 - HN    PHE   72  15.07 +/- 0.73  14.809% *  9.1616% (0.22   0.02   0.02) =   8.436%  kept
          HA    ASP-  78 - HN    PHE   72  20.43 +/- 0.76   2.385% * 39.7133% (0.97   0.02   0.02) =   5.890%  kept
          HA    LEU   80 - HN    PHE   72  17.59 +/- 1.18   6.331% * 14.0368% (0.34   0.02   0.02) =   5.526%  kept
    Distance limit 4.38 A violated in 20 structures by 6.51 A, eliminated.
    Peak unassigned.
 
    Peak 440 (7.61, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.495, support = 1.14, residual support = 1.63:
          QE    PHE   60 - HN    LEU   73   5.80 +/- 1.67  86.911% * 63.1006% (0.49   1.16   1.67) =  97.393%  kept
          HZ2   TRP   87 - HN    LEU   73  11.19 +/- 1.60   3.990% * 29.4077% (0.99   0.27   0.02) =   2.084%  kept
          HN    LEU   63 - HN    LEU   73  10.46 +/- 0.98   4.228% *  4.6127% (0.41   0.10   0.02) =   0.346%
          HD21  ASN   28 - HN    LEU   73  11.12 +/- 1.05   4.405% *  2.1896% (0.98   0.02   1.85) =   0.171%
          HN    ILE   56 - HN    LEU   73  15.33 +/- 1.22   0.466% *  0.6895% (0.31   0.02   0.02) =   0.006%
    Distance limit 4.50 A violated in 13 structures by 1.49 A, kept.
 
    Peak 441 (5.57, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 6.5, residual support = 172.7:
      O   HA    LEU   73 - HN    LEU   73   2.93 +/- 0.01 100.000% *100.0000% (0.95  10.0   6.50 172.74) = 100.000%  kept
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 442 (5.26, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 5.16, residual support = 40.6:
      O   HA    PHE   72 - HN    LEU   73   2.21 +/- 0.03 100.000% *100.0000% (0.53  10.0   5.16  40.59) = 100.000%  kept
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 443 (4.66, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.534, support = 3.74, residual support = 7.99:
          HA    VAL   43 - HN    LEU   73   3.62 +/- 0.51  91.842% * 69.5204% (0.53   3.81   8.20) =  97.421%  kept
          HA    LEU   71 - HN    LEU   73   5.95 +/- 0.17   5.616% * 30.0555% (0.84   1.04   0.02) =   2.576%  kept
          HA    ALA   20 - HN    LEU   73   7.01 +/- 0.33   2.333% *  0.0939% (0.14   0.02   0.02) =   0.003%
          HA    ASN   69 - HN    LEU   73  11.86 +/- 0.29   0.093% *  0.1929% (0.28   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    LEU   73  11.39 +/- 0.48   0.116% *  0.1373% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.02 A, kept.
 
    Peak 444 (7.90, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.124, support = 3.87, residual support = 9.12:
        T HN    CYS   21 - HN    LYS+  74   2.99 +/- 0.73  99.957% * 95.8247% (0.12 10.00   3.87   9.12) = 100.000%  kept
        T HN    ILE  119 - HN    LYS+  74  18.72 +/- 1.11   0.004% *  3.0978% (0.40 10.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    LYS+  74  15.10 +/- 1.88   0.025% *  0.4381% (0.57  1.00   0.02   0.02) =   0.000%
          HN    SER   37 - HN    LYS+  74  16.74 +/- 0.63   0.007% *  0.5176% (0.67  1.00   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LYS+  74  17.26 +/- 0.66   0.006% *  0.1218% (0.16  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.06 A, kept.
 
    Peak 445 (8.94, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.574, support = 4.32, residual support = 19.8:
        T HN    ILE   19 - HN    LYS+  74   4.77 +/- 0.63  40.797% * 72.8012% (0.54 10.00   3.25   8.02) =  65.472%  kept
          HN    LEU   73 - HN    LYS+  74   4.43 +/- 0.07  57.807% * 27.0945% (0.64  1.00   6.34  42.16) =  34.526%  kept
          HN    VAL   42 - HN    LYS+  74   8.38 +/- 0.54   1.380% *  0.0854% (0.64  1.00   0.02   0.02) =   0.003%
          HN    LYS+ 106 - HN    LYS+  74  17.50 +/- 0.59   0.016% *  0.0189% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 5.74, residual support = 42.2:
      O   HA    LEU   73 - HN    LYS+  74   2.31 +/- 0.11 100.000% *100.0000% (0.68  10.0   5.74  42.16) = 100.000%  kept
    Distance limit 2.98 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 = 6.13, residual support = 187.5:
      O   HA    LYS+  74 - HN    LYS+  74   2.93 +/- 0.01  99.923% * 99.4309% (0.20  10.0   6.13 187.48) = 100.000%  kept
          HA    VAL   41 - HN    LYS+  74   9.96 +/- 0.61   0.070% *  0.0708% (0.14   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LYS+  74  15.62 +/- 0.85   0.005% *  0.3102% (0.61   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    LYS+  74  18.79 +/- 2.16   0.002% *  0.1882% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 448 (4.63, 8.48, 121.30 ppm):
    2 chemical-shift based assignments, quality = 0.684, support = 3.72, residual support = 8.16:
          HA    ALA   20 - HN    LYS+  74   3.14 +/- 0.44  99.761% * 99.7079% (0.68   3.72   8.16) =  99.999%  kept
          HA    LEU   71 - HN    LYS+  74   8.96 +/- 0.27   0.239% *  0.2921% (0.37   0.02   0.02) =   0.001%
    Distance limit 3.69 A violated in 0 structures by 0.01 A, kept.
 
    Peak 449 (4.91, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 6.05, residual support = 32.0:
      O   HA    LYS+  74 - HN    VAL   75   2.23 +/- 0.05  99.994% * 99.7992% (0.61  10.0   6.05  32.03) = 100.000%  kept
          HA    MET   92 - HN    VAL   75  11.50 +/- 0.68   0.006% *  0.1642% (1.00   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    VAL   75  19.27 +/- 1.91   0.000% *  0.0366% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 450 (4.99, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 3.75, residual support = 36.3:
      O   HA    ASP-  76 - HN    ASP-  76   2.88 +/- 0.03  99.999% * 99.5538% (0.22  10.0   3.75  36.32) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  76  20.24 +/- 0.93   0.001% *  0.4462% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 451 (4.50, 9.14, 128.89 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 3.97, residual support = 15.3:
      O   HA    VAL  107 - HN    VAL  108   2.20 +/- 0.01  99.909% * 99.5919% (0.65  10.0   3.97  15.34) = 100.000%  kept
          HA    LYS+ 111 - HN    VAL  108   7.85 +/- 1.18   0.085% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  108  12.62 +/- 1.01   0.003% *  0.1233% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  108  13.59 +/- 2.41   0.003% *  0.1058% (0.69   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  108  20.61 +/- 1.05   0.000% *  0.1486% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 452 (8.52, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.24, residual support = 28.0:
        T HN    ASP-  78 - HN    THR   77   2.74 +/- 0.11  99.047% * 99.9203% (0.98 10.00   5.24  27.98) =  99.999%  kept
          HN    VAL   75 - HN    THR   77   5.98 +/- 0.34   0.949% *  0.0618% (0.61  1.00   0.02   0.34) =   0.001%
          HN    LYS+ 112 - HN    THR   77  19.07 +/- 3.09   0.004% *  0.0179% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 5.24, residual support = 28.0:
        T HN    THR   77 - HN    ASP-  78   2.74 +/- 0.11 100.000% *100.0000% (1.00 10.00   5.24  27.98) = 100.000%  kept
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 454 (8.02, 8.52, 119.25 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.75, residual support = 17.4:
        T HN    GLU-  79 - HN    ASP-  78   2.50 +/- 0.12  99.969% * 99.9158% (0.99 10.00   3.75  17.42) = 100.000%  kept
          HN    THR   94 - HN    ASP-  78  11.01 +/- 1.73   0.031% *  0.0842% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 455 (8.53, 8.02, 121.50 ppm):
    2 chemical-shift based assignments, quality = 0.563, support = 3.75, residual support = 17.4:
        T HN    ASP-  78 - HN    GLU-  79   2.50 +/- 0.12  99.915% * 99.9001% (0.56 10.00   3.75  17.42) = 100.000%  kept
          HN    VAL   75 - HN    GLU-  79   8.16 +/- 0.27   0.085% *  0.0999% (0.56  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 458 (4.27, 8.02, 121.50 ppm):
    9 chemical-shift based assignments, quality = 0.604, support = 4.24, residual support = 55.3:
      O   HA    GLU-  79 - HN    GLU-  79   2.80 +/- 0.14  98.558% * 99.4285% (0.60  10.0   4.24  55.33) =  99.999%  kept
          HB    THR   77 - HN    GLU-  79   5.79 +/- 0.30   1.399% *  0.0608% (0.37   1.0   0.02   0.02) =   0.001%
          HA    SER   85 - HN    GLU-  79  11.68 +/- 0.54   0.021% *  0.0608% (0.37   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLU-  79  12.51 +/- 1.03   0.014% *  0.0528% (0.32   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    GLU-  79  16.62 +/- 2.86   0.004% *  0.0983% (0.60   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    GLU-  79  16.40 +/- 2.36   0.003% *  0.0767% (0.47   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLU-  79  22.41 +/- 2.27   0.000% *  0.0728% (0.44   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLU-  79  25.09 +/- 0.65   0.000% *  0.1003% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLU-  79  28.53 +/- 4.79   0.000% *  0.0488% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 459 (4.86, 8.02, 121.50 ppm):
    4 chemical-shift based assignments, quality = 0.0825, support = 3.81, residual support = 17.4:
      O   HA    ASP-  78 - HN    GLU-  79   3.60 +/- 0.05  99.280% * 98.7485% (0.08  10.0   3.81  17.42) =  99.995%  kept
          HA    PHE   45 - HN    GLU-  79   8.84 +/- 1.56   0.714% *  0.7232% (0.60   1.0   0.02   0.02) =   0.005%
          HA    VAL   41 - HN    GLU-  79  19.03 +/- 0.74   0.005% *  0.3839% (0.32   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    GLU-  79  26.81 +/- 1.68   0.001% *  0.1444% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (5.00, 9.27, 119.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 11.2:
      O   HA    ASP-  76 - HN    THR   77   2.27 +/- 0.03 100.000% * 99.8354% (0.53  10.0   4.53  11.15) = 100.000%  kept
          HA    LEU   67 - HN    THR   77  21.84 +/- 1.17   0.000% *  0.1646% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 461 (4.58, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.564, support = 1.22, residual support = 2.43:
          HA    ALA   47 - HN    THR   77   5.43 +/- 2.82  84.306% * 88.9676% (0.57   1.22   2.44) =  99.576%  kept
          HA    CYS   50 - HN    THR   77  10.04 +/- 2.31   6.618% *  2.5213% (0.98   0.02   0.02) =   0.222%
          HA    CYS   21 - HN    THR   77  12.93 +/- 1.13   4.146% *  1.7669% (0.69   0.02   0.02) =   0.097%
          HA    VAL  108 - HN    THR   77  14.05 +/- 2.29   2.895% *  1.1532% (0.45   0.02   0.02) =   0.044%
          HA    TRP   49 - HN    THR   77  10.78 +/- 2.05   1.112% *  2.2312% (0.87   0.02   0.02) =   0.033%
          HA1   GLY  109 - HN    THR   77  16.56 +/- 2.56   0.802% *  2.4824% (0.97   0.02   0.02) =   0.026%
          HA    LYS+ 102 - HN    THR   77  22.82 +/- 2.53   0.121% *  0.8774% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.38 A violated in 5 structures by 1.36 A, kept.
 
    Peak 462 (4.45, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.257, support = 1.2, residual support = 11.7:
          HA    THR   46 - HN    THR   77   6.07 +/- 1.54  68.250% * 80.8843% (0.25   1.22  11.93) =  97.962%  kept
          HA    GLN   90 - HN    THR   77   7.63 +/- 1.51  28.705% *  3.6422% (0.69   0.02   0.02) =   1.855%  kept
          HA    ALA  110 - HN    THR   77  15.17 +/- 3.31   1.758% *  3.0019% (0.57   0.02   0.02) =   0.094%
          HA    PHE   55 - HN    THR   77  16.48 +/- 2.57   0.548% *  4.5993% (0.87   0.02   0.02) =   0.045%
          HA    VAL   42 - HN    THR   77  14.95 +/- 0.78   0.442% *  4.5993% (0.87   0.02   0.02) =   0.036%
          HA    GLN   17 - HN    THR   77  17.57 +/- 1.35   0.285% *  1.6365% (0.31   0.02   0.02) =   0.008%
          HA    SER   37 - HN    THR   77  27.23 +/- 0.84   0.012% *  1.6365% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 13 structures by 1.28 A, kept.
 
    Peak 463 (4.29, 9.27, 119.07 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.01, residual support = 37.7:
      O   HB    THR   77 - HN    THR   77   3.47 +/- 0.03  97.910% * 99.1602% (0.76  10.0   4.01  37.73) =  99.999%  kept
          HA    GLU-  79 - HN    THR   77   6.97 +/- 0.27   1.556% *  0.0361% (0.28   1.0   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    THR   77   9.32 +/- 0.71   0.307% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   77  11.18 +/- 1.43   0.106% *  0.0992% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    THR   77  12.94 +/- 1.43   0.042% *  0.1039% (0.80   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   77  13.81 +/- 2.46   0.070% *  0.0200% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    THR   77  19.78 +/- 2.18   0.004% *  0.0839% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    THR   77  22.70 +/- 1.65   0.001% *  0.0942% (0.73   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   77  29.27 +/- 4.33   0.001% *  0.1126% (0.87   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    THR   77  22.45 +/- 2.26   0.002% *  0.0443% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    THR   77  26.83 +/- 3.38   0.001% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    THR   77  23.60 +/- 0.75   0.001% *  0.0289% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 465 (8.07, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 5.09, residual support = 33.4:
        T HN    LEU   80 - HN    LYS+  81   3.77 +/- 0.23  94.583% * 98.5772% (0.65 10.00   5.09  33.41) =  99.996%  kept
          HN    SER   85 - HN    LYS+  81   6.21 +/- 0.33   5.388% *  0.0683% (0.45  1.00   0.02   0.02) =   0.004%
        T HN    ALA   34 - HN    LYS+  81  21.07 +/- 1.99   0.003% *  1.1646% (0.76 10.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    LYS+  81  18.62 +/- 2.72   0.018% *  0.0626% (0.41  1.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    LYS+  81  18.66 +/- 2.45   0.008% *  0.1273% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.06 A, kept.
 
    Peak 466 (8.64, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.51, residual support = 19.2:
        T HN    SER   82 - HN    LYS+  81   2.69 +/- 0.14  99.969% * 99.8569% (1.00 10.00   4.51  19.20) = 100.000%  kept
          HN    GLN   90 - HN    LYS+  81  10.83 +/- 1.14   0.030% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    LYS+  81  25.07 +/- 0.74   0.000% *  0.0525% (0.53  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    LYS+  81  23.78 +/- 3.62   0.000% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    LYS+  81  28.75 +/- 1.68   0.000% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 5.36, residual support = 33.4:
      O   HA    LEU   80 - HN    LYS+  81   2.42 +/- 0.14  98.793% * 99.6041% (0.69  10.0   5.36  33.41) =  99.998%  kept
          HA    ASP-  78 - HN    LYS+  81   6.19 +/- 1.23   0.745% *  0.1372% (0.95   1.0   0.02   0.42) =   0.001%
          HA    THR   23 - HN    LYS+  81   7.77 +/- 1.70   0.181% *  0.1421% (0.98   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    LYS+  81   7.46 +/- 1.71   0.282% *  0.0763% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LYS+  81  25.09 +/- 2.42   0.000% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 468 (4.10, 7.29, 121.74 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.3, residual support = 108.8:
      O   HA    LYS+  81 - HN    LYS+  81   2.77 +/- 0.06  99.991% * 99.7055% (0.99  10.0   5.30 108.77) = 100.000%  kept
          HA    ASN   28 - HN    LYS+  81  14.47 +/- 2.60   0.008% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LYS+  81  20.44 +/- 3.01   0.001% *  0.0730% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LYS+  81  27.10 +/- 2.26   0.000% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  81  24.61 +/- 1.41   0.000% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  81  34.65 +/- 2.61   0.000% *  0.0840% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.17, 8.64, 114.33 ppm):
    6 chemical-shift based assignments, quality = 0.249, support = 4.2, residual support = 34.8:
      O   HA    SER   82 - HN    SER   82   2.78 +/- 0.04  99.922% * 98.7108% (0.25  10.0   4.20  34.82) = 100.000%  kept
          HA    GLU-  25 - HN    SER   82  10.04 +/- 1.98   0.065% *  0.3170% (0.80   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    SER   82  13.28 +/- 1.38   0.010% *  0.1486% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    SER   82  18.32 +/- 1.04   0.001% *  0.3820% (0.97   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    SER   82  19.88 +/- 2.43   0.001% *  0.3880% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    SER   82  27.86 +/- 1.69   0.000% *  0.0536% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 0.197, support = 0.0199, residual support = 0.0199:
          HB    THR   23 - HN    SER   82   7.78 +/- 1.61  99.845% * 32.4951% (0.20   0.02   0.02) =  99.678%  kept
          HA    ASP- 105 - HN    SER   82  24.29 +/- 2.55   0.155% * 67.5049% (0.41   0.02   0.02) =   0.322%
    Distance limit 4.26 A violated in 19 structures by 3.51 A, eliminated.
    Peak unassigned.
 
    Peak 471 (6.59, 8.64, 114.33 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 19.8:
        T HN    VAL   83 - HN    SER   82   2.69 +/- 0.13  99.996% * 99.9274% (1.00 10.00   5.62  19.85) = 100.000%  kept
          HN    CYS   50 - HN    SER   82  17.23 +/- 2.79   0.004% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 472 (7.29, 8.64, 114.33 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.51, residual support = 19.2:
          HN    LYS+  81 - HN    SER   82   2.69 +/- 0.14  99.935% * 99.3351% (1.00   4.51  19.20) = 100.000%  kept
          HE3   TRP   27 - HN    SER   82  10.59 +/- 3.06   0.063% *  0.0982% (0.22   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    SER   82  17.56 +/- 1.80   0.002% *  0.3533% (0.80   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    SER   82  23.07 +/- 2.05   0.000% *  0.0773% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    SER   82  26.90 +/- 1.00   0.000% *  0.1362% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 473 (7.58, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.748, support = 7.6, residual support = 43.2:
        T HN    ALA   84 - HN    VAL   83   2.62 +/- 0.08  99.998% * 99.6823% (0.75 10.00   7.60  43.16) = 100.000%  kept
          HE21  GLN   32 - HN    VAL   83  19.70 +/- 2.37   0.001% *  0.0840% (0.63  1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    VAL   83  20.68 +/- 2.09   0.000% *  0.0730% (0.55  1.00   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    VAL   83  22.27 +/- 2.56   0.000% *  0.0997% (0.75  1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    VAL   83  22.39 +/- 1.47   0.000% *  0.0610% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 474 (8.64, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.755, support = 5.62, residual support = 19.8:
        T HN    SER   82 - HN    VAL   83   2.69 +/- 0.13  99.947% * 99.8569% (0.75 10.00   5.62  19.85) = 100.000%  kept
          HN    GLN   90 - HN    VAL   83   9.89 +/- 0.93   0.052% *  0.0375% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    VAL   83  19.77 +/- 3.70   0.001% *  0.0222% (0.17  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    VAL   83  23.77 +/- 1.04   0.000% *  0.0525% (0.40  1.00   0.02   0.02) =   0.000%
          HN    SER  117 - HN    VAL   83  26.56 +/- 1.72   0.000% *  0.0308% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 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   2.73 +/- 0.11  99.979% * 99.8725% (0.99 10.00   3.77  20.74) = 100.000%  kept
          HN    THR   94 - HN    ALA   84  11.98 +/- 1.53   0.019% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ALA   84  17.72 +/- 1.82   0.002% *  0.0874% (0.87  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ALA   84  19.88 +/- 1.49   0.001% *  0.0176% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 476 (6.59, 7.58, 119.96 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 7.6, residual support = 43.2:
        T HN    VAL   83 - HN    ALA   84   2.62 +/- 0.08  99.995% * 99.9274% (1.00 10.00   7.60  43.16) = 100.000%  kept
          HN    CYS   50 - HN    ALA   84  14.82 +/- 2.28   0.005% *  0.0726% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 477 (4.11, 7.58, 119.96 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 2.26, residual support = 5.56:
          HA    LYS+  81 - HN    ALA   84   3.30 +/- 0.31  99.949% * 95.7048% (0.80   2.26   5.56) = 100.000%  kept
          HA    ASN   28 - HN    ALA   84  13.39 +/- 1.82   0.041% *  0.5139% (0.49   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   84  19.22 +/- 2.72   0.003% *  1.0188% (0.97   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   84  21.55 +/- 1.25   0.001% *  0.4733% (0.45   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA   84  21.66 +/- 1.36   0.002% *  0.3258% (0.31   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   84  21.18 +/- 3.32   0.003% *  0.1849% (0.18   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA   84  25.88 +/- 1.80   0.001% *  0.7252% (0.69   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   84  32.19 +/- 2.58   0.000% *  1.0533% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.01 A, kept.
 
    Peak 478 (4.16, 6.59, 123.60 ppm):
    6 chemical-shift based assignments, quality = 0.409, support = 0.02, residual support = 0.02:
          HA    GLU-  25 - HN    VAL   83   9.54 +/- 1.46  77.057% * 13.1508% (0.34   0.02   0.02) =  67.788%  kept
          HA    THR   26 - HN    VAL   83  12.43 +/- 1.07  15.411% * 21.2999% (0.55   0.02   0.02) =  21.959%  kept
          HA    CYS   53 - HN    VAL   83  18.34 +/- 2.29   2.884% * 27.0775% (0.70   0.02   0.02) =   5.224%  kept
          HA    ILE   19 - HN    VAL   83  16.99 +/- 1.04   3.133% * 20.1488% (0.52   0.02   0.02) =   4.223%  kept
          HA1   GLY  101 - HN    VAL   83  20.17 +/- 3.69   1.252% *  7.3142% (0.19   0.02   0.02) =   0.612%  kept
          HA    GLU- 114 - HN    VAL   83  25.61 +/- 1.70   0.263% * 11.0089% (0.28   0.02   0.02) =   0.194%
    Distance limit 4.25 A violated in 20 structures by 4.83 A, eliminated.
    Peak unassigned.
 
    Peak 479 (8.06, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.575, support = 2.59, residual support = 5.16:
        T HN    SER   85 - HN    VAL   83   4.34 +/- 0.11  73.218% * 97.9507% (0.58 10.00   2.60   5.19) =  99.393%  kept
          HN    LEU   80 - HN    VAL   83   5.25 +/- 0.62  26.701% *  1.6395% (0.26  1.00   0.75   0.02) =   0.607%  kept
          HN    GLN   32 - HN    VAL   83  15.71 +/- 2.21   0.048% *  0.1279% (0.75  1.00   0.02   0.02) =   0.000%
        T HN    CYS   53 - HN    VAL   83  18.46 +/- 2.35   0.016% *  0.2245% (0.13 10.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    VAL   83  18.13 +/- 1.87   0.018% *  0.0575% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 480 (8.63, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.33, residual support = 11.0:
          HN    SER   82 - HN    ALA   84   3.84 +/- 0.15  97.194% * 99.2474% (0.87   4.33  11.02) =  99.989%  kept
          HN    GLN   90 - HN    ALA   84   7.45 +/- 1.01   2.797% *  0.3633% (0.69   0.02   0.02) =   0.011%
          HN    ILE  103 - HN    ALA   84  20.10 +/- 3.44   0.007% *  0.2574% (0.49   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    ALA   84  24.63 +/- 0.96   0.001% *  0.1319% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 481 (8.32, 8.05, 111.48 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 3.33, residual support = 13.4:
          HN    ASP-  86 - HN    SER   85   2.41 +/- 0.13  99.998% * 97.4563% (0.80   3.33  13.42) = 100.000%  kept
          HN    GLN   30 - HN    SER   85  17.12 +/- 1.38   0.001% *  0.6335% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    SER   85  16.23 +/- 1.27   0.001% *  0.2741% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    SER   85  22.34 +/- 2.74   0.000% *  0.4724% (0.65   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    SER   85  24.24 +/- 3.58   0.000% *  0.5303% (0.73   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    SER   85  29.08 +/- 2.21   0.000% *  0.6335% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 482 (7.59, 8.05, 111.48 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 3.77, residual support = 20.7:
          HN    ALA   84 - HN    SER   85   2.73 +/- 0.11  99.903% * 97.8189% (0.90   3.77  20.74) = 100.000%  kept
          HZ2   TRP   87 - HN    SER   85   9.15 +/- 0.46   0.077% *  0.1013% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    SER   85  12.39 +/- 1.94   0.019% *  0.1785% (0.31   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    SER   85  21.03 +/- 1.87   0.001% *  0.5670% (0.98   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    SER   85  21.74 +/- 2.32   0.000% *  0.5188% (0.90   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    SER   85  24.27 +/- 1.27   0.000% *  0.5340% (0.92   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    SER   85  22.97 +/- 2.29   0.000% *  0.2816% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 5.19:
        T HN    VAL   83 - HN    SER   85   4.34 +/- 0.11  99.940% * 99.9526% (0.87 10.00   2.60   5.19) = 100.000%  kept
          HN    CYS   50 - HN    SER   85  16.12 +/- 2.30   0.060% *  0.0474% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.22 A, kept.
 
    Peak 484 (4.29, 8.05, 111.48 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 3.65, residual support = 18.1:
      O   HA    SER   85 - HN    SER   85   2.83 +/- 0.04  95.692% * 99.3023% (0.99  10.0   3.65  18.15) =  99.998%  kept
          HA    ASP-  86 - HN    SER   85   4.89 +/- 0.13   3.706% *  0.0449% (0.45   1.0   0.02  13.42) =   0.002%
          HB    THR   77 - HN    SER   85   7.77 +/- 2.18   0.535% *  0.0993% (0.99   1.0   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    SER   85   9.82 +/- 0.50   0.057% *  0.0608% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    SER   85  14.29 +/- 0.96   0.006% *  0.1002% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    SER   85  20.04 +/- 3.21   0.001% *  0.0948% (0.95   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    SER   85  20.08 +/- 2.50   0.001% *  0.0412% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    SER   85  21.07 +/- 2.30   0.001% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    SER   85  25.93 +/- 1.51   0.000% *  0.0527% (0.53   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    SER   85  33.66 +/- 5.05   0.000% *  0.1000% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    SER   85  31.98 +/- 4.18   0.000% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    SER   85  28.70 +/- 1.80   0.000% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 485 (4.15, 8.05, 111.48 ppm):
    9 chemical-shift based assignments, quality = 0.554, support = 0.02, residual support = 0.02:
          HA    THR   26 - HN    SER   85  16.46 +/- 0.80  11.614% * 23.1039% (0.98   0.02   0.02) =  33.009%  kept
          HA    GLU-  25 - HN    SER   85  13.25 +/- 1.01  43.235% *  4.1279% (0.18   0.02   0.02) =  21.955%  kept
          HA    ASN   28 - HN    SER   85  14.67 +/- 1.89  26.061% *  5.2476% (0.22   0.02   0.02) =  16.824%  kept
          HA    CYS   53 - HN    SER   85  18.47 +/- 2.09   8.681% * 14.2963% (0.61   0.02   0.02) =  15.268%  kept
          HA1   GLY  101 - HN    SER   85  21.90 +/- 3.55   2.946% * 13.3446% (0.57   0.02   0.02) =   4.836%  kept
          HA    ILE   19 - HN    SER   85  20.58 +/- 0.97   3.288% *  8.0401% (0.34   0.02   0.02) =   3.252%  kept
          HA    GLU- 114 - HN    SER   85  25.46 +/- 1.47   0.941% * 17.1158% (0.73   0.02   0.02) =   1.981%  kept
          HA    ALA   34 - HN    SER   85  23.27 +/- 1.60   1.469% *  8.8463% (0.38   0.02   0.02) =   1.599%  kept
          HA    LEU  115 - HN    SER   85  22.91 +/- 1.03   1.765% *  5.8774% (0.25   0.02   0.02) =   1.276%  kept
    Distance limit 3.82 A violated in 20 structures by 7.66 A, eliminated.
    Peak unassigned.
 
    Peak 486 (8.05, 8.31, 124.24 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 13.4:
        T HN    SER   85 - HN    ASP-  86   2.41 +/- 0.13  99.994% * 99.7141% (0.99 10.00   3.33  13.42) = 100.000%  kept
          HN    THR   94 - HN    ASP-  86  13.17 +/- 1.13   0.005% *  0.0224% (0.22  1.00   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ASP-  86  17.50 +/- 2.19   0.001% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
        T HN    ALA   34 - HN    ASP-  86  19.89 +/- 1.97   0.000% *  0.1762% (0.18 10.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 487 (7.69, 8.31, 124.24 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 3.69, residual support = 22.5:
          HN    TRP   87 - HN    ASP-  86   2.77 +/- 0.12  99.643% * 98.7385% (0.95   3.69  22.48) =  99.999%  kept
          HE3   TRP   87 - HN    ASP-  86   7.17 +/- 0.38   0.357% *  0.1746% (0.31   0.02  22.48) =   0.001%
          HN    GLN   17 - HN    ASP-  86  25.09 +/- 1.04   0.000% *  0.5646% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - HN    ASP-  86  26.96 +/- 1.89   0.000% *  0.5223% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 488 (4.31, 8.31, 124.24 ppm):
    9 chemical-shift based assignments, quality = 0.842, support = 4.02, residual support = 40.6:
      O   HA    ASP-  86 - HN    ASP-  86   2.72 +/- 0.04  81.212% * 84.6024% (0.87  10.0   4.05  41.59) =  96.398%  kept
      O   HA    SER   85 - HN    ASP-  86   3.53 +/- 0.02  17.059% * 15.0488% (0.15  10.0   3.27  13.42) =   3.602%  kept
          HA    TRP   87 - HN    ASP-  86   5.27 +/- 0.10   1.579% *  0.0271% (0.28   1.0   0.02  22.48) =   0.001%
          HB    THR   77 - HN    ASP-  86   9.06 +/- 2.14   0.143% *  0.0150% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  86  13.60 +/- 0.95   0.006% *  0.0193% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  86  21.72 +/- 3.51   0.001% *  0.0941% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  86  28.26 +/- 1.96   0.000% *  0.0900% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  86  31.53 +/- 4.33   0.000% *  0.0815% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  86  33.13 +/- 5.15   0.000% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 489 (8.31, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.69, residual support = 22.5:
          HN    ASP-  86 - HN    TRP   87   2.77 +/- 0.12  99.991% * 98.4310% (1.00   3.69  22.48) = 100.000%  kept
          HN    GLN   30 - HN    TRP   87  16.28 +/- 1.49   0.003% *  0.5336% (1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    TRP   87  15.86 +/- 1.26   0.003% *  0.3883% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    TRP   87  18.90 +/- 2.94   0.002% *  0.1651% (0.31   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    TRP   87  21.15 +/- 3.71   0.001% *  0.2007% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    TRP   87  28.31 +/- 2.67   0.000% *  0.2813% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 490 (4.33, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.85, support = 4.1, residual support = 70.2:
      O   HA    TRP   87 - HN    TRP   87   2.94 +/- 0.02  77.911% * 78.1363% (0.90  10.0   4.16  74.00) =  92.694%  kept
      O   HA    ASP-  86 - HN    TRP   87   3.62 +/- 0.02  22.086% * 21.7248% (0.25  10.0   3.39  22.48) =   7.306%  kept
          HA    LEU  104 - HN    TRP   87  19.67 +/- 3.47   0.002% *  0.0598% (0.69   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    TRP   87  21.95 +/- 1.10   0.000% *  0.0327% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    TRP   87  27.99 +/- 2.10   0.000% *  0.0269% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    TRP   87  31.62 +/- 4.28   0.000% *  0.0194% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (7.73, 10.56, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 1.88, residual support = 74.0:
      O   HD1   TRP   87 - HE1   TRP   87   2.64 +/- 0.00  98.677% * 98.5327% (0.28  10.0   1.88  74.00) =  99.996%  kept
          HE3   TRP   87 - HE1   TRP   87   5.48 +/- 0.00   1.227% *  0.2741% (0.73   1.0   0.02  74.00) =   0.003%
          HN    TRP   27 - HE1   TRP   87   9.72 +/- 1.56   0.060% *  0.3385% (0.90   1.0   0.02   2.64) =   0.000%
          HN    ALA   91 - HE1   TRP   87  10.35 +/- 0.85   0.034% *  0.3741% (0.99   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HE1   TRP   87  18.37 +/- 1.21   0.001% *  0.3642% (0.97   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HE1   TRP   87  18.92 +/- 1.89   0.001% *  0.1165% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (6.74, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 0.75, residual support = 2.64:
          HZ2   TRP   27 - HE1   TRP   87   6.24 +/- 2.69  98.756% * 99.3453% (0.80   0.75   2.64) =  99.992%  kept
          HZ    PHE   72 - HE1   TRP   87  18.27 +/- 1.54   1.244% *  0.6547% (0.20   0.02   0.02) =   0.008%
    Distance limit 4.18 A violated in 11 structures by 2.09 A, kept.
 
    Peak 493 (4.31, 7.82, 121.71 ppm):
    9 chemical-shift based assignments, quality = 0.284, support = 3.07, residual support = 5.24:
      O   HA    TRP   87 - HN    ALA   88   3.30 +/- 0.09  26.886% * 95.2913% (0.28  10.0   3.10   5.30) =  98.838%  kept
          HA    ASP-  86 - HN    ALA   88   4.18 +/- 0.22   7.558% *  3.5255% (0.87   1.0   0.24   0.02) =   1.028%  kept
          HA    SER   85 - HN    ALA   88   2.85 +/- 0.24  65.426% *  0.0529% (0.15   1.0   0.02   0.02) =   0.133%
          HB    THR   77 - HN    ALA   88   8.84 +/- 1.95   0.122% *  0.0529% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   88  13.28 +/- 0.97   0.007% *  0.0678% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   88  20.97 +/- 3.38   0.001% *  0.3308% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ALA   88  29.73 +/- 2.08   0.000% *  0.3164% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   88  33.39 +/- 4.24   0.000% *  0.2863% (0.84   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   88  35.18 +/- 4.99   0.000% *  0.0763% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 494 (4.32, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.605, support = 0.901, residual support = 16.0:
          HA    TRP   87 - HN    ILE   89   4.16 +/- 0.37  92.771% * 76.7694% (0.61   0.91  16.33) =  98.294%  kept
          HA    ASP-  86 - HN    ILE   89   6.43 +/- 0.43   7.206% * 17.1491% (0.53   0.24   0.02) =   1.706%  kept
          HA    LEU  104 - HN    ILE   89  20.02 +/- 3.06   0.014% *  2.6226% (0.95   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    ILE   89  20.75 +/- 1.08   0.007% *  0.4278% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE   89  28.68 +/- 2.29   0.001% *  1.6816% (0.61   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE   89  32.65 +/- 4.27   0.001% *  1.3495% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.06 A, kept.
 
    Peak 495 (7.72, 8.62, 127.39 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 6.75, residual support = 32.1:
          HN    ALA   91 - HN    GLN   90   2.72 +/- 0.43  99.914% * 99.1370% (0.92   6.75  32.10) = 100.000%  kept
          HE3   TRP   87 - HN    GLN   90   9.93 +/- 0.99   0.081% *  0.3071% (0.97   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    GLN   90  19.21 +/- 2.37   0.002% *  0.3071% (0.97   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLN   90  17.09 +/- 1.76   0.002% *  0.1930% (0.61   0.02   0.02) =   0.000%
          HN    GLN   17 - HN    GLN   90  24.80 +/- 2.41   0.000% *  0.0557% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 496 (4.48, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.346, support = 5.47, residual support = 95.0:
      O   HA    GLN   90 - HN    GLN   90   2.44 +/- 0.28  97.929% * 68.5367% (0.34  10.0   5.49  95.63) =  99.056%  kept
          HA    ALA   91 - HN    GLN   90   5.12 +/- 0.41   2.064% * 31.0095% (0.87   1.0   3.56  32.10) =   0.944%  kept
          HA    ALA  110 - HN    GLN   90  14.10 +/- 1.89   0.004% *  0.0901% (0.45   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    GLN   90  15.86 +/- 1.28   0.002% *  0.1939% (0.97   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    GLN   90  17.70 +/- 1.95   0.001% *  0.1300% (0.65   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   90  18.50 +/- 1.80   0.001% *  0.0398% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 497 (6.79, 7.39, 112.01 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 1.0, residual support = 95.6:
      O T HE22  GLN   90 - HE21  GLN   90   1.73 +/- 0.00 100.000% * 99.0596% (0.92  10.0 10.00   1.00  95.63) = 100.000%  kept
        T HE22  GLN   32 - HE21  GLN   90  29.85 +/- 2.86   0.000% *  0.8963% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN   90  28.53 +/- 3.51   0.000% *  0.0441% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 498 (7.38, 6.80, 112.00 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 1.0, residual support = 95.6:
      O   HE21  GLN   90 - HE22  GLN   90   1.73 +/- 0.00  99.988% * 99.4024% (0.76  10.0   1.00  95.63) = 100.000%  kept
          HD21  ASN   35 - HE22  GLN   32   8.51 +/- 0.71   0.008% *  0.0646% (0.25   1.0   0.02   6.35) =   0.000%
          HD1   TRP   49 - HE22  GLN   90  11.14 +/- 2.59   0.003% *  0.0401% (0.15   1.0   0.02   0.34) =   0.000%
          HD2   HIS   22 - HE22  GLN   32  15.27 +/- 1.99   0.000% *  0.0249% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   90  21.16 +/- 2.75   0.000% *  0.0579% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   90  24.31 +/- 3.07   0.000% *  0.0649% (0.25   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE22  GLN   90  29.71 +/- 3.10   0.000% *  0.1683% (0.65   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN   32  29.85 +/- 2.86   0.000% *  0.0763% (0.29   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   90  28.56 +/- 2.09   0.000% *  0.0456% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   32  32.17 +/- 1.60   0.000% *  0.0222% (0.09   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HE22  GLN   32  31.87 +/- 2.21   0.000% *  0.0154% (0.06   1.0   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   32  35.29 +/- 1.69   0.000% *  0.0175% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 499 (8.62, 7.72, 122.85 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.75, residual support = 32.1:
        T HN    GLN   90 - HN    ALA   91   2.72 +/- 0.43  99.861% * 99.6698% (0.95 10.00   6.75  32.10) = 100.000%  kept
          HN    GLY  109 - HN    ALA   91  10.08 +/- 1.52   0.074% *  0.0554% (0.53  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  12.69 +/- 0.96   0.017% *  0.0235% (0.22  1.00   0.02   0.02) =   0.000%
        T HN    GLN   90 - HN    TRP   27  17.09 +/- 1.76   0.002% *  0.1232% (0.12 10.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  10.93 +/- 1.72   0.043% *  0.0029% (0.03  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  20.21 +/- 2.39   0.001% *  0.1054% (1.00  1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  18.17 +/- 1.73   0.002% *  0.0130% (0.12  1.00   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  21.88 +/- 1.81   0.001% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.02 A, kept.
 
    Peak 500 (5.58, 7.72, 122.85 ppm):
    2 chemical-shift based assignments, quality = 0.119, support = 0.02, residual support = 22.3:
          HA    LEU   73 - HN    TRP   27   7.66 +/- 0.74  99.104% * 10.9973% (0.08   0.02  23.98) =  93.179%  kept
          HA    LEU   73 - HN    ALA   91  17.16 +/- 1.67   0.896% * 89.0027% (0.65   0.02   0.02) =   6.821%  kept
    Distance limit 4.37 A violated in 20 structures by 3.27 A, eliminated.
    Peak unassigned.
 
    Peak 501 (4.49, 7.72, 122.85 ppm):
    10 chemical-shift based assignments, quality = 0.874, support = 3.43, residual support = 27.6:
      O   HA    ALA   91 - HN    ALA   91   2.92 +/- 0.03  41.818% * 89.2967% (1.00  10.0   3.12  14.57) =  85.991%  kept
      O   HA    TRP   27 - HN    TRP   27   2.76 +/- 0.03  58.157% * 10.4606% (0.12  10.0   5.35 107.84) =  14.009%  kept
          HA    VAL  107 - HN    ALA   91  14.25 +/- 1.15   0.003% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ALA   91  13.27 +/- 2.77   0.008% *  0.0305% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   91  12.08 +/- 1.80   0.011% *  0.0157% (0.18   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  18.31 +/- 1.51   0.001% *  0.0847% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  19.51 +/- 1.41   0.001% *  0.0110% (0.12   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  21.43 +/- 1.01   0.000% *  0.0105% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.64 +/- 1.36   0.000% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    TRP   27  23.48 +/- 2.66   0.000% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 502 (7.73, 8.46, 118.59 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.55, residual support = 14.2:
          HN    ALA   91 - HN    MET   92   4.32 +/- 0.28  98.689% * 98.2295% (0.99   3.55  14.22) =  99.996%  kept
          HE3   TRP   87 - HN    MET   92  12.65 +/- 1.73   0.600% *  0.4050% (0.73   0.02   0.02) =   0.003%
          HD1   TRP   87 - HN    MET   92  10.63 +/- 1.75   0.649% *  0.1551% (0.28   0.02   0.02) =   0.001%
          HN    ALA   61 - HN    MET   92  16.32 +/- 1.64   0.048% *  0.5382% (0.97   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    MET   92  19.64 +/- 1.48   0.012% *  0.5002% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HN    MET   92  27.02 +/- 0.79   0.002% *  0.1721% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 503 (4.88, 8.46, 118.59 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.52, residual support = 64.2:
      O   HA    MET   92 - HN    MET   92   2.79 +/- 0.05  99.797% * 99.1845% (0.25  10.0   4.52  64.16) = 100.000%  kept
          HA    PHE   45 - HN    MET   92   9.00 +/- 1.57   0.202% *  0.0992% (0.25   1.0   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    MET   92  20.15 +/- 0.81   0.001% *  0.3185% (0.80   1.0   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    MET   92  22.46 +/- 1.18   0.000% *  0.3978% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 504 (4.50, 8.46, 118.59 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 3.55, residual support = 14.2:
      O   HA    ALA   91 - HN    MET   92   2.58 +/- 0.18  99.914% * 99.6892% (0.80  10.0   3.55  14.22) = 100.000%  kept
          HA    PRO   52 - HN    MET   92  10.90 +/- 2.98   0.046% *  0.0855% (0.69   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    MET   92  11.75 +/- 0.80   0.014% *  0.0805% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    MET   92  11.60 +/- 1.84   0.026% *  0.0246% (0.20   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    MET   92  19.64 +/- 1.26   0.001% *  0.1201% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 27.1:
        T HN    PHE   45 - HN    THR   94   3.26 +/- 0.63  97.738% * 99.8946% (0.95 10.00   3.30  27.12) =  99.998%  kept
          HN    ALA  110 - HN    THR   94   7.59 +/- 2.45   2.262% *  0.1054% (1.00  1.00   0.02   0.02) =   0.002%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 506 (5.60, 8.03, 115.19 ppm):
    1 chemical-shift based assignment, quality = 0.135, support = 0.02, residual support = 0.938:
          HA    LYS+ 106 - HN    THR   94   8.44 +/- 0.60 100.000% *100.0000% (0.14   0.02   0.94) = 100.000%  kept
    Distance limit 4.29 A violated in 20 structures by 4.15 A, eliminated.
    Peak unassigned.
 
    Peak 507 (5.04, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 4.09, residual support = 15.6:
      O   HA    PRO   93 - HN    THR   94   2.16 +/- 0.02  99.967% * 99.9112% (0.22  10.0   4.09  15.60) = 100.000%  kept
          HA    ASP-  76 - HN    THR   94   9.17 +/- 1.44   0.033% *  0.0888% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 0.97, support = 0.02, residual support = 0.02:
          HA    MET   92 - HN    THR   94   6.03 +/- 0.12  88.687% * 54.6147% (1.00   0.02   0.02) =  92.873%  kept
          HA    LYS+  74 - HN    THR   94   8.68 +/- 0.67  11.128% * 33.1992% (0.61   0.02   0.02) =   7.084%  kept
          HA    HIS  122 - HN    THR   94  17.24 +/- 1.47   0.185% * 12.1862% (0.22   0.02   0.02) =   0.043%
    Distance limit 3.72 A violated in 20 structures by 2.19 A, eliminated.
    Peak unassigned.
 
    Peak 509 (9.56, 9.87, 125.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 2.0, residual support = 45.5:
          HN    VAL  107 - HN    PHE   95   2.85 +/- 0.43  99.987% * 99.0525% (0.97   2.00  45.52) = 100.000%  kept
          HN    GLY   51 - HN    PHE   95  14.53 +/- 1.39   0.013% *  0.9475% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 3.86, residual support = 73.5:
          QD    PHE   95 - HN    PHE   95   3.18 +/- 0.44  99.433% * 99.3381% (0.87   3.86  73.53) =  99.998%  kept
          HN    ALA   47 - HN    PHE   95  10.86 +/- 1.69   0.368% *  0.5141% (0.87   0.02   0.02) =   0.002%
          QE    PHE   72 - HN    PHE   95  10.54 +/- 1.92   0.199% *  0.1478% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 4.33, residual support = 73.5:
      O   HA    PHE   95 - HN    PHE   95   2.93 +/- 0.01 100.000% *100.0000% (1.00  10.0   4.33  73.53) = 100.000%  kept
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 512 (4.94, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.16, residual support = 14.6:
      O   HA    THR   94 - HN    PHE   95   2.30 +/- 0.11  99.966% * 99.8515% (0.65  10.0   3.16  14.60) = 100.000%  kept
          HA    LYS+  74 - HN    PHE   95  10.47 +/- 0.54   0.013% *  0.1180% (0.76   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    PHE   95   9.46 +/- 0.18   0.021% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 513 (5.96, 9.32, 123.66 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 4.0, residual support = 12.0:
      O   HA    PHE   95 - HN    MET   96   2.21 +/- 0.04 100.000% *100.0000% (0.95  10.0   4.00  11.99) = 100.000%  kept
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 514 (5.31, 9.32, 123.66 ppm):
    2 chemical-shift based assignments, quality = 0.938, support = 4.09, residual support = 115.6:
      O   HA    MET   96 - HN    MET   96   2.91 +/- 0.01  99.660% * 99.9800% (0.94  10.0   4.09 115.57) = 100.000%  kept
          HA    PHE   72 - HN    MET   96   7.69 +/- 0.54   0.340% *  0.0200% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 515 (7.80, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 4.07, residual support = 53.5:
        T HN    ASP- 105 - HN    PHE   97   3.62 +/- 0.72  99.976% * 99.9802% (1.00 10.00   4.07  53.46) = 100.000%  kept
          HN    ALA   88 - HN    PHE   97  16.23 +/- 2.22   0.024% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.07 A, kept.
 
    Peak 516 (7.12, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.11, residual support = 62.7:
          QD    PHE   97 - HN    PHE   97   3.08 +/- 0.71  99.728% * 98.9956% (0.80   4.11  62.71) =  99.999%  kept
          HZ3   TRP   87 - HN    PHE   97  10.94 +/- 3.38   0.263% *  0.5223% (0.87   0.02   0.02) =   0.001%
          HE3   TRP   49 - HN    PHE   97  21.22 +/- 3.14   0.008% *  0.4821% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.11 A, kept.
 
    Peak 517 (5.62, 8.40, 123.79 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 2.47, residual support = 8.66:
          HA    LYS+ 106 - HN    PHE   97   3.92 +/- 0.49 100.000% *100.0000% (0.98   2.47   8.66) = 100.000%  kept
    Distance limit 4.27 A violated in 1 structures by 0.10 A, kept.
 
    Peak 518 (5.31, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 6.07, residual support = 46.5:
      O   HA    MET   96 - HN    PHE   97   2.26 +/- 0.05  99.984% * 99.9800% (0.99  10.0   6.07  46.53) = 100.000%  kept
          HA    PHE   72 - HN    PHE   97   9.85 +/- 0.58   0.016% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 519 (9.01, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 5.43, residual support = 28.0:
        T HN    VAL   41 - HN    LEU   98   3.28 +/- 0.69 100.000% *100.0000% (0.69 10.00   5.43  28.00) = 100.000%  kept
    Distance limit 3.91 A violated in 1 structures by 0.10 A, kept.
 
    Peak 520 (5.50, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.21, residual support = 81.7:
      O   HA    LEU   98 - HN    LEU   98   2.93 +/- 0.02 100.000% *100.0000% (0.80  10.0   5.21  81.72) = 100.000%  kept
    Distance limit 4.12 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 = 3.44, residual support = 10.9:
      O   HA    PHE   97 - HN    LEU   98   2.20 +/- 0.00 100.000% *100.0000% (0.98  10.0   3.44  10.94) = 100.000%  kept
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 522 (4.42, 9.69, 125.68 ppm):
    8 chemical-shift based assignments, quality = 0.483, support = 1.45, residual support = 4.83:
          HA    VAL   42 - HN    LEU   98   3.73 +/- 0.75  76.659% * 25.7287% (0.45   0.93   0.47) =  55.497%  kept
          HA    LEU   40 - HN    LEU   98   4.95 +/- 0.70  23.250% * 68.0225% (0.53   2.09  10.28) =  44.500%  kept
          HA    SER   37 - HN    LEU   98  14.25 +/- 0.72   0.029% *  1.1917% (0.97   0.02   0.02) =   0.001%
          HA    THR   46 - HN    LEU   98  16.05 +/- 1.40   0.015% *  1.2239% (0.99   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    LEU   98  16.08 +/- 0.63   0.014% *  1.1917% (0.97   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU   98  16.10 +/- 1.52   0.016% *  0.8967% (0.73   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU   98  17.81 +/- 2.26   0.014% *  0.8482% (0.69   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   98  21.36 +/- 2.41   0.004% *  0.8967% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.02 A, kept.
 
    Peak 523 (7.77, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 0.909, residual support = 1.81:
          HN    LYS+ 102 - HN    LYS+  99   2.80 +/- 0.64  98.607% * 95.6845% (0.95   0.91   1.82) =  99.994%  kept
          HN    ASP- 105 - HN    LYS+  99   6.70 +/- 0.39   1.029% *  0.3895% (0.18   0.02   0.02) =   0.004%
          HN    THR   39 - HN    LYS+  99   9.58 +/- 0.50   0.117% *  0.8348% (0.38   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    LYS+  99  12.34 +/- 0.62   0.026% *  1.7810% (0.80   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    GLN   30   9.27 +/- 0.24   0.148% *  0.1170% (0.05   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  99  17.33 +/- 2.60   0.005% *  0.9144% (0.41   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLN   30  11.11 +/- 0.30   0.050% *  0.0548% (0.02   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLN   30  14.69 +/- 1.52   0.012% *  0.0601% (0.03   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    GLN   30  15.73 +/- 1.55   0.005% *  0.1382% (0.06   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLN   30  18.32 +/- 0.98   0.003% *  0.0256% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.07 A, kept.
 
    Peak 524 (5.51, 8.33, 118.17 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.25, residual support = 17.7:
      O   HA    LEU   98 - HN    LYS+  99   2.28 +/- 0.06  99.998% * 99.9934% (0.99  10.0   4.25  17.66) = 100.000%  kept
          HA    LEU   98 - HN    GLN   30  14.63 +/- 0.84   0.002% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 525 (4.37, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.801, support = 5.18, residual support = 171.0:
      O   HA    LYS+  99 - HN    LYS+  99   2.91 +/- 0.03  99.826% * 99.5300% (0.80  10.0   5.18 171.04) = 100.000%  kept
          HA    ASN   35 - HN    LYS+  99   9.23 +/- 0.61   0.108% *  0.0804% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  99  16.26 +/- 3.17   0.006% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN   30  10.72 +/- 0.26   0.041% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    LYS+  99  18.14 +/- 1.55   0.002% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  99  21.20 +/- 2.29   0.001% *  0.0754% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LYS+  99  22.18 +/- 0.65   0.001% *  0.1240% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLN   30  13.83 +/- 0.74   0.009% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    LYS+  99  17.91 +/- 3.04   0.003% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN   30  17.45 +/- 1.55   0.003% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLN   30  22.57 +/- 1.04   0.000% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLN   30  24.50 +/- 1.21   0.000% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLN   30  25.16 +/- 3.18   0.000% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLN   30  30.03 +/- 1.40   0.000% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 526 (8.85, 10.11, 128.03 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.61, residual support = 14.9:
        T HN    GLY  101 - HN    GLU- 100   3.07 +/- 0.50  95.948% * 99.9864% (1.00 10.00   3.61  14.95) =  99.999%  kept
          HN    LEU   40 - HN    GLU- 100   5.79 +/- 1.01   4.052% *  0.0136% (0.14  1.00   0.02   0.02) =   0.001%
    Distance limit 3.94 A violated in 0 structures by 0.01 A, kept.
 
    Peak 527 (4.37, 10.11, 128.03 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 6.82, residual support = 39.6:
      O   HA    LYS+  99 - HN    GLU- 100   2.19 +/- 0.03  90.739% * 99.5956% (0.99  10.0   6.82  39.58) =  99.998%  kept
          HA    LEU   40 - HN    GLU- 100   3.81 +/- 1.07   8.885% *  0.0199% (0.20   1.0   0.02   0.02) =   0.002%
          HA    ASN   35 - HN    GLU- 100   5.82 +/- 0.81   0.375% *  0.0928% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU- 100  17.47 +/- 3.64   0.001% *  0.0805% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU- 100  23.56 +/- 2.34   0.000% *  0.0901% (0.90   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 100  20.08 +/- 1.60   0.000% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU- 100  25.24 +/- 0.56   0.000% *  0.0901% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 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   2.43 +/- 0.72  99.744% * 98.8217% (0.95   3.12  12.50) =  99.999%  kept
          HN    THR   39 - HN    GLY  101   8.53 +/- 1.13   0.137% *  0.2509% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    GLY  101  10.22 +/- 1.15   0.049% *  0.5354% (0.80   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLY  101   9.86 +/- 0.50   0.067% *  0.1171% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLY  101  18.10 +/- 2.83   0.003% *  0.2749% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 530 (8.33, 7.76, 120.90 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 0.91, residual support = 1.82:
          HN    LYS+  99 - HN    LYS+ 102   2.80 +/- 0.64  99.899% * 94.9259% (0.98   0.91   1.82) =  99.999%  kept
          HE1   HIS  122 - HN    LYS+ 102  13.04 +/- 4.08   0.052% *  2.0144% (0.95   0.02   0.02) =   0.001%
          HN    ASN   35 - HN    LYS+ 102  10.81 +/- 1.49   0.042% *  0.3286% (0.15   0.02   0.02) =   0.000%
          HN    GLN   30 - HN    LYS+ 102  15.73 +/- 1.55   0.005% *  0.5310% (0.25   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    LYS+ 102  20.85 +/- 3.66   0.002% *  0.4214% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    LYS+ 102  23.95 +/- 2.90   0.000% *  1.7787% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.04 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   2.43 +/- 0.72  99.958% * 99.9864% (1.00 10.00   3.12  12.50) = 100.000%  kept
          HN    LEU   40 - HN    LYS+ 102   9.78 +/- 1.20   0.042% *  0.0136% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.03 A, kept.
 
    Peak 532 (10.10, 8.85, 104.25 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.61, residual support = 14.9:
        T HN    GLU- 100 - HN    GLY  101   3.07 +/- 0.50 100.000% *100.0000% (0.80 10.00   3.61  14.95) = 100.000%  kept
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 533 (4.37, 8.85, 104.25 ppm):
    7 chemical-shift based assignments, quality = 0.987, support = 1.42, residual support = 1.41:
          HA    LYS+  99 - HN    GLY  101   3.81 +/- 0.60  88.503% * 89.5566% (0.99   1.43   1.42) =  99.435%  kept
          HA    LEU   40 - HN    GLY  101   6.04 +/- 1.16   7.131% *  5.6065% (0.20   0.45   0.02) =   0.502%  kept
          HA    ASN   35 - HN    GLY  101   6.88 +/- 1.05   4.345% *  1.1670% (0.92   0.02   0.02) =   0.064%
          HA    LEU  123 - HN    GLY  101  18.96 +/- 3.34   0.013% *  1.0123% (0.80   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLY  101  23.96 +/- 2.21   0.003% *  1.1337% (0.90   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLY  101  20.95 +/- 1.50   0.005% *  0.3902% (0.31   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLY  101  25.25 +/- 0.73   0.001% *  1.1337% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.02 A, kept.
 
    Peak 534 (4.14, 8.85, 104.25 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 2.86, residual support = 15.4:
      O   HA1   GLY  101 - HN    GLY  101   2.56 +/- 0.22  99.914% * 99.5220% (1.00  10.0   2.86  15.44) = 100.000%  kept
          HA    ALA   34 - HN    GLY  101   8.87 +/- 1.37   0.075% *  0.0963% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLY  101  12.97 +/- 1.43   0.008% *  0.0833% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLY  101  17.92 +/- 1.50   0.001% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLY  101  19.67 +/- 0.83   0.001% *  0.0865% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLY  101  21.58 +/- 1.28   0.000% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLY  101  18.92 +/- 3.99   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    GLY  101  27.09 +/- 2.51   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 535 (9.36, 8.62, 122.05 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 6.59, residual support = 36.6:
          HN    LEU  104 - HN    ILE  103   4.60 +/- 0.08  99.948% * 99.3923% (0.49   6.59  36.61) = 100.000%  kept
          HN    PHE   72 - HN    ILE  103  16.42 +/- 0.83   0.052% *  0.6077% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.19 A, kept.
 
    Peak 536 (4.60, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.97, residual support = 22.4:
      O   HA    LYS+ 102 - HN    ILE  103   2.27 +/- 0.10  99.998% * 99.7796% (0.97  10.0   5.97  22.44) = 100.000%  kept
          HA    CYS   50 - HN    ILE  103  24.66 +/- 3.20   0.001% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ILE  103  20.75 +/- 2.22   0.000% *  0.0710% (0.69   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ILE  103  27.60 +/- 3.96   0.000% *  0.0503% (0.49   1.0   0.02   0.02) =   0.000%
          HA1   GLY  109 - HN    ILE  103  18.89 +/- 0.72   0.000% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  103  21.06 +/- 1.36   0.000% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 537 (4.28, 8.62, 122.05 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 6.99, residual support = 138.2:
      O   HA    ILE  103 - HN    ILE  103   2.78 +/- 0.08  99.978% * 99.2916% (0.98  10.0   6.99 138.23) = 100.000%  kept
          HA    THR   39 - HN    ILE  103  13.58 +/- 0.73   0.008% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ILE  103  14.26 +/- 1.34   0.006% *  0.0879% (0.87   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ILE  103  20.68 +/- 3.85   0.001% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ILE  103  17.60 +/- 4.43   0.004% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ILE  103  21.97 +/- 3.32   0.001% *  0.0935% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ILE  103  22.00 +/- 2.50   0.001% *  0.0416% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ILE  103  27.57 +/- 3.48   0.000% *  0.0736% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ILE  103  25.33 +/- 3.08   0.000% *  0.0908% (0.90   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ILE  103  31.27 +/- 3.70   0.000% *  0.0846% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE  103  26.30 +/- 1.87   0.000% *  0.0156% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE  103  30.02 +/- 3.47   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 538 (7.80, 9.38, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 6.63, residual support = 41.5:
        T HN    ASP- 105 - HN    LEU  104   2.70 +/- 0.45  99.992% * 99.9802% (1.00 10.00   6.63  41.48) = 100.000%  kept
          HN    ALA   88 - HN    LEU  104  18.68 +/- 3.21   0.008% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.04 A, kept.
 
    Peak 539 (5.50, 9.38, 128.74 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 2.71, residual support = 6.7:
          HA    LEU   98 - HN    LEU  104   3.06 +/- 0.55 100.000% *100.0000% (0.80   2.71   6.70) = 100.000%  kept
    Distance limit 3.84 A violated in 0 structures by 0.03 A, kept.
 
    Peak 540 (4.29, 9.38, 128.74 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 5.99, residual support = 36.6:
      O   HA    ILE  103 - HN    LEU  104   2.29 +/- 0.11  99.979% * 99.2645% (0.95  10.0   5.99  36.61) = 100.000%  kept
          HA    ASP-  44 - HN    LEU  104  11.73 +/- 1.12   0.008% *  0.1049% (1.00   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU  104  12.24 +/- 1.02   0.005% *  0.0552% (0.53   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU  104  18.34 +/- 2.59   0.006% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    LEU  104  18.83 +/- 3.67   0.001% *  0.0470% (0.45   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU  104  20.84 +/- 2.70   0.000% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU  104  21.25 +/- 3.16   0.000% *  0.1040% (0.99   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU  104  24.83 +/- 3.51   0.001% *  0.0431% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU  104  24.52 +/- 2.58   0.000% *  0.0636% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    LEU  104  23.77 +/- 1.69   0.000% *  0.0394% (0.38   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU  104  29.73 +/- 3.16   0.000% *  0.1047% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    LEU  104  28.01 +/- 3.02   0.000% *  0.0511% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 4.07, residual support = 53.5:
        T HN    PHE   97 - HN    ASP- 105   3.62 +/- 0.72  99.873% * 99.7623% (0.73 10.00   4.07  53.46) = 100.000%  kept
          HN    LEU  115 - HN    ASP- 105  12.61 +/- 0.66   0.109% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
          HN    ASN   35 - HN    ASP- 105  16.18 +/- 0.83   0.018% *  0.0382% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ASP- 105  28.46 +/- 2.54   0.001% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 1 structures by 0.12 A, kept.
 
    Peak 542 (9.39, 7.80, 116.22 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 6.63, residual support = 41.5:
        T HN    LEU  104 - HN    ASP- 105   2.70 +/- 0.45  99.988% * 99.9822% (0.87 10.00   6.63  41.48) = 100.000%  kept
          HN    PHE   72 - HN    ASP- 105  13.79 +/- 0.81   0.012% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.04 A, kept.
 
    Peak 543 (5.63, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 5.18, residual support = 135.8:
      O   HA    LYS+ 106 - HN    LYS+ 106   2.89 +/- 0.03 100.000% *100.0000% (0.95  10.0   5.18 135.79) = 100.000%  kept
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 544 (4.80, 8.97, 118.18 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.49, residual support = 21.6:
      O   HA    ASP- 105 - HN    LYS+ 106   2.47 +/- 0.07  99.999% * 99.6913% (0.92  10.0   3.49  21.58) = 100.000%  kept
          HA    LEU   80 - HN    LYS+ 106  22.84 +/- 2.43   0.000% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    LYS+ 106  21.58 +/- 1.83   0.000% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    LYS+ 106  23.55 +/- 1.87   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    LYS+ 106  23.23 +/- 2.28   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 545 (4.80, 7.80, 116.22 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 4.42, residual support = 42.8:
      O   HA    ASP- 105 - HN    ASP- 105   2.90 +/- 0.02  99.998% * 99.6913% (0.92  10.0   4.42  42.75) = 100.000%  kept
          HA    LEU   80 - HN    ASP- 105  22.66 +/- 2.82   0.001% *  0.1022% (0.95   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HN    ASP- 105  20.67 +/- 1.94   0.001% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP- 105  22.63 +/- 1.92   0.001% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ASP- 105  24.18 +/- 2.25   0.000% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 546 (4.29, 7.80, 116.22 ppm):
    12 chemical-shift based assignments, quality = 0.359, support = 6.17, residual support = 39.1:
      O   HA    LEU  104 - HN    ASP- 105   3.60 +/- 0.10  82.000% * 76.3383% (0.34  10.0   6.36  41.48) =  94.043%  kept
          HA    ILE  103 - HN    ASP- 105   4.79 +/- 0.53  17.808% * 22.2634% (0.65   1.0   3.08   2.31) =   5.956%  kept
          HA    ASP-  44 - HN    ASP- 105  11.00 +/- 1.26   0.130% *  0.1869% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ASP- 105  13.14 +/- 0.87   0.038% *  0.0498% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP- 105  19.93 +/- 3.11   0.004% *  0.1792% (0.80   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ASP- 105  20.58 +/- 2.48   0.003% *  0.1710% (0.76   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ASP- 105  23.32 +/- 3.42   0.012% *  0.0345% (0.15   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP- 105  21.87 +/- 2.66   0.002% *  0.1710% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP- 105  23.48 +/- 1.54   0.001% *  0.1625% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP- 105  28.05 +/- 2.82   0.000% *  0.1869% (0.84   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ASP- 105  24.66 +/- 2.45   0.001% *  0.0622% (0.28   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP- 105  30.03 +/- 2.93   0.000% *  0.1941% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 547 (7.14, 9.57, 125.50 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 1.5, residual support = 2.48:
          QD    PHE   97 - HN    VAL  107   5.48 +/- 1.25  98.411% * 98.5222% (0.87   1.50   2.48) =  99.984%  kept
          HZ3   TRP   87 - HN    VAL  107  13.42 +/- 2.44   1.192% *  1.2126% (0.80   0.02   0.02) =   0.015%
          HE3   TRP   49 - HN    VAL  107  17.82 +/- 2.24   0.397% *  0.2652% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.41 A violated in 9 structures by 1.11 A, kept.
 
    Peak 548 (5.62, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.58, residual support = 25.0:
      O   HA    LYS+ 106 - HN    VAL  107   2.24 +/- 0.05 100.000% *100.0000% (0.98  10.0   4.58  25.04) = 100.000%  kept
    Distance limit 3.10 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 = 57.9:
      O   HA    VAL  107 - HN    VAL  107   2.94 +/- 0.00  99.785% * 99.7406% (0.95  10.0   3.66  57.91) = 100.000%  kept
          HA    ALA  110 - HN    VAL  107   8.77 +/- 1.29   0.191% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  107  13.54 +/- 0.69   0.011% *  0.1052% (1.00   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  107  14.53 +/- 1.86   0.010% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  107  17.17 +/- 0.86   0.003% *  0.0997% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 550 (7.14, 7.80, 116.22 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.47, residual support = 53.5:
          QD    PHE   97 - HN    ASP- 105   3.52 +/- 0.64  99.840% * 99.5903% (0.87   5.47  53.46) =  99.999%  kept
          HZ3   TRP   87 - HN    ASP- 105  13.73 +/- 3.95   0.158% *  0.3362% (0.80   0.02   0.02) =   0.001%
          HE3   TRP   49 - HN    ASP- 105  23.43 +/- 3.80   0.002% *  0.0735% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.56 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 = 0.267, support = 0.0199, residual support = 0.0199:
          HA    THR   94 - HN    GLY  109   4.91 +/- 1.40  89.529% * 19.2756% (0.26   0.02   0.02) =  86.468%  kept
          HA    MET   92 - HN    GLY  109   7.24 +/- 1.79  10.312% * 25.3346% (0.34   0.02   0.02) =  13.090%  kept
          HA    LYS+  74 - HN    GLY  109  15.00 +/- 1.73   0.159% * 55.3898% (0.74   0.02   0.02) =   0.442%
    Distance limit 4.35 A violated in 4 structures by 0.61 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 = 0.49, support = 2.23, residual support = 8.23:
      O   HA    VAL  108 - HN    GLY  109   2.24 +/- 0.03  77.123% * 31.6430% (0.34  10.0   2.33   7.61) =  61.063%  kept
      O   HA1   GLY  109 - HN    GLY  109   2.78 +/- 0.22  22.846% * 68.1141% (0.73  10.0   2.07   9.21) =  38.937%  kept
          HA    CYS   50 - HN    GLY  109  11.77 +/- 3.03   0.014% *  0.0692% (0.74   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    GLY  109  12.69 +/- 2.96   0.014% *  0.0400% (0.43   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    GLY  109  15.36 +/- 3.02   0.002% *  0.0612% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY  109  19.55 +/- 0.61   0.000% *  0.0241% (0.26   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY  109  22.63 +/- 1.83   0.000% *  0.0485% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 553 (7.59, 8.75, 122.21 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 3.04, residual support = 9.12:
          HN    LYS+ 111 - HN    ALA  110   3.28 +/- 0.51  99.131% * 97.3107% (0.90   3.04   9.12) =  99.994%  kept
          HN    ILE   56 - HN    ALA  110   8.83 +/- 3.19   0.838% *  0.6991% (0.98   0.02   3.37) =   0.006%
          HN    LEU   63 - HN    ALA  110  14.48 +/- 1.79   0.018% *  0.6584% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA  110  18.31 +/- 2.75   0.005% *  0.6396% (0.90   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA  110  17.74 +/- 2.50   0.007% *  0.1249% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA  110  22.84 +/- 2.35   0.001% *  0.2201% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA  110  31.78 +/- 2.01   0.000% *  0.3472% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.50 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 = 0.692, support = 2.02, residual support = 6.1:
      O   HA1   GLY  109 - HN    ALA  110   3.43 +/- 0.37  56.654% * 93.8842% (0.69  10.0   2.07   6.39) =  95.537%  kept
          HA    VAL  108 - HN    ALA  110   3.95 +/- 0.95  43.013% *  5.7754% (0.80   1.0   1.06   0.02) =   4.462%  kept
          HA    CYS   50 - HN    ALA  110  11.43 +/- 3.51   0.273% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    ALA  110  13.17 +/- 2.89   0.042% *  0.1226% (0.90   1.0   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ALA  110  15.15 +/- 3.42   0.018% *  0.0719% (0.53   1.0   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA  110  23.28 +/- 2.47   0.001% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 555 (4.49, 8.75, 122.21 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 2.74, residual support = 9.59:
      O   HA    ALA  110 - HN    ALA  110   2.35 +/- 0.20  99.688% * 98.1886% (0.18  10.0   2.74   9.59) =  99.999%  kept
          HA    VAL  107 - HN    ALA  110   6.76 +/- 0.81   0.206% *  0.5304% (0.95   1.0   0.02   0.02) =   0.001%
          HA    ALA   91 - HN    ALA  110  10.16 +/- 1.92   0.031% *  0.5594% (1.00   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ALA  110   9.76 +/- 3.66   0.075% *  0.1912% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA  110  22.07 +/- 2.20   0.000% *  0.5304% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 556 (8.49, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 5.34, residual support = 28.1:
        T HN    LYS+ 112 - HN    LYS+ 111   4.38 +/- 0.13  99.841% * 99.8172% (0.99 10.00   5.34  28.11) = 100.000%  kept
          HN    THR   46 - HN    LYS+ 111  14.40 +/- 2.19   0.110% *  0.0199% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LYS+  74 - HN    LYS+ 111  19.57 +/- 2.31   0.016% *  0.0570% (0.57  1.00   0.02   0.02) =   0.000%
          HN    ASP-  78 - HN    LYS+ 111  19.10 +/- 3.07   0.033% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    LYS+ 111  38.16 +/- 3.18   0.000% *  0.0903% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.32 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   3.28 +/- 0.51  99.950% * 99.9053% (1.00 10.00   3.04   9.12) = 100.000%  kept
          HN    PHE   45 - HN    LYS+ 111  12.24 +/- 1.81   0.050% *  0.0947% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.02 A, kept.
 
    Peak 558 (6.86, 7.58, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.788, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HN    LYS+ 111  12.04 +/- 1.75  41.893% * 58.2608% (1.00   0.02   0.02) =  67.110%  kept
          HE22  GLN  116 - HN    LYS+ 111  12.21 +/- 0.97  37.324% * 19.8732% (0.34   0.02   0.02) =  20.395%  kept
          HD2   HIS  122 - HN    LYS+ 111  13.46 +/- 1.67  20.783% * 21.8659% (0.38   0.02   0.02) =  12.495%  kept
    Distance limit 4.42 A violated in 20 structures by 5.80 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   2.95 +/- 0.38  98.427% * 99.3312% (0.45  10.0   3.04   9.12) =  99.997%  kept
          HA    VAL  107 - HN    LYS+ 111   6.51 +/- 1.72   1.452% *  0.2138% (0.97   1.0   0.02   0.02) =   0.003%
          HA    ALA   91 - HN    LYS+ 111  12.70 +/- 1.74   0.028% *  0.1922% (0.87   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LYS+ 111  10.83 +/- 2.99   0.087% *  0.0438% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LYS+ 111  16.09 +/- 1.80   0.006% *  0.0756% (0.34   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LYS+ 111  23.59 +/- 2.12   0.000% *  0.1433% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.17 A, kept.
 
    Peak 560 (4.54, 8.49, 124.18 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 7.1, residual support = 28.1:
      O   HA    LYS+ 111 - HN    LYS+ 112   2.34 +/- 0.22  99.967% * 99.8075% (0.53  10.0   7.10  28.11) = 100.000%  kept
          HA    VAL  108 - HN    LYS+ 112   9.28 +/- 0.54   0.032% *  0.1074% (0.57   1.0   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    LYS+ 112  17.39 +/- 1.40   0.001% *  0.0851% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 4.13, residual support = 21.6:
        T HN    GLU- 114 - HN    ASP- 113   2.61 +/- 0.16  96.903% * 99.7300% (0.81 10.00   4.13  21.58) =  99.997%  kept
          HN    GLN  116 - HN    ASP- 113   4.76 +/- 0.31   2.940% *  0.0946% (0.76  1.00   0.02   1.50) =   0.003%
          HN    THR  118 - HN    ASP- 113   7.86 +/- 0.75   0.147% *  0.0682% (0.55  1.00   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    ASP- 113  12.40 +/- 0.80   0.009% *  0.0433% (0.35  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ASP- 113  22.84 +/- 1.02   0.000% *  0.0639% (0.52  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 562 (8.43, 8.16, 121.97 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 4.13, residual support = 21.6:
        T HN    ASP- 113 - HN    GLU- 114   2.61 +/- 0.16 100.000% *100.0000% (1.00 10.00   4.13  21.58) = 100.000%  kept
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 563 (4.15, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 3.6, residual support = 44.3:
      O   HA    GLU- 114 - HN    GLU- 114   2.80 +/- 0.04  97.338% * 99.6055% (0.97  10.0   3.60  44.29) =  99.999%  kept
          HA    LEU  115 - HN    GLU- 114   5.13 +/- 0.14   2.633% *  0.0543% (0.53   1.0   0.02  15.24) =   0.001%
          HA    CYS   53 - HN    GLU- 114  12.18 +/- 1.82   0.028% *  0.0319% (0.31   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU- 114  24.24 +/- 1.11   0.000% *  0.0895% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU- 114  26.74 +/- 1.00   0.000% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLU- 114  29.80 +/- 1.68   0.000% *  0.0976% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLU- 114  27.30 +/- 1.49   0.000% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 564 (4.53, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 2.17, residual support = 3.92:
          HA    LYS+ 111 - HN    ASP- 113   3.77 +/- 0.33  99.397% * 99.1921% (0.74   2.17   3.92) =  99.998%  kept
          HA    VAL  108 - HN    ASP- 113   9.89 +/- 0.80   0.440% *  0.2631% (0.21   0.02   0.02) =   0.001%
          HA    PRO   52 - HN    ASP- 113  12.52 +/- 2.47   0.156% *  0.3599% (0.29   0.02   0.02) =   0.001%
          HA    ALA   47 - HN    ASP- 113  19.35 +/- 1.60   0.007% *  0.1848% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 565 (4.37, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.851, support = 3.42, residual support = 14.3:
      O   HA    ASP- 113 - HN    ASP- 113   2.78 +/- 0.06  99.856% * 99.6702% (0.85  10.0   3.42  14.25) = 100.000%  kept
          HA    ILE   56 - HN    ASP- 113   9.49 +/- 1.80   0.106% *  0.0606% (0.52   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    ASP- 113  10.82 +/- 1.04   0.035% *  0.0606% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASP- 113  17.00 +/- 0.54   0.002% *  0.0486% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASP- 113  23.64 +/- 0.66   0.000% *  0.0800% (0.68   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP- 113  22.82 +/- 1.82   0.000% *  0.0154% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP- 113  30.28 +/- 0.77   0.000% *  0.0646% (0.55   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 566 (8.18, 8.40, 122.87 ppm):
    6 chemical-shift based assignments, quality = 0.925, support = 7.43, residual support = 85.4:
        T HN    GLN  116 - HN    LEU  115   2.75 +/- 0.11  40.956% * 85.3203% (0.99 10.00   7.96 102.11) =  80.801%  kept
          HN    GLU- 114 - HN    LEU  115   2.60 +/- 0.16  57.270% * 14.4952% (0.65  1.00   5.21  15.24) =  19.196%  kept
          HN    THR  118 - HN    LEU  115   4.75 +/- 0.45   1.749% *  0.0814% (0.95  1.00   0.02   0.02) =   0.003%
          HN    PHE   60 - HN    LEU  115   9.66 +/- 0.66   0.024% *  0.0658% (0.76  1.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    LEU  115  19.23 +/- 0.89   0.000% *  0.0239% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    LEU  115  25.09 +/- 1.36   0.000% *  0.0133% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 567 (8.39, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 7.96, residual support = 102.1:
        T HN    LEU  115 - HN    GLN  116   2.75 +/- 0.11  99.994% * 99.8619% (0.98 10.00   7.96 102.11) = 100.000%  kept
          HN    PHE   97 - HN    GLN  116  13.87 +/- 0.63   0.006% *  0.0999% (0.98  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLN  116  32.80 +/- 1.92   0.000% *  0.0382% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 568 (8.67, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.62, residual support = 27.8:
        T HN    SER  117 - HN    GLN  116   2.72 +/- 0.14  99.999% * 99.8966% (0.97 10.00   5.62  27.81) = 100.000%  kept
          HN    GLY   16 - HN    GLN  116  20.79 +/- 1.15   0.001% *  0.0829% (0.80  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN  116  27.85 +/- 1.39   0.000% *  0.0205% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 569 (8.18, 8.66, 115.11 ppm):
    6 chemical-shift based assignments, quality = 0.969, support = 4.25, residual support = 16.7:
        T HN    GLN  116 - HN    SER  117   2.72 +/- 0.14  48.590% * 50.9371% (0.99 10.00   5.62  27.81) =  50.619%  kept
        T HN    THR  118 - HN    SER  117   2.72 +/- 0.18  49.665% * 48.6147% (0.95 10.00   2.85   5.34) =  49.380%  kept
          HN    GLU- 114 - HN    SER  117   4.77 +/- 0.30   1.736% *  0.0332% (0.65  1.00   0.02   0.02) =   0.001%
        T HN    PHE   60 - HN    SER  117  11.35 +/- 0.56   0.009% *  0.3928% (0.76 10.00   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    SER  117  19.05 +/- 1.32   0.000% *  0.0143% (0.28  1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    SER  117  25.31 +/- 1.23   0.000% *  0.0079% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 570 (6.84, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.57, residual support = 123.6:
      O   HE22  GLN  116 - HE21  GLN  116   1.73 +/- 0.00  99.994% * 99.8133% (0.95  10.0   2.57 123.65) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN  116   9.66 +/- 1.42   0.006% *  0.1018% (0.96   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HE21  GLN  116  17.25 +/- 1.28   0.000% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN  116  23.16 +/- 2.28   0.000% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 571 (7.42, 6.83, 111.00 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 2.57, residual support = 123.6:
      O T HE21  GLN  116 - HE22  GLN  116   1.73 +/- 0.00  99.801% * 99.7477% (0.90  10.0 10.00   2.57 123.65) = 100.000%  kept
          HN    ALA  120 - HE22  GLN  116   5.87 +/- 1.23   0.195% *  0.1090% (0.98   1.0  1.00   0.02   0.15) =   0.000%
          HN    ALA   57 - HE22  GLN  116  12.01 +/- 2.19   0.002% *  0.0929% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN  116  11.47 +/- 1.87   0.002% *  0.0195% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN  116  28.65 +/- 1.98   0.000% *  0.0309% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 572 (4.37, 8.17, 116.99 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 0.749, residual support = 1.5:
          HA    ASP- 113 - HN    GLN  116   3.74 +/- 0.26  95.742% * 91.8913% (1.00   0.75   1.50) =  99.928%  kept
          HA    PHE   59 - HN    GLN  116   7.23 +/- 0.93   2.928% *  1.4896% (0.61   0.02   0.32) =   0.050%
          HA    ILE   56 - HN    GLN  116   8.24 +/- 1.26   1.246% *  1.4896% (0.61   0.02   0.02) =   0.021%
          HA    LEU  123 - HN    GLN  116  12.50 +/- 0.51   0.076% *  1.1954% (0.49   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLN  116  20.21 +/- 0.85   0.004% *  1.9665% (0.80   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN  116  27.01 +/- 0.81   0.001% *  1.5887% (0.65   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN  116  22.57 +/- 1.55   0.002% *  0.3789% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 573 (4.01, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 7.02, residual support = 123.6:
      O   HA    GLN  116 - HN    GLN  116   2.76 +/- 0.04  99.996% * 99.5202% (1.00  10.0   7.02 123.65) = 100.000%  kept
          HA    VAL   70 - HN    GLN  116  19.00 +/- 0.96   0.001% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLN  116  18.38 +/- 1.28   0.001% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN  116  20.98 +/- 2.10   0.001% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    GLN  116  19.71 +/- 1.37   0.001% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN  116  29.29 +/- 1.07   0.000% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN  116  26.77 +/- 1.27   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN  116  28.74 +/- 1.42   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN  116  30.05 +/- 0.96   0.000% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.953, support = 7.26, residual support = 200.6:
      O   HA    LEU  115 - HN    LEU  115   2.79 +/- 0.03  81.686% * 60.5049% (1.00  10.0   7.60 227.54) =  87.317%  kept
      O   HA    GLU- 114 - HN    LEU  115   3.58 +/- 0.05  18.301% * 39.2280% (0.65  10.0   4.87  15.24) =  12.683%  kept
          HA    ARG+  54 - HN    LEU  115  12.93 +/- 1.31   0.011% *  0.0392% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU  115  17.93 +/- 0.54   0.001% *  0.0319% (0.53   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU  115  22.93 +/- 0.87   0.000% *  0.0486% (0.80   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU  115  24.76 +/- 0.94   0.000% *  0.0574% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU  115  25.54 +/- 1.27   0.000% *  0.0606% (1.00   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU  115  24.61 +/- 1.58   0.000% *  0.0106% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU  115  27.80 +/- 1.46   0.000% *  0.0187% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 3.54, residual support = 15.0:
      O   HA    SER  117 - HN    SER  117   2.77 +/- 0.04  99.989% * 99.4282% (0.38  10.0   3.54  15.05) = 100.000%  kept
          HA    ASP-  62 - HN    SER  117  13.00 +/- 0.95   0.010% *  0.2506% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    SER  117  27.88 +/- 1.65   0.000% *  0.2025% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    SER  117  29.27 +/- 1.53   0.000% *  0.1188% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 576 (7.91, 7.43, 118.69 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.52, residual support = 54.9:
        T HN    ILE  119 - HN    ALA  120   2.64 +/- 0.11  99.999% * 99.2864% (0.83 10.00   5.52  54.93) = 100.000%  kept
        T HN    CYS   21 - HN    ALA  120  23.03 +/- 1.32   0.000% *  0.4963% (0.41 10.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    ALA  120  24.07 +/- 1.03   0.000% *  0.1105% (0.92  1.00   0.02   0.02) =   0.000%
          HN    SER   37 - HN    ALA  120  24.68 +/- 2.16   0.000% *  0.1068% (0.89  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 577 (7.23, 7.51, 116.39 ppm):
    4 chemical-shift based assignments, quality = 0.802, support = 6.7, residual support = 49.3:
          HN    HIS  122 - HN    LYS+ 121   2.72 +/- 0.02  98.859% * 99.4521% (0.80   6.70  49.31) =  99.999%  kept
          QE    PHE   59 - HN    LYS+ 121   6.00 +/- 0.77   1.122% *  0.0740% (0.20   0.02   0.02) =   0.001%
          HN    PHE   59 - HN    LYS+ 121  11.69 +/- 1.12   0.019% *  0.1799% (0.49   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LYS+ 121  21.25 +/- 3.26   0.001% *  0.2940% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 578 (7.47, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.257, support = 5.91, residual support = 38.7:
          HN    LEU  123 - HN    HIS  122   2.14 +/- 0.08  99.881% * 99.5830% (0.26   5.91  38.70) = 100.000%  kept
          HN    ALA  124 - HN    HIS  122   6.58 +/- 0.08   0.118% *  0.1156% (0.09   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    HIS  122  20.60 +/- 2.09   0.000% *  0.1582% (0.12   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HN    HIS  122  24.70 +/- 3.12   0.000% *  0.1431% (0.11   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 5.91, residual support = 38.7:
          HN    HIS  122 - HN    LEU  123   2.14 +/- 0.08  99.934% * 99.1405% (0.87   5.91  38.70) = 100.000%  kept
          QE    PHE   59 - HN    LEU  123   7.68 +/- 0.85   0.064% *  0.2034% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LEU  123  12.79 +/- 1.02   0.002% *  0.3466% (0.90   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LEU  123  22.85 +/- 3.40   0.000% *  0.3095% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 580 (4.38, 7.45, 128.80 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 4.2, residual support = 12.8:
      O   HA    LEU  123 - HN    ALA  124   2.29 +/- 0.01  99.993% * 99.5133% (1.00  10.0   4.20  12.82) = 100.000%  kept
          HA    LYS+  99 - HN    ALA  124  16.58 +/- 3.93   0.002% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA  124  15.82 +/- 4.26   0.003% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ALA  124  18.24 +/- 1.46   0.000% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ALA  124  16.93 +/- 0.78   0.001% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ALA  124  16.24 +/- 1.57   0.001% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA  124  22.75 +/- 4.47   0.000% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA  124  18.59 +/- 3.41   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA  124  24.00 +/- 3.65   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 581 (4.11, 7.45, 128.80 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 1.83, residual support = 9.31:
      O   HA    ALA  124 - HN    ALA  124   2.70 +/- 0.22  99.993% * 99.5777% (1.00  10.0   1.83   9.31) = 100.000%  kept
          HA    LEU  115 - HN    ALA  124  14.75 +/- 0.49   0.004% *  0.0489% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA  124  22.94 +/- 2.55   0.001% *  0.1053% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA  124  20.63 +/- 4.36   0.001% *  0.0337% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA  124  25.52 +/- 4.74   0.000% *  0.0749% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA  124  21.69 +/- 3.72   0.001% *  0.0191% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA  124  27.36 +/- 3.53   0.000% *  0.0531% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA  124  33.69 +/- 2.58   0.000% *  0.0873% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 4.78, residual support = 38.7:
      O   HA    HIS  122 - HN    LEU  123   3.39 +/- 0.07  99.983% * 99.8702% (1.00  10.0   4.78  38.70) = 100.000%  kept
          HA    VAL   41 - HN    LEU  123  16.03 +/- 2.87   0.014% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    LEU  123  20.35 +/- 1.08   0.002% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LEU  123  22.58 +/- 1.34   0.001% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 583 (4.38, 7.46, 121.46 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 6.26, residual support = 202.9:
      O   HA    LEU  123 - HN    LEU  123   2.83 +/- 0.05  99.954% * 99.5133% (1.00  10.0   6.26 202.92) = 100.000%  kept
          HA    LYS+  99 - HN    LEU  123  14.73 +/- 3.09   0.009% *  0.0894% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU  123  15.12 +/- 1.54   0.006% *  0.0989% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    LEU  123  14.27 +/- 3.37   0.012% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LEU  123  13.34 +/- 0.60   0.009% *  0.0565% (0.57   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU  123  14.21 +/- 1.26   0.007% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    LEU  123  21.62 +/- 3.39   0.001% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU  123  18.84 +/- 2.39   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU  123  24.77 +/- 2.62   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 584 (6.81, 7.24, 114.00 ppm):
    5 chemical-shift based assignments, quality = 0.109, support = 6.52, residual support = 72.5:
          HD2   HIS  122 - HN    HIS  122   3.05 +/- 0.49  99.756% * 97.1494% (0.11   6.52  72.54) =  99.999%  kept
          HE22  GLN  116 - HN    HIS  122   9.08 +/- 1.35   0.242% *  0.3293% (0.12   0.02   0.02) =   0.001%
          HE22  GLN   17 - HN    HIS  122  21.79 +/- 1.83   0.001% *  0.9462% (0.35   0.02   0.02) =   0.000%
          HE22  GLN   90 - HN    HIS  122  29.35 +/- 1.82   0.000% *  0.7377% (0.27   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    HIS  122  29.38 +/- 2.49   0.000% *  0.8374% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 5.21, residual support = 72.5:
      O   HA    HIS  122 - HN    HIS  122   2.92 +/- 0.01  99.989% * 99.8131% (0.30  10.0   5.21  72.54) = 100.000%  kept
          HA    VAL   41 - HN    HIS  122  14.72 +/- 2.54   0.009% *  0.1192% (0.35   1.0   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    HIS  122  18.48 +/- 1.00   0.002% *  0.0677% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 588 (3.95, 7.51, 116.39 ppm):
    12 chemical-shift based assignments, quality = 0.56, support = 5.58, residual support = 234.8:
      O   HA    LYS+ 121 - HN    LYS+ 121   2.76 +/- 0.01  80.819% * 38.4533% (0.49  10.0   6.30 315.24) =  74.348%  kept
      O   HA    ALA  120 - HN    LYS+ 121   3.56 +/- 0.02  17.525% * 61.1842% (0.77  10.0   3.48   1.49) =  25.651%  kept
          QB    SER  117 - HN    LYS+ 121   5.43 +/- 0.50   1.648% *  0.0176% (0.22   1.0   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    LYS+ 121  15.00 +/- 1.67   0.004% *  0.0569% (0.72   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+ 121  15.94 +/- 0.71   0.002% *  0.0435% (0.55   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LYS+ 121  18.84 +/- 1.90   0.001% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+ 121  22.85 +/- 2.64   0.001% *  0.0334% (0.42   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+ 121  21.34 +/- 1.99   0.001% *  0.0196% (0.25   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+ 121  23.91 +/- 1.73   0.000% *  0.0508% (0.64   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+ 121  26.41 +/- 1.39   0.000% *  0.0600% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+ 121  25.39 +/- 2.20   0.000% *  0.0111% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+ 121  26.47 +/- 1.25   0.000% *  0.0098% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 589 (3.96, 7.43, 118.69 ppm):
    13 chemical-shift based assignments, quality = 0.739, support = 3.61, residual support = 14.1:
      O   HA    ALA  120 - HN    ALA  120   2.79 +/- 0.04  94.950% * 99.2369% (0.74  10.0   3.61  14.07) =  99.998%  kept
          HA    LYS+ 121 - HN    ALA  120   5.14 +/- 0.11   2.463% *  0.0465% (0.35   1.0   0.02   1.49) =   0.001%
          QB    SER  117 - HN    ALA  120   5.11 +/- 0.17   2.575% *  0.0168% (0.12   1.0   0.02   5.51) =   0.000%
          HA    LYS+  65 - HN    ALA  120  14.36 +/- 1.43   0.006% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ALA  120  18.56 +/- 1.51   0.001% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA  120  16.19 +/- 0.69   0.003% *  0.0556% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA  120  20.40 +/- 1.63   0.001% *  0.0652% (0.49   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA  120  21.72 +/- 2.01   0.001% *  0.0383% (0.28   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA  120  23.44 +/- 1.57   0.000% *  0.0702% (0.52   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    ALA  120  26.91 +/- 1.07   0.000% *  0.1237% (0.92   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA  120  26.98 +/- 1.75   0.000% *  0.0423% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA  120  26.94 +/- 0.99   0.000% *  0.0383% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA  120  24.43 +/- 1.78   0.000% *  0.0191% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 591 (2.52, 6.83, 111.00 ppm):
    5 chemical-shift based assignments, quality = 0.321, support = 3.49, residual support = 123.6:
      O   HG2   GLN  116 - HE22  GLN  116   3.47 +/- 0.50  67.384% * 37.6518% (0.25  10.0   3.54 123.65) =  55.638%  kept
      O   HG3   GLN  116 - HE22  GLN  116   3.93 +/- 0.26  32.587% * 62.0774% (0.41  10.0   3.43 123.65) =  44.362%  kept
          HB3   PHE   95 - HE22  GLN  116  13.19 +/- 1.41   0.029% *  0.0466% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   TRP   87 - HE22  GLN  116  24.85 +/- 1.32   0.001% *  0.0735% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HE22  GLN  116  34.11 +/- 1.72   0.000% *  0.1507% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 592 (1.67, 7.45, 128.80 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 4.29, residual support = 12.8:
          HB2   LEU  123 - HN    ALA  124   4.16 +/- 0.24  99.096% * 96.2875% (0.76   4.29  12.82) =  99.996%  kept
          HB2   LYS+ 121 - HN    ALA  124   9.66 +/- 0.16   0.656% *  0.4260% (0.73   0.02   0.02) =   0.003%
          QD    LYS+  65 - HN    ALA  124  13.15 +/- 2.11   0.172% *  0.4484% (0.76   0.02   0.02) =   0.001%
          QD    LYS+  38 - HN    ALA  124  17.84 +/- 4.42   0.034% *  0.5550% (0.95   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ALA  124  19.24 +/- 2.97   0.015% *  0.5550% (0.95   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA  124  23.30 +/- 1.91   0.004% *  0.4698% (0.80   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA  124  22.09 +/- 1.37   0.005% *  0.2856% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    ALA  124  22.01 +/- 3.17   0.007% *  0.1463% (0.25   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ALA  124  21.56 +/- 2.54   0.007% *  0.1161% (0.20   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    ALA  124  24.71 +/- 1.34   0.003% *  0.2202% (0.38   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA  124  29.44 +/- 2.86   0.001% *  0.4901% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.16 A, kept.
 
    Peak 593 (1.36, 7.45, 128.80 ppm):
    16 chemical-shift based assignments, quality = 0.647, support = 1.83, residual support = 9.31:
      O   QB    ALA  124 - HN    ALA  124   2.25 +/- 0.30  99.982% * 98.5673% (0.65  10.0   1.83   9.31) = 100.000%  kept
          HB2   LEU   63 - HN    ALA  124  12.44 +/- 1.88   0.007% *  0.0625% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA  124  14.51 +/- 2.69   0.004% *  0.0943% (0.57   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA  124  15.86 +/- 3.36   0.003% *  0.0943% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA  124  17.73 +/- 1.82   0.001% *  0.1444% (0.87   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA  124  19.07 +/- 3.10   0.001% *  0.1273% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA  124  19.27 +/- 1.45   0.000% *  0.1273% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA  124  21.17 +/- 3.34   0.000% *  0.1144% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA  124  20.00 +/- 2.66   0.000% *  0.0811% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA  124  21.58 +/- 1.74   0.000% *  0.1493% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA  124  21.68 +/- 3.33   0.000% *  0.1077% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA  124  23.99 +/- 4.43   0.000% *  0.0811% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA  124  26.85 +/- 1.82   0.000% *  0.1444% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA  124  22.27 +/- 3.44   0.000% *  0.0292% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA  124  25.63 +/- 3.72   0.000% *  0.0292% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA  124  30.32 +/- 2.99   0.000% *  0.0463% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 0.982, support = 3.54, residual support = 23.5:
          HA    ALA  120 - HN    LEU  123   2.72 +/- 0.11  89.285% * 64.6075% (0.99   3.62  24.82) =  94.207%  kept
          HA    LYS+ 121 - HN    LEU  123   3.91 +/- 0.10  10.615% * 33.4159% (0.84   2.22   2.32) =   5.793%  kept
          QB    SER  117 - HN    LEU  123   8.66 +/- 0.39   0.088% *  0.1755% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    LEU  123  13.38 +/- 2.08   0.008% *  0.2477% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LEU  123  16.96 +/- 2.18   0.002% *  0.2755% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LEU  123  18.43 +/- 0.87   0.001% *  0.3233% (0.90   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU  123  24.69 +/- 2.67   0.000% *  0.2755% (0.76   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU  123  25.39 +/- 1.44   0.000% *  0.3479% (0.97   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LEU  123  28.25 +/- 1.71   0.000% *  0.2755% (0.76   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU  123  23.46 +/- 1.90   0.000% *  0.0556% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 0.989, support = 5.22, residual support = 38.3:
          HB3   HIS  122 - HN    LEU  123   3.76 +/- 0.34  94.627% * 83.4899% (0.99   5.27  38.70) =  98.910%  kept
          QE    LYS+ 121 - HN    LEU  123   6.58 +/- 0.87   5.369% * 16.2222% (0.76   1.33   2.32) =   1.090%  kept
          HG2   GLN   30 - HN    LEU  123  23.22 +/- 2.58   0.002% *  0.0889% (0.28   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HN    LEU  123  29.45 +/- 1.86   0.001% *  0.1557% (0.49   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LEU  123  27.63 +/- 2.64   0.001% *  0.0433% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (1.85, 7.46, 121.46 ppm):
    14 chemical-shift based assignments, quality = 0.764, support = 5.82, residual support = 202.9:
          HG    LEU  123 - HN    LEU  123   3.53 +/- 0.24  94.148% * 96.8056% (0.76   5.82 202.92) =  99.988%  kept
          HG3   PRO   68 - HN    LEU  123  10.83 +/- 3.73   1.180% *  0.3775% (0.87   0.02   0.02) =   0.005%
          QB    LYS+  66 - HN    LEU  123   7.08 +/- 2.87   3.690% *  0.0861% (0.20   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HN    LEU  123   8.78 +/- 2.03   0.855% *  0.3325% (0.76   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    LEU  123  12.69 +/- 1.31   0.058% *  0.1951% (0.45   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU  123  16.63 +/- 2.17   0.012% *  0.3635% (0.84   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU  123  22.00 +/- 2.96   0.008% *  0.3484% (0.80   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU  123  16.89 +/- 2.25   0.011% *  0.2118% (0.49   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU  123  16.73 +/- 2.91   0.013% *  0.1484% (0.34   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU  123  15.56 +/- 1.74   0.018% *  0.0589% (0.14   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU  123  21.08 +/- 2.78   0.003% *  0.2815% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU  123  21.39 +/- 1.95   0.002% *  0.3325% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU  123  28.55 +/- 1.10   0.000% *  0.2464% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU  123  29.15 +/- 1.83   0.000% *  0.2118% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.11 A, kept.
 
    Peak 597 (1.67, 7.46, 121.46 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 6.22, residual support = 202.9:
      O   HB2   LEU  123 - HN    LEU  123   2.26 +/- 0.26  99.062% * 99.1788% (0.76  10.0   6.22 202.92) =  99.999%  kept
          HB2   LYS+ 121 - HN    LEU  123   5.13 +/- 0.08   0.928% *  0.0942% (0.73   1.0   0.02   2.32) =   0.001%
          QD    LYS+  65 - HN    LEU  123  13.22 +/- 1.46   0.005% *  0.0992% (0.76   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU  123  17.49 +/- 3.44   0.001% *  0.1228% (0.95   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU  123  16.77 +/- 2.58   0.001% *  0.1228% (0.95   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU  123  19.65 +/- 1.77   0.000% *  0.1039% (0.80   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU  123  18.05 +/- 1.55   0.001% *  0.0632% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    LEU  123  19.83 +/- 2.38   0.000% *  0.0324% (0.25   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LEU  123  19.21 +/- 1.88   0.000% *  0.0257% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU  123  20.71 +/- 1.28   0.000% *  0.0487% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LEU  123  26.34 +/- 2.45   0.000% *  0.1084% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.01 A, kept.
 
    Peak 598 (0.85, 7.46, 121.46 ppm):
    7 chemical-shift based assignments, quality = 0.893, support = 6.69, residual support = 202.9:
          QD1   LEU  123 - HN    LEU  123   2.24 +/- 0.39  96.254% * 85.1603% (0.90   6.70 202.92) =  99.431%  kept
          QD2   LEU  123 - HN    LEU  123   4.15 +/- 0.12   3.370% * 13.9052% (0.15   6.36 202.92) =   0.568%  kept
          QG1   VAL   70 - HN    LEU  123   8.95 +/- 2.71   0.221% *  0.1948% (0.69   0.02   0.02) =   0.001%
          HB3   LEU  104 - HN    LEU  123  10.40 +/- 2.84   0.053% *  0.2811% (0.99   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LEU  123  14.74 +/- 3.38   0.019% *  0.2543% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    LEU  123   9.29 +/- 2.14   0.081% *  0.0438% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    LEU  123  15.47 +/- 1.55   0.002% *  0.1606% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 599 (3.45, 7.46, 121.46 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 38.7:
          HB2   HIS  122 - HN    LEU  123   4.12 +/- 0.41  99.923% * 99.3237% (1.00   5.27  38.70) = 100.000%  kept
          HA    LYS+ 112 - HN    LEU  123  14.28 +/- 0.79   0.070% *  0.3381% (0.90   0.02   0.02) =   0.000%
          HB    THR   46 - HN    LEU  123  20.48 +/- 1.33   0.008% *  0.3381% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 601 (3.96, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.247, support = 6.4, residual support = 33.0:
      O   HA    LYS+ 121 - HN    HIS  122   3.49 +/- 0.01  48.645% * 65.9899% (0.20  10.0   6.59  49.31) =  65.426%  kept
          HA    ALA  120 - HN    HIS  122   3.47 +/- 0.08  50.874% * 33.3440% (0.33   1.0   6.05   2.05) =  34.574%  kept
          QB    SER  117 - HN    HIS  122   7.70 +/- 0.40   0.445% *  0.0291% (0.09   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    HIS  122  13.13 +/- 1.96   0.022% *  0.1076% (0.33   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    HIS  122  16.74 +/- 2.14   0.005% *  0.1125% (0.34   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    HIS  122  16.43 +/- 0.84   0.005% *  0.0754% (0.23   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    HIS  122  23.19 +/- 2.74   0.001% *  0.0567% (0.17   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    HIS  122  21.82 +/- 2.00   0.001% *  0.0398% (0.12   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    HIS  122  23.87 +/- 1.47   0.001% *  0.0891% (0.27   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    HIS  122  26.50 +/- 1.69   0.000% *  0.1125% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    HIS  122  24.03 +/- 2.68   0.001% *  0.0231% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    HIS  122  26.91 +/- 1.45   0.000% *  0.0204% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 602 (3.70, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.263, support = 4.11, residual support = 12.7:
          HA    ILE  119 - HN    HIS  122   3.70 +/- 0.17  86.864% * 52.2385% (0.27   4.05  13.80) =  88.075%  kept
          HA    THR  118 - HN    HIS  122   5.16 +/- 0.27  13.074% * 46.9890% (0.21   4.59   4.25) =  11.925%  kept
          HD3   PRO   58 - HN    HIS  122  13.58 +/- 1.39   0.045% *  0.0939% (0.10   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    HIS  122  16.91 +/- 1.45   0.011% *  0.1043% (0.11   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    HIS  122  21.52 +/- 1.57   0.003% *  0.1777% (0.19   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    HIS  122  26.43 +/- 2.53   0.001% *  0.2321% (0.24   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    HIS  122  24.88 +/- 1.74   0.001% *  0.1644% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 603 (3.47, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.109, support = 5.94, residual support = 72.5:
      O   HB2   HIS  122 - HN    HIS  122   3.38 +/- 0.55  97.868% * 99.5910% (0.11  10.0   5.94  72.54) =  99.999%  kept
          HA    LEU   63 - HN    HIS  122   7.42 +/- 2.12   2.090% *  0.0565% (0.06   1.0   0.02   0.02) =   0.001%
          HA    LYS+ 112 - HN    HIS  122  13.04 +/- 0.71   0.041% *  0.1827% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    HIS  122  27.67 +/- 1.97   0.000% *  0.1698% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 6.02, residual support = 72.5:
      O   HB3   HIS  122 - HN    HIS  122   2.76 +/- 0.42  97.811% * 99.8455% (0.33  10.0   6.02  72.54) =  99.999%  kept
          QE    LYS+ 121 - HN    HIS  122   5.81 +/- 0.74   2.188% *  0.0656% (0.21   1.0   0.02  49.31) =   0.001%
          HG2   GLN   30 - HN    HIS  122  21.94 +/- 2.38   0.001% *  0.0189% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HN    HIS  122  27.73 +/- 1.83   0.000% *  0.0700% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.04 A, kept.
 
    Peak 605 (1.66, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.314, support = 7.03, residual support = 48.0:
          HB2   LYS+ 121 - HN    HIS  122   3.45 +/- 0.17  71.950% * 71.8767% (0.33   7.28  49.31) =  87.264%  kept
          HB2   LEU  123 - HN    HIS  122   4.09 +/- 0.34  27.952% * 27.0031% (0.17   5.31  38.70) =  12.736%  kept
          QD    LYS+  65 - HN    HIS  122  13.07 +/- 1.34   0.032% *  0.2015% (0.34   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    HIS  122  15.71 +/- 2.33   0.012% *  0.1516% (0.26   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    HIS  122  17.11 +/- 3.01   0.008% *  0.2070% (0.35   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    HIS  122  13.93 +/- 1.08   0.020% *  0.0366% (0.06   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    HIS  122  17.92 +/- 1.69   0.005% *  0.1099% (0.19   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    HIS  122  17.70 +/- 1.79   0.005% *  0.0858% (0.15   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    HIS  122  16.65 +/- 1.74   0.007% *  0.0521% (0.09   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    HIS  122  17.32 +/- 2.08   0.006% *  0.0322% (0.05   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    HIS  122  24.48 +/- 2.40   0.001% *  0.2070% (0.35   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    HIS  122  18.85 +/- 1.20   0.003% *  0.0366% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 0.325, support = 6.5, residual support = 49.3:
          HB3   LYS+ 121 - HN    HIS  122   3.76 +/- 0.22  76.772% * 67.9227% (0.35   6.44  49.31) =  89.210%  kept
          HD2   LYS+ 121 - HN    HIS  122   4.90 +/- 0.57  20.257% * 31.1088% (0.15   7.03  49.31) =  10.781%  kept
          QD    LYS+  66 - HN    HIS  122   8.03 +/- 2.77   2.632% *  0.1724% (0.28   0.02   0.02) =   0.008%
          HG    LEU  104 - HN    HIS  122  11.02 +/- 2.78   0.251% *  0.2110% (0.35   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    HIS  122  14.49 +/- 1.61   0.030% *  0.1988% (0.33   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    HIS  122  13.61 +/- 1.84   0.044% *  0.0734% (0.12   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    HIS  122  18.03 +/- 1.77   0.007% *  0.1931% (0.32   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    HIS  122  20.10 +/- 1.83   0.004% *  0.0599% (0.10   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    HIS  122  22.27 +/- 2.84   0.002% *  0.0599% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.06 A, kept.
 
    Peak 607 (0.86, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.307, support = 6.41, residual support = 38.7:
          QD1   LEU  123 - HN    HIS  122   3.24 +/- 0.48  95.733% * 98.5105% (0.31   6.41  38.70) =  99.988%  kept
          QG1   VAL   70 - HN    HIS  122   8.43 +/- 2.38   1.090% *  0.3511% (0.35   0.02   0.02) =   0.004%
          HB3   LEU   63 - HN    HIS  122   8.06 +/- 2.16   1.426% *  0.2292% (0.23   0.02   0.02) =   0.003%
          QD1   LEU   71 - HN    HIS  122  13.90 +/- 3.10   0.848% *  0.3073% (0.31   0.02   0.02) =   0.003%
          HB3   LEU  104 - HN    HIS  122   9.04 +/- 2.59   0.856% *  0.1864% (0.19   0.02   0.02) =   0.002%
          QG1   VAL   18 - HN    HIS  122  14.40 +/- 1.43   0.024% *  0.3535% (0.35   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    HIS  122  13.96 +/- 0.75   0.023% *  0.0620% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 608 (3.70, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.525, support = 2.64, residual support = 7.37:
          HA    THR  118 - HN    LYS+ 121   3.22 +/- 0.22  78.952% * 36.9458% (0.49   2.40   9.74) =  69.161%  kept
          HA    ILE  119 - HN    LYS+ 121   4.06 +/- 0.13  21.015% * 61.8926% (0.61   3.19   2.06) =  30.839%  kept
          HD3   PRO   58 - HN    LYS+ 121  13.53 +/- 1.30   0.020% *  0.1412% (0.22   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    LYS+ 121  15.38 +/- 1.85   0.011% *  0.1568% (0.25   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    LYS+ 121  22.21 +/- 1.38   0.001% *  0.2673% (0.42   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    LYS+ 121  26.09 +/- 2.53   0.001% *  0.3490% (0.55   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    LYS+ 121  24.79 +/- 1.47   0.000% *  0.2473% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 6.81, residual support = 315.2:
      O   HB2   LYS+ 121 - HN    LYS+ 121   2.17 +/- 0.23  99.076% * 99.3852% (0.76  10.0   6.81 315.24) = 100.000%  kept
          HB2   LEU  123 - HN    LYS+ 121   4.92 +/- 0.37   0.916% *  0.0511% (0.39   1.0   0.02   2.32) =   0.000%
          QD    LYS+  65 - HN    LYS+ 121  14.51 +/- 1.26   0.002% *  0.1014% (0.77   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+ 121  15.74 +/- 2.25   0.001% *  0.0763% (0.58   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LYS+ 121  18.46 +/- 2.68   0.000% *  0.1041% (0.79   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+ 121  14.76 +/- 1.73   0.001% *  0.0262% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+ 121  17.32 +/- 1.74   0.001% *  0.0553% (0.42   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    LYS+ 121  14.16 +/- 1.06   0.002% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    LYS+ 121  15.35 +/- 2.06   0.001% *  0.0162% (0.12   1.0   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LYS+ 121  18.60 +/- 1.66   0.000% *  0.0432% (0.33   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+ 121  17.93 +/- 1.43   0.000% *  0.0184% (0.14   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LYS+ 121  24.83 +/- 2.13   0.000% *  0.1041% (0.79   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 610 (1.50, 7.51, 116.39 ppm):
    8 chemical-shift based assignments, quality = 0.567, support = 5.27, residual support = 259.4:
          HD2   LYS+ 121 - HN    LYS+ 121   3.08 +/- 1.00  49.283% * 81.3853% (0.64   5.67 315.24) =  82.194%  kept
          QB    ALA  120 - HN    LYS+ 121   2.86 +/- 0.07  50.539% * 17.1927% (0.22   3.45   1.49) =  17.806%  kept
          QD    LYS+  66 - HN    LYS+ 121   9.62 +/- 2.56   0.090% *  0.1475% (0.33   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+ 121   8.81 +/- 0.81   0.076% *  0.0997% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LYS+ 121  13.26 +/- 2.67   0.008% *  0.1746% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 121  15.18 +/- 1.62   0.003% *  0.3112% (0.70   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+ 121  20.01 +/- 1.36   0.001% *  0.3579% (0.80   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 121  21.30 +/- 1.52   0.000% *  0.3311% (0.74   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 611 (1.15, 7.51, 116.39 ppm):
    6 chemical-shift based assignments, quality = 0.774, support = 5.84, residual support = 315.2:
          HG2   LYS+ 121 - HN    LYS+ 121   3.86 +/- 0.31  93.863% * 99.0658% (0.77   5.84 315.24) =  99.992%  kept
          QG2   VAL  107 - HN    LYS+ 121   8.26 +/- 0.32   1.077% *  0.3484% (0.79   0.02   0.02) =   0.004%
          HG13  ILE  119 - HN    LYS+ 121   6.40 +/- 0.17   5.004% *  0.0696% (0.16   0.02   2.06) =   0.004%
          HG13  ILE  103 - HN    LYS+ 121  14.39 +/- 1.56   0.047% *  0.2274% (0.52   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    LYS+ 121  20.19 +/- 1.23   0.006% *  0.2274% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LYS+ 121  22.03 +/- 1.99   0.003% *  0.0616% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.07 A, kept.
 
    Peak 612 (0.85, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.714, support = 2.19, residual support = 2.32:
          QD1   LEU  123 - HN    LYS+ 121   4.43 +/- 0.06  86.220% * 90.0495% (0.72   2.20   2.32) =  99.210%  kept
          QD2   LEU  123 - HN    LYS+ 121   6.53 +/- 0.10   8.468% *  6.9453% (0.12   0.99   2.32) =   0.752%  kept
          HB3   LEU  104 - HN    LYS+ 121   9.29 +/- 2.36   2.119% *  0.9039% (0.79   0.02   0.02) =   0.024%
          QG1   VAL   70 - HN    LYS+ 121  10.20 +/- 2.07   0.911% *  0.6264% (0.55   0.02   0.02) =   0.007%
          HB3   LEU   63 - HN    LYS+ 121   9.53 +/- 2.20   1.903% *  0.1407% (0.12   0.02   0.02) =   0.003%
          QD1   LEU   71 - HN    LYS+ 121  15.39 +/- 2.77   0.325% *  0.8179% (0.72   0.02   0.02) =   0.003%
          QG1   VAL   18 - HN    LYS+ 121  15.52 +/- 1.24   0.054% *  0.5163% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.23 A, kept.
 
    Peak 613 (2.04, 7.43, 118.69 ppm):
    11 chemical-shift based assignments, quality = 0.905, support = 5.04, residual support = 54.9:
          HB    ILE  119 - HN    ALA  120   2.69 +/- 0.12  99.959% * 97.4790% (0.90   5.04  54.93) = 100.000%  kept
          HB3   PRO   68 - HN    ALA  120  14.95 +/- 3.06   0.010% *  0.2395% (0.56   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ALA  120  11.88 +/- 1.31   0.018% *  0.1219% (0.28   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA  120  13.99 +/- 0.93   0.006% *  0.3298% (0.77   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA  120  16.06 +/- 1.99   0.003% *  0.1770% (0.41   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA  120  18.73 +/- 2.10   0.002% *  0.3017% (0.71   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ALA  120  21.24 +/- 2.10   0.001% *  0.3939% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ALA  120  23.24 +/- 1.62   0.000% *  0.3870% (0.90   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ALA  120  18.63 +/- 1.61   0.001% *  0.0984% (0.23   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ALA  120  24.82 +/- 1.68   0.000% *  0.3735% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ALA  120  19.96 +/- 1.39   0.001% *  0.0984% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 614 (1.49, 7.43, 118.69 ppm):
    9 chemical-shift based assignments, quality = 0.486, support = 4.0, residual support = 14.1:
      O   QB    ALA  120 - HN    ALA  120   2.07 +/- 0.06  98.822% * 99.1734% (0.49  10.0   4.00  14.07) =  99.999%  kept
          HD2   LYS+ 121 - HN    ALA  120   5.04 +/- 1.25   1.074% *  0.0992% (0.49   1.0   0.02   1.49) =   0.001%
          HG    LEU  115 - HN    ALA  120   7.32 +/- 0.70   0.065% *  0.0992% (0.49   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA  120   8.93 +/- 2.26   0.032% *  0.0373% (0.18   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA  120  14.23 +/- 1.61   0.001% *  0.1143% (0.56   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA  120  14.85 +/- 2.28   0.001% *  0.1441% (0.71   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  120  12.87 +/- 3.76   0.005% *  0.0291% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA  120  19.94 +/- 1.22   0.000% *  0.1740% (0.85   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA  120  21.85 +/- 1.20   0.000% *  0.1295% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (0.97, 7.43, 118.69 ppm):
    8 chemical-shift based assignments, quality = 0.486, support = 5.63, residual support = 54.9:
          QG2   ILE  119 - HN    ALA  120   3.09 +/- 0.18  99.628% * 96.6193% (0.49   5.63  54.93) =  99.998%  kept
          QD1   LEU   67 - HN    ALA  120  10.48 +/- 3.45   0.251% *  0.5220% (0.74   0.02   0.02) =   0.001%
          QD2   LEU   40 - HN    ALA  120  11.43 +/- 1.68   0.063% *  0.4982% (0.71   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    ALA  120  12.08 +/- 1.12   0.034% *  0.5846% (0.83   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ALA  120  16.55 +/- 2.17   0.012% *  0.5445% (0.77   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    ALA  120  14.84 +/- 1.13   0.009% *  0.4734% (0.67   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ALA  120  19.94 +/- 1.47   0.002% *  0.6291% (0.89   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ALA  120  20.92 +/- 1.61   0.001% *  0.1290% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 616 (3.96, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.249, support = 2.79, residual support = 15.0:
      O   QB    SER  117 - HN    SER  117   2.23 +/- 0.16  99.887% * 97.2780% (0.25  10.0   2.79  15.05) = 100.000%  kept
          HA    ALA  120 - HN    SER  117   7.59 +/- 0.33   0.074% *  0.3690% (0.95   1.0   0.02   5.51) =   0.000%
          HA    LYS+ 121 - HN    SER  117   8.63 +/- 0.51   0.035% *  0.2209% (0.57   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER  117  14.40 +/- 1.28   0.002% *  0.2524% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER  117  17.21 +/- 0.77   0.001% *  0.3601% (0.92   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER  117  17.93 +/- 1.81   0.001% *  0.1331% (0.34   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER  117  19.50 +/- 1.72   0.000% *  0.1899% (0.49   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER  117  21.56 +/- 1.13   0.000% *  0.3765% (0.97   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER  117  21.93 +/- 1.94   0.000% *  0.2981% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER  117  25.57 +/- 1.10   0.000% *  0.3765% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER  117  24.94 +/- 1.27   0.000% *  0.0683% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER  117  28.80 +/- 1.17   0.000% *  0.0772% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 617 (2.52, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.376, support = 5.48, residual support = 27.8:
          HG3   GLN  116 - HN    SER  117   4.95 +/- 0.71  40.830% * 69.1845% (0.49   5.36  27.81) =  61.814%  kept
          HG2   GLN  116 - HN    SER  117   4.62 +/- 0.72  58.433% * 29.8628% (0.20   5.69  27.81) =  38.184%  kept
          HB3   PHE   95 - HN    SER  117  10.44 +/- 0.99   0.727% *  0.1323% (0.25   0.02   0.02) =   0.002%
          HB3   TRP   87 - HN    SER  117  20.99 +/- 1.38   0.009% *  0.3003% (0.57   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    SER  117  32.20 +/- 1.57   0.001% *  0.5200% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.29 A, kept.
 
    Peak 618 (2.36, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 4.9, residual support = 27.8:
          HB2   GLN  116 - HN    SER  117   3.04 +/- 0.26  99.872% * 98.7748% (0.97   4.90  27.81) = 100.000%  kept
          HB2   PRO   58 - HN    SER  117  10.65 +/- 1.98   0.101% *  0.3035% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    SER  117  12.81 +/- 1.02   0.025% *  0.4179% (1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    SER  117  22.58 +/- 1.77   0.001% *  0.3748% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    SER  117  25.31 +/- 2.53   0.001% *  0.1290% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.03 A, kept.
 
    Peak 620 (2.53, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 7.38, residual support = 123.6:
          HG2   GLN  116 - HN    GLN  116   3.16 +/- 0.48  99.823% * 99.4331% (0.73   7.38 123.65) =  99.999%  kept
          HB3   PHE   95 - HN    GLN  116  10.03 +/- 0.88   0.177% *  0.2973% (0.80   0.02   0.02) =   0.001%
          HG2   GLU-  25 - HN    GLN  116  31.56 +/- 1.33   0.000% *  0.2696% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.02 A, kept.
 
    Peak 621 (2.37, 8.17, 116.99 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 7.63, residual support = 123.6:
      O   HB2   GLN  116 - HN    GLN  116   2.14 +/- 0.10  99.925% * 99.6757% (0.98  10.0   7.63 123.65) = 100.000%  kept
          HB2   PRO   58 - HN    GLN  116   8.55 +/- 1.95   0.073% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLN  116  13.57 +/- 0.80   0.002% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN  116  23.81 +/- 1.17   0.000% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN  116  24.10 +/- 2.31   0.000% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    GLN  116  27.80 +/- 1.05   0.000% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 622 (1.99, 8.17, 116.99 ppm):
    11 chemical-shift based assignments, quality = 0.796, support = 7.28, residual support = 98.3:
          HB2   LEU  115 - HN    GLN  116   3.10 +/- 0.50  89.956% * 68.8118% (0.80   7.41 102.11) =  96.244%  kept
          QB    GLU- 114 - HN    GLN  116   5.05 +/- 0.38   7.975% * 30.2761% (0.69   3.80   0.15) =   3.754%  kept
          HB2   LYS+ 111 - HN    GLN  116   6.56 +/- 1.03   1.737% *  0.0358% (0.15   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    GLN  116   9.14 +/- 1.88   0.311% *  0.1936% (0.84   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    GLN  116  15.76 +/- 1.61   0.009% *  0.0953% (0.41   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLN  116  17.93 +/- 2.54   0.004% *  0.1936% (0.84   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLN  116  21.47 +/- 1.20   0.001% *  0.1771% (0.76   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    GLN  116  17.82 +/- 1.77   0.004% *  0.0459% (0.20   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLN  116  20.60 +/- 1.75   0.002% *  0.0459% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLN  116  20.96 +/- 1.04   0.001% *  0.0459% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN  116  30.40 +/- 1.45   0.000% *  0.0791% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.05 A, kept.
 
    Peak 623 (1.46, 8.17, 116.99 ppm):
    10 chemical-shift based assignments, quality = 0.837, support = 8.36, residual support = 102.1:
          HG    LEU  115 - HN    GLN  116   3.57 +/- 1.06  61.058% * 43.1269% (0.73   8.49 102.11) =  56.197%  kept
          HB3   LEU  115 - HN    GLN  116   4.07 +/- 0.24  36.538% * 56.1671% (0.98   8.19 102.11) =  43.798%  kept
          QB    ALA  120 - HN    GLN  116   6.60 +/- 0.46   2.248% *  0.1016% (0.73   0.02   0.15) =   0.005%
          QG    LYS+  66 - HN    GLN  116  11.04 +/- 1.28   0.112% *  0.0525% (0.38   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    GLN  116  16.28 +/- 2.61   0.018% *  0.1400% (1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    GLN  116  17.01 +/- 1.11   0.007% *  0.1372% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN  116  16.75 +/- 1.70   0.010% *  0.0312% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    GLN  116  18.51 +/- 1.23   0.004% *  0.0681% (0.49   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    GLN  116  19.92 +/- 1.07   0.003% *  0.0792% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    GLN  116  22.15 +/- 2.19   0.002% *  0.0961% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 624 (0.45, 8.17, 116.99 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 7.61, residual support = 102.1:
          QD1   LEU  115 - HN    GLN  116   4.12 +/- 0.32  99.965% * 99.6305% (0.49   7.61 102.11) = 100.000%  kept
          QG1   VAL   75 - HN    GLN  116  16.69 +/- 1.42   0.035% *  0.3695% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 625 (0.58, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 0.566, support = 10.0, residual support = 102.1:
          QD2   LEU  115 - HN    GLN  116   2.34 +/- 0.47  99.816% * 98.5891% (0.57  10.00 102.11) =  99.999%  kept
          QD1   LEU   63 - HN    GLN  116   7.91 +/- 1.24   0.102% *  0.3124% (0.90   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    GLN  116   8.54 +/- 1.57   0.074% *  0.2910% (0.84   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    GLN  116  13.88 +/- 1.09   0.004% *  0.1075% (0.31   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    GLN  116  18.01 +/- 0.83   0.001% *  0.3124% (0.90   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    GLN  116  17.36 +/- 0.76   0.001% *  0.0969% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    GLN  116  16.35 +/- 0.95   0.002% *  0.0537% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    GLN  116  20.48 +/- 1.66   0.000% *  0.1833% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    GLN  116  21.15 +/- 2.12   0.000% *  0.0537% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 626 (1.03, 8.17, 116.99 ppm):
    4 chemical-shift based assignments, quality = 0.721, support = 1.48, residual support = 14.6:
          QD1   ILE  119 - HN    GLN  116   4.51 +/- 0.62  84.283% * 89.4269% (0.73   1.49  14.80) =  98.592%  kept
          HG3   LYS+ 112 - HN    GLN  116   6.45 +/- 0.78  14.373% *  7.3339% (0.38   0.24   0.02) =   1.379%  kept
          QG2   VAL  108 - HN    GLN  116   9.60 +/- 0.84   1.248% *  1.6484% (1.00   0.02   0.02) =   0.027%
          HB2   LEU  104 - HN    GLN  116  14.64 +/- 0.97   0.096% *  1.5908% (0.97   0.02   0.02) =   0.002%
    Distance limit 4.81 A violated in 0 structures by 0.05 A, kept.
 
    Peak 627 (3.45, 8.40, 122.87 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 0.75, residual support = 2.24:
          HA    LYS+ 112 - HN    LEU  115   3.39 +/- 0.32  99.926% * 94.6610% (0.90   0.75   2.24) =  99.998%  kept
          HB2   HIS  122 - HN    LEU  115  12.89 +/- 0.81   0.042% *  2.8147% (1.00   0.02   0.02) =   0.001%
          HB    THR   46 - HN    LEU  115  14.55 +/- 2.26   0.031% *  2.5243% (0.90   0.02   0.02) =   0.001%
    Distance limit 4.27 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 = 0.23, support = 5.16, residual support = 100.8:
          HB2   GLN  116 - HN    LEU  115   4.59 +/- 0.13  96.622% * 66.3919% (0.22   5.22 102.11) =  98.756%  kept
          HB2   PRO   58 - HN    LEU  115   9.55 +/- 1.77   2.543% * 31.6143% (0.80   0.69   0.02) =   1.238%  kept
          HG2   PRO   52 - HN    LEU  115  13.00 +/- 2.31   0.644% *  0.5123% (0.45   0.02   0.02) =   0.005%
          HB3   PHE   97 - HN    LEU  115  13.23 +/- 0.67   0.178% *  0.3898% (0.34   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    LEU  115  23.70 +/- 2.14   0.007% *  0.1763% (0.15   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    LEU  115  23.62 +/- 1.03   0.005% *  0.1763% (0.15   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    LEU  115  30.93 +/- 1.65   0.001% *  0.7392% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.32 A, kept.
 
    Peak 629 (1.99, 8.40, 122.87 ppm):
    11 chemical-shift based assignments, quality = 0.797, support = 7.28, residual support = 220.5:
      O   HB2   LEU  115 - HN    LEU  115   2.15 +/- 0.20  82.361% * 82.5669% (0.80  10.0   7.36 227.54) =  96.671%  kept
          QB    GLU- 114 - HN    LEU  115   3.15 +/- 0.42  13.749% * 17.0273% (0.69   1.0   4.81  15.24) =   3.328%  kept
          HB2   LYS+ 111 - HN    LEU  115   4.54 +/- 1.37   3.870% *  0.0159% (0.15   1.0   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    LEU  115   9.73 +/- 1.67   0.018% *  0.0861% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    LEU  115  16.63 +/- 1.90   0.000% *  0.0424% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LEU  115  19.19 +/- 2.34   0.000% *  0.0861% (0.84   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU  115  21.29 +/- 1.42   0.000% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU  115  17.74 +/- 1.72   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU  115  20.97 +/- 1.72   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU  115  21.66 +/- 1.18   0.000% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU  115  29.14 +/- 1.75   0.000% *  0.0352% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 630 (1.46, 8.40, 122.87 ppm):
    10 chemical-shift based assignments, quality = 0.96, support = 7.48, residual support = 227.5:
      O   HB3   LEU  115 - HN    LEU  115   3.01 +/- 0.39  76.322% * 77.8084% (0.98  10.0   7.47 227.54) =  92.072%  kept
          HG    LEU  115 - HN    LEU  115   4.00 +/- 0.59  23.463% * 21.7912% (0.73   1.0   7.56 227.54) =   7.927%  kept
          QB    ALA  120 - HN    LEU  115   8.31 +/- 0.31   0.185% *  0.0576% (0.73   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU  115  12.57 +/- 1.20   0.017% *  0.0298% (0.38   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU  115  17.22 +/- 2.81   0.004% *  0.0794% (1.00   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU  115  17.02 +/- 0.95   0.003% *  0.0778% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU  115  19.25 +/- 1.21   0.001% *  0.0449% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU  115  18.73 +/- 1.10   0.002% *  0.0386% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU  115  17.65 +/- 2.01   0.003% *  0.0177% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU  115  21.52 +/- 2.22   0.001% *  0.0545% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.01 A, kept.
 
    Peak 631 (1.14, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.527, support = 1.79, residual support = 7.95:
          QG2   VAL  107 - HN    LEU  115   3.33 +/- 0.55  89.138% * 61.1299% (0.53   1.81   7.95) =  98.101%  kept
          HG13  ILE  119 - HN    LEU  115   6.83 +/- 1.09   2.598% * 33.1848% (0.73   0.71   9.71) =   1.552%  kept
          HD3   LYS+ 112 - HN    LEU  115   6.37 +/- 1.27   8.181% *  2.3465% (0.15   0.24   2.24) =   0.346%
          HG2   LYS+ 121 - HN    LEU  115  11.56 +/- 0.86   0.069% *  0.9802% (0.76   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    LEU  115  19.32 +/- 1.70   0.003% *  1.2797% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LEU  115  15.98 +/- 1.06   0.009% *  0.1979% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LEU  115  24.29 +/- 0.92   0.001% *  0.8810% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.08 A, kept.
 
    Peak 632 (0.61, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 9.03, residual support = 227.5:
          QD2   LEU  115 - HN    LEU  115   3.49 +/- 0.64  98.706% * 98.8200% (0.65   9.03 227.54) =  99.999%  kept
          QD1   LEU   63 - HN    LEU  115   8.05 +/- 1.50   1.195% *  0.1044% (0.31   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    LEU  115  13.83 +/- 0.94   0.037% *  0.3034% (0.90   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU  115  14.01 +/- 1.07   0.040% *  0.1154% (0.34   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU  115  18.49 +/- 1.43   0.007% *  0.3200% (0.95   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU  115  19.29 +/- 1.84   0.005% *  0.2324% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU  115  17.33 +/- 0.91   0.010% *  0.1044% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 633 (0.45, 8.40, 122.87 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 7.37, residual support = 227.5:
          QD1   LEU  115 - HN    LEU  115   4.00 +/- 0.22  99.951% * 99.6804% (0.80   7.37 227.54) = 100.000%  kept
          QG1   VAL   75 - HN    LEU  115  15.32 +/- 1.60   0.049% *  0.3196% (0.95   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 0.549, support = 6.74, residual support = 138.2:
      O   HB    ILE  103 - HN    ILE  103   2.16 +/- 0.07  85.204% * 65.0418% (0.53  10.0   6.72 138.23) =  91.667%  kept
          HG12  ILE  103 - HN    ILE  103   3.00 +/- 0.34  14.713% * 34.2388% (0.80   1.0   6.92 138.23) =   8.333%  kept
          HB    VAL   41 - HN    ILE  103   8.53 +/- 1.27   0.033% *  0.0800% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ILE  103   8.08 +/- 0.62   0.036% *  0.0245% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE  103   9.52 +/- 0.22   0.012% *  0.0554% (0.45   1.0   0.02   2.31) =   0.000%
          HB3   PRO   52 - HN    ILE  103  23.64 +/- 3.57   0.000% *  0.1212% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE  103  15.79 +/- 0.79   0.001% *  0.0422% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    ILE  103  17.40 +/- 1.36   0.000% *  0.0554% (0.45   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ILE  103  19.83 +/- 2.08   0.000% *  0.1212% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE  103  19.58 +/- 2.53   0.000% *  0.0700% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    ILE  103  20.08 +/- 0.99   0.000% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE  103  22.53 +/- 2.49   0.000% *  0.0344% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ILE  103  26.51 +/- 3.17   0.000% *  0.0602% (0.49   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE  103  22.25 +/- 3.10   0.000% *  0.0275% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 635 (1.15, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.22, residual support = 138.2:
          HG13  ILE  103 - HN    ILE  103   3.96 +/- 0.23  99.557% * 98.5413% (0.65   6.22 138.23) =  99.999%  kept
          HG2   LYS+ 121 - HN    ILE  103  13.58 +/- 2.83   0.123% *  0.4730% (0.97   0.02   0.02) =   0.001%
          QG2   VAL  107 - HN    ILE  103  13.19 +/- 0.72   0.083% *  0.4858% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  103  11.65 +/- 1.40   0.216% *  0.0858% (0.18   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  103  19.39 +/- 1.19   0.008% *  0.3171% (0.65   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ILE  103  18.07 +/- 1.30   0.013% *  0.0970% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.11 A, kept.
 
    Peak 636 (0.98, 8.62, 122.05 ppm):
    8 chemical-shift based assignments, quality = 0.751, support = 6.0, residual support = 138.2:
          QG2   ILE  103 - HN    ILE  103   3.58 +/- 0.09  32.697% * 70.6118% (1.00   6.29 138.23) =  54.840%  kept
          QD1   ILE  103 - HN    ILE  103   3.05 +/- 0.73  66.826% * 28.4497% (0.45   5.65 138.23) =  45.157%  kept
          QD2   LEU   40 - HN    ILE  103   7.41 +/- 0.64   0.443% *  0.2166% (0.97   0.02   0.02) =   0.002%
          QD1   LEU   67 - HN    ILE  103  14.19 +/- 2.95   0.016% *  0.2200% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ILE  103  14.02 +/- 0.84   0.009% *  0.1271% (0.57   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ILE  103  16.83 +/- 2.01   0.004% *  0.0923% (0.41   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    ILE  103  15.97 +/- 1.18   0.004% *  0.0624% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ILE  103  21.02 +/- 1.21   0.001% *  0.2200% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 637 (1.55, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 7.44, residual support = 219.0:
          HG    LEU  104 - HN    LEU  104   3.06 +/- 0.48  96.880% * 97.6225% (0.45   7.44 219.06) =  99.987%  kept
          HG2   LYS+ 106 - HN    LEU  104   6.16 +/- 0.74   2.682% *  0.4019% (0.69   0.02   0.02) =   0.011%
          HB3   LYS+ 121 - HN    LEU  104   8.77 +/- 2.26   0.423% *  0.2623% (0.45   0.02   0.02) =   0.001%
          HG2   LYS+  33 - HN    LEU  104  17.17 +/- 1.40   0.004% *  0.5799% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    LEU  104  16.89 +/- 2.68   0.006% *  0.3313% (0.57   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LEU  104  17.78 +/- 1.33   0.004% *  0.3549% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    LEU  104  22.56 +/- 2.33   0.001% *  0.4472% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 638 (1.00, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.269, support = 7.09, residual support = 147.8:
      O   HB2   LEU  104 - HN    LEU  104   2.60 +/- 0.30  43.599% * 65.7740% (0.22  10.0   7.39 219.06) =  60.921%  kept
          QG2   ILE  103 - HN    LEU  104   2.48 +/- 0.42  55.005% * 33.4394% (0.34   1.0   6.64  36.61) =  39.075%  kept
          QD2   LEU   40 - HN    LEU  104   5.03 +/- 0.90   1.365% *  0.1438% (0.49   1.0   0.02   0.02) =   0.004%
          QD1   LEU   67 - HN    LEU  104  11.18 +/- 3.46   0.026% *  0.1325% (0.45   1.0   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    LEU  104  12.43 +/- 1.16   0.004% *  0.1438% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    LEU  104  15.51 +/- 1.71   0.001% *  0.2928% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU  104  18.55 +/- 1.01   0.000% *  0.0737% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 639 (0.72, 9.38, 128.74 ppm):
    5 chemical-shift based assignments, quality = 0.783, support = 7.44, residual support = 186.7:
          QD2   LEU  104 - HN    LEU  104   3.19 +/- 0.85  74.484% * 65.4131% (0.80   7.91 219.06) =  84.771%  kept
          QD1   LEU   98 - HN    LEU  104   4.26 +/- 0.67  25.486% * 34.3435% (0.69   4.84   6.70) =  15.229%  kept
          QD1   ILE   19 - HN    LEU  104  15.75 +/- 1.24   0.007% *  0.1336% (0.65   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU  104  15.58 +/- 1.69   0.011% *  0.0637% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LEU  104  14.70 +/- 1.01   0.012% *  0.0460% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.01 A, kept.
 
    Peak 640 (3.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.682, support = 7.13, residual support = 53.1:
          HB2   PHE   97 - HN    ASP- 105   2.27 +/- 0.43  95.313% * 79.1694% (0.69   7.16  53.46) =  98.813%  kept
          QE    LYS+ 106 - HN    ASP- 105   5.36 +/- 1.36   4.550% * 19.9235% (0.25   4.96  21.58) =   1.187%  kept
          QE    LYS+  99 - HN    ASP- 105   7.88 +/- 0.92   0.084% *  0.2888% (0.90   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ASP- 105   9.32 +/- 0.79   0.043% *  0.1324% (0.41   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ASP- 105  16.26 +/- 1.54   0.002% *  0.2339% (0.73   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ASP- 105  15.06 +/- 1.23   0.002% *  0.2083% (0.65   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ASP- 105  13.65 +/- 1.66   0.007% *  0.0436% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 5.14, residual support = 53.5:
          HB3   PHE   97 - HN    ASP- 105   3.08 +/- 0.72  99.836% * 98.5988% (0.90   5.14  53.46) =  99.999%  kept
          HB2   GLU- 100 - HN    ASP- 105  11.44 +/- 0.87   0.074% *  0.4281% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ASP- 105  16.77 +/- 2.59   0.066% *  0.1919% (0.45   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    ASP- 105  14.52 +/- 0.94   0.016% *  0.4197% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    ASP- 105  21.68 +/- 2.28   0.004% *  0.2424% (0.57   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    ASP- 105  18.25 +/- 0.85   0.005% *  0.1190% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 1 structures by 0.06 A, kept.
 
    Peak 642 (2.24, 7.80, 116.22 ppm):
    11 chemical-shift based assignments, quality = 0.801, support = 4.8, residual support = 42.8:
      O   HB2   ASP- 105 - HN    ASP- 105   3.63 +/- 0.23  99.572% * 99.3924% (0.80  10.0   4.80  42.75) = 100.000%  kept
          HG12  ILE  119 - HN    ASP- 105  10.52 +/- 1.18   0.226% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    ASP- 105  12.84 +/- 0.93   0.064% *  0.0604% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ASP- 105  12.68 +/- 1.18   0.064% *  0.0246% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ASP- 105  13.50 +/- 0.87   0.042% *  0.0345% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ASP- 105  18.17 +/- 1.02   0.007% *  0.1241% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP- 105  21.50 +/- 1.01   0.003% *  0.1217% (0.98   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP- 105  19.55 +/- 2.12   0.005% *  0.0423% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    ASP- 105  21.64 +/- 1.84   0.003% *  0.0703% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP- 105  17.70 +/- 2.29   0.011% *  0.0168% (0.14   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP- 105  20.89 +/- 1.73   0.003% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 643 (1.87, 7.80, 116.22 ppm):
    13 chemical-shift based assignments, quality = 0.766, support = 4.63, residual support = 42.6:
      O   HB3   ASP- 105 - HN    ASP- 105   2.69 +/- 0.18  96.962% * 77.0180% (0.76  10.0   4.63  42.75) =  99.329%  kept
          QB    LYS+ 106 - HN    ASP- 105   5.15 +/- 0.22   2.269% * 22.2228% (0.98   1.0   4.50  21.58) =   0.671%  kept
          HB    ILE  103 - HN    ASP- 105   6.26 +/- 0.38   0.740% *  0.0692% (0.69   1.0   0.02   2.31) =   0.001%
          HB    ILE   56 - HN    ASP- 105  15.11 +/- 1.89   0.008% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ASP- 105  15.00 +/- 2.66   0.007% *  0.0652% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP- 105  14.72 +/- 0.83   0.004% *  0.0732% (0.73   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP- 105  16.82 +/- 0.86   0.002% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP- 105  16.56 +/- 1.04   0.002% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP- 105  21.58 +/- 3.12   0.001% *  0.0732% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASP- 105  18.12 +/- 2.35   0.003% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASP- 105  16.84 +/- 0.75   0.002% *  0.0378% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP- 105  21.78 +/- 1.78   0.000% *  0.0930% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP- 105  22.78 +/- 2.17   0.000% *  0.0973% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 644 (1.55, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.492, support = 5.95, residual support = 37.7:
          HG    LEU  104 - HN    ASP- 105   4.32 +/- 0.40  68.122% * 50.8353% (0.45   6.41  41.48) =  81.322%  kept
          HG2   LYS+ 106 - HN    ASP- 105   5.64 +/- 0.39  16.530% * 47.9697% (0.69   3.95  21.58) =  18.620%  kept
          HB3   LYS+ 121 - HN    ASP- 105   6.46 +/- 2.28  15.237% *  0.1587% (0.45   0.02   0.02) =   0.057%
          HB3   LYS+ 111 - HN    ASP- 105  14.73 +/- 2.55   0.067% *  0.2004% (0.57   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ASP- 105  16.92 +/- 1.60   0.027% *  0.2147% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    ASP- 105  18.43 +/- 1.52   0.013% *  0.3508% (0.99   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    ASP- 105  22.89 +/- 2.07   0.004% *  0.2705% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 0.228, support = 6.19, residual support = 39.6:
          HB2   LEU  104 - HN    ASP- 105   2.16 +/- 0.26  90.521% * 63.8106% (0.22   6.39  41.48) =  95.142%  kept
          QG2   ILE  103 - HN    ASP- 105   3.46 +/- 0.30   8.716% * 33.8004% (0.34   2.21   2.31) =   4.852%  kept
          QD2   LEU   40 - HN    ASP- 105   5.33 +/- 0.77   0.700% *  0.4368% (0.49   0.02   0.02) =   0.005%
          QD1   LEU   67 - HN    ASP- 105  10.23 +/- 3.58   0.053% *  0.4023% (0.45   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    ASP- 105  10.40 +/- 1.17   0.009% *  0.4368% (0.49   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ASP- 105  15.59 +/- 1.69   0.001% *  0.8894% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ASP- 105  17.91 +/- 1.25   0.000% *  0.2237% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 646 (2.24, 8.97, 118.18 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 3.85, residual support = 21.6:
          HB2   ASP- 105 - HN    LYS+ 106   2.80 +/- 0.30  99.652% * 97.8384% (0.98   3.85  21.58) =  99.999%  kept
          HB2   MET   96 - HN    LYS+ 106   8.37 +/- 0.53   0.233% *  0.1600% (0.31   0.02   1.97) =   0.000%
          HG12  ILE  119 - HN    LYS+ 106   9.24 +/- 0.82   0.102% *  0.2131% (0.41   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    LYS+ 106  15.10 +/- 1.16   0.006% *  0.4648% (0.90   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    LYS+ 106  16.97 +/- 0.98   0.003% *  0.3961% (0.76   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LYS+ 106  21.41 +/- 1.70   0.001% *  0.4329% (0.84   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LYS+ 106  17.89 +/- 1.84   0.003% *  0.0800% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    LYS+ 106  24.06 +/- 0.75   0.000% *  0.4150% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.02 A, kept.
 
    Peak 647 (1.87, 8.97, 118.18 ppm):
    13 chemical-shift based assignments, quality = 0.968, support = 5.26, residual support = 129.4:
      O   QB    LYS+ 106 - HN    LYS+ 106   3.25 +/- 0.14  71.126% * 86.4619% (0.98  10.0   5.35 135.79) =  94.389%  kept
          HB3   ASP- 105 - HN    LYS+ 106   3.83 +/- 0.26  28.396% * 12.8736% (0.76   1.0   3.82  21.58) =   5.611%  kept
          HB    ILE  103 - HN    LYS+ 106   7.90 +/- 0.51   0.391% *  0.0606% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+ 106  12.87 +/- 1.43   0.026% *  0.0765% (0.87   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+ 106  19.63 +/- 3.11   0.016% *  0.0641% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+ 106  13.82 +/- 0.64   0.013% *  0.0331% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+ 106  16.85 +/- 2.48   0.019% *  0.0196% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+ 106  17.67 +/- 2.57   0.005% *  0.0571% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+ 106  19.61 +/- 1.36   0.002% *  0.0814% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+ 106  18.95 +/- 0.80   0.002% *  0.0641% (0.73   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+ 106  19.91 +/- 0.76   0.001% *  0.0765% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+ 106  19.21 +/- 0.72   0.002% *  0.0464% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+ 106  22.41 +/- 1.85   0.001% *  0.0851% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 650 (0.25, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 2.65, residual support = 2.89:
          QG2   THR  118 - HN    LYS+ 106   3.92 +/- 1.04 100.000% *100.0000% (0.53   2.65   2.89) = 100.000%  kept
    Distance limit 4.63 A violated in 2 structures by 0.18 A, kept.
 
    Peak 651 (3.20, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.31, residual support = 45.5:
          HB2   PHE   95 - HN    VAL  107   2.61 +/- 0.63 100.000% *100.0000% (1.00   2.31  45.52) = 100.000%  kept
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 652 (2.41, 9.57, 125.50 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 57.9:
      O   HB    VAL  107 - HN    VAL  107   2.43 +/- 0.31  99.922% * 99.7350% (0.99  10.0   3.33  57.91) = 100.000%  kept
          HB3   PHE   45 - HN    VAL  107   9.84 +/- 0.95   0.041% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    VAL  107  11.33 +/- 1.45   0.035% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    VAL  107  18.97 +/- 2.27   0.001% *  0.0378% (0.38   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    VAL  107  21.06 +/- 1.02   0.000% *  0.0691% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    VAL  107  23.57 +/- 1.10   0.000% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 653 (1.88, 9.57, 125.50 ppm):
    13 chemical-shift based assignments, quality = 0.526, support = 5.09, residual support = 25.0:
          QB    LYS+ 106 - HN    VAL  107   3.13 +/- 0.15  97.473% * 95.3017% (0.53   5.09  25.04) =  99.993%  kept
          HB3   ASP- 105 - HN    VAL  107   6.17 +/- 0.43   1.966% *  0.1775% (0.25   0.02   0.02) =   0.004%
          HB    ILE   56 - HN    VAL  107   9.58 +/- 1.22   0.171% *  0.6570% (0.92   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    VAL  107  13.96 +/- 2.42   0.200% *  0.5168% (0.73   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    VAL  107  10.59 +/- 0.66   0.072% *  0.6383% (0.90   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    VAL  107  10.31 +/- 0.77   0.089% *  0.1408% (0.20   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    VAL  107  17.83 +/- 0.80   0.003% *  0.6976% (0.98   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL  107  16.02 +/- 2.06   0.011% *  0.1585% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    VAL  107  16.81 +/- 0.93   0.005% *  0.2926% (0.41   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    VAL  107  20.29 +/- 0.85   0.001% *  0.7054% (0.99   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL  107  17.36 +/- 2.61   0.006% *  0.1246% (0.18   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    VAL  107  19.92 +/- 1.52   0.002% *  0.3464% (0.49   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    VAL  107  19.38 +/- 0.86   0.002% *  0.2428% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 654 (1.12, 9.57, 125.50 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.84, residual support = 57.9:
          QG1   VAL  107 - HN    VAL  107   3.04 +/- 0.41  99.614% * 90.6149% (0.20   3.84  57.91) =  99.992%  kept
          HG13  ILE  119 - HN    VAL  107   8.73 +/- 1.22   0.256% *  2.3621% (0.99   0.02   0.02) =   0.007%
          HG2   LYS+ 121 - HN    VAL  107  10.59 +/- 1.28   0.078% *  0.5942% (0.25   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    VAL  107  12.72 +/- 1.50   0.031% *  1.4455% (0.61   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  107  14.67 +/- 1.53   0.011% *  1.1600% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  107  17.26 +/- 0.83   0.004% *  2.3779% (1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    VAL  107  16.16 +/- 1.00   0.006% *  1.4455% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 655 (2.05, 9.14, 128.89 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 4.08, residual support = 62.1:
      O   HB    VAL  108 - HN    VAL  108   2.94 +/- 0.50  99.372% * 99.4150% (0.95  10.0   4.08  62.12) = 100.000%  kept
          HB2   PRO   93 - HN    VAL  108   9.89 +/- 1.81   0.279% *  0.0994% (0.95   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    VAL  108  10.86 +/- 0.91   0.078% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    VAL  108  12.68 +/- 2.13   0.229% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    VAL  108  16.03 +/- 1.92   0.010% *  0.1030% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    VAL  108  13.40 +/- 3.18   0.029% *  0.0184% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    VAL  108  21.43 +/- 1.01   0.001% *  0.0803% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    VAL  108  21.75 +/- 0.67   0.001% *  0.0722% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    VAL  108  23.41 +/- 1.38   0.001% *  0.0471% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    VAL  108  21.83 +/- 1.61   0.001% *  0.0162% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    VAL  108  27.55 +/- 1.73   0.000% *  0.0234% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    VAL  108  36.09 +/- 2.52   0.000% *  0.0262% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 656 (1.13, 9.14, 128.89 ppm):
    7 chemical-shift based assignments, quality = 0.278, support = 3.64, residual support = 15.3:
          QG2   VAL  107 - HN    VAL  108   3.37 +/- 0.27  99.581% * 92.9875% (0.28   3.64  15.34) =  99.995%  kept
          HG13  ILE  119 - HN    VAL  108  10.43 +/- 0.80   0.147% *  1.7394% (0.95   0.02   0.02) =   0.003%
          HG2   LYS+ 121 - HN    VAL  108  11.95 +/- 1.25   0.127% *  0.8950% (0.49   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HN    VAL  108  11.79 +/- 1.45   0.130% *  0.6272% (0.34   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    VAL  108  18.76 +/- 1.19   0.004% *  1.5950% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  108  16.73 +/- 1.68   0.009% *  0.4585% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  108  20.68 +/- 0.91   0.002% *  1.6974% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.05 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   3.96 +/- 0.23  99.581% * 95.2124% (0.25   4.10  15.34) =  99.994%  kept
          HG3   LYS+ 112 - HN    VAL  108  11.04 +/- 0.97   0.258% *  1.1292% (0.61   0.02   0.02) =   0.003%
          HG    LEU   63 - HN    VAL  108  12.19 +/- 1.33   0.146% *  1.7967% (0.97   0.02   0.02) =   0.003%
          QG2   VAL   24 - HN    VAL  108  18.23 +/- 1.72   0.015% *  1.8617% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.50 A, kept.
 
    Peak 659 (3.73, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.64, residual support = 27.3:
      O   HA    VAL   75 - HN    ASP-  76   2.20 +/- 0.03  99.998% * 99.6957% (0.69  10.0   4.64  27.29) = 100.000%  kept
          HD3   PRO   58 - HN    ASP-  76  17.13 +/- 1.83   0.001% *  0.1340% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ASP-  76  15.24 +/- 1.68   0.001% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASP-  76  21.39 +/- 1.20   0.000% *  0.0706% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 660 (2.90, 9.10, 128.88 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.72, residual support = 36.3:
      O   HB2   ASP-  76 - HN    ASP-  76   2.74 +/- 0.61  98.737% * 99.7699% (1.00  10.0   3.72  36.32) =  99.999%  kept
          HB2   ASP-  78 - HN    ASP-  76   6.58 +/- 0.66   1.243% *  0.0724% (0.73   1.0   0.02   3.21) =   0.001%
          HB2   ASN   28 - HN    ASP-  76  13.18 +/- 1.26   0.013% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  76  16.24 +/- 1.27   0.006% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  76  22.84 +/- 0.39   0.001% *  0.0978% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    ASP-  76  21.59 +/- 0.82   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.05 A, kept.
 
    Peak 661 (2.25, 9.10, 128.88 ppm):
    11 chemical-shift based assignments, quality = 0.278, support = 3.75, residual support = 36.3:
      O   HB3   ASP-  76 - HN    ASP-  76   2.90 +/- 0.47  99.583% * 97.9021% (0.28  10.0   3.75  36.32) =  99.999%  kept
          HB2   ASP-  44 - HN    ASP-  76   8.40 +/- 0.72   0.258% *  0.1579% (0.45   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP-  76  10.83 +/- 1.91   0.094% *  0.2278% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ASP-  76  12.03 +/- 0.64   0.028% *  0.1994% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ASP-  76  14.85 +/- 2.03   0.015% *  0.3054% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP-  76  14.08 +/- 1.09   0.011% *  0.3331% (0.95   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  76  16.72 +/- 1.19   0.004% *  0.1714% (0.49   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  76  19.74 +/- 1.31   0.002% *  0.3331% (0.95   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP-  76  17.78 +/- 1.34   0.003% *  0.1201% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    ASP-  76  20.27 +/- 1.44   0.001% *  0.1714% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    ASP-  76  24.44 +/- 1.54   0.000% *  0.0784% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 662 (0.45, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 4.97, residual support = 27.3:
          QG1   VAL   75 - HN    ASP-  76   3.07 +/- 0.28  99.991% * 99.7156% (0.69   4.97  27.29) = 100.000%  kept
          QD1   LEU  115 - HN    ASP-  76  15.22 +/- 1.55   0.009% *  0.2844% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 663 (0.13, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.64, residual support = 27.3:
          QG2   VAL   75 - HN    ASP-  76   3.87 +/- 0.49  99.882% * 99.6073% (0.98   4.64  27.29) = 100.000%  kept
          QG2   VAL   42 - HN    ASP-  76  12.46 +/- 0.72   0.118% *  0.3927% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.03 A, kept.
 
    Peak 664 (3.69, 8.60, 114.88 ppm):
    6 chemical-shift based assignments, quality = 0.427, support = 2.2, residual support = 9.21:
      O   HA2   GLY  109 - HN    GLY  109   2.56 +/- 0.26  99.966% * 99.3336% (0.43  10.0   2.20   9.21) = 100.000%  kept
          HA    THR  118 - HN    GLY  109  11.97 +/- 0.78   0.015% *  0.1522% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    GLY  109  13.29 +/- 0.51   0.006% *  0.1693% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    GLY  109  15.07 +/- 2.97   0.006% *  0.1620% (0.70   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    GLY  109  14.73 +/- 2.36   0.004% *  0.1341% (0.58   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    GLY  109  16.32 +/- 2.10   0.004% *  0.0488% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 666 (1.22, 8.60, 114.88 ppm):
    8 chemical-shift based assignments, quality = 0.685, support = 0.02, residual support = 0.02:
          HG3   LYS+ 111 - HN    GLY  109   6.68 +/- 1.22  81.855% * 20.3763% (0.70   0.02   0.02) =  88.688%  kept
          HG12  ILE   89 - HN    GLY  109  12.16 +/- 2.82   7.320% * 21.3024% (0.73   0.02   0.02) =   8.291%  kept
          HD2   LYS+ 112 - HN    GLY  109  11.14 +/- 1.74   9.650% *  4.3683% (0.15   0.02   0.02) =   2.242%  kept
          HG2   LYS+  74 - HN    GLY  109  15.00 +/- 2.08   0.863% * 13.3882% (0.46   0.02   0.02) =   0.614%  kept
          HG    LEU   71 - HN    GLY  109  22.12 +/- 1.39   0.074% * 14.2794% (0.49   0.02   0.02) =   0.056%
          HG3   LYS+  99 - HN    GLY  109  22.03 +/- 0.72   0.081% * 12.4970% (0.43   0.02   0.02) =   0.054%
          HB3   LEU   71 - HN    GLY  109  20.95 +/- 1.67   0.100% *  5.5041% (0.19   0.02   0.02) =   0.029%
          HG13  ILE   19 - HN    GLY  109  23.10 +/- 1.61   0.058% *  8.2844% (0.28   0.02   0.02) =   0.025%
    Distance limit 4.56 A violated in 17 structures by 1.81 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 = 7.61:
          QG1   VAL  108 - HN    GLY  109   2.50 +/- 0.21  99.993% * 98.9381% (0.65   3.09   7.61) = 100.000%  kept
          QD1   LEU   40 - HN    GLY  109  14.77 +/- 1.03   0.003% *  0.5069% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    GLY  109  15.02 +/- 1.70   0.003% *  0.2517% (0.26   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    GLY  109  17.37 +/- 1.88   0.001% *  0.3034% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 668 (3.69, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 2.2, residual support = 6.39:
      O   HA2   GLY  109 - HN    ALA  110   2.97 +/- 0.21  99.915% * 99.3336% (0.57  10.0   2.20   6.39) = 100.000%  kept
          HA    THR  118 - HN    ALA  110  12.17 +/- 1.02   0.028% *  0.1522% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  110  14.86 +/- 3.44   0.024% *  0.1620% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA  110  13.08 +/- 1.09   0.017% *  0.1693% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  110  15.96 +/- 2.71   0.007% *  0.1341% (0.76   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  110  17.07 +/- 2.85   0.009% *  0.0488% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 669 (1.84, 8.75, 122.21 ppm):
    14 chemical-shift based assignments, quality = 0.239, support = 0.729, residual support = 5.07:
          HG2   PRO   93 - HN    ALA  110   5.56 +/- 3.74  72.753% * 54.6666% (0.22   0.75   5.22) =  97.159%  kept
          HB3   PRO   52 - HN    ALA  110   8.08 +/- 4.20  14.696% *  6.4182% (0.98   0.02   0.02) =   2.304%  kept
          QB    LYS+ 106 - HN    ALA  110   8.70 +/- 0.82   9.786% *  1.2958% (0.20   0.02   0.02) =   0.310%
          HB3   ASP- 105 - HN    ALA  110  13.56 +/- 0.77   0.774% *  2.9356% (0.45   0.02   0.02) =   0.056%
          HG2   ARG+  54 - HN    ALA  110  12.79 +/- 2.59   0.593% *  3.1872% (0.49   0.02   0.02) =   0.046%
          HG    LEU  123 - HN    ALA  110  18.37 +/- 1.43   0.254% *  6.4182% (0.98   0.02   0.02) =   0.040%
          HG12  ILE  103 - HN    ALA  110  17.00 +/- 1.61   0.194% *  5.2431% (0.80   0.02   0.02) =   0.025%
          HB    ILE  103 - HN    ALA  110  17.04 +/- 1.28   0.224% *  3.4450% (0.53   0.02   0.02) =   0.019%
          HB3   GLN   90 - HN    ALA  110  14.15 +/- 1.94   0.396% *  1.8205% (0.28   0.02   0.02) =   0.018%
          QB    LYS+  66 - HN    ALA  110  16.79 +/- 1.78   0.180% *  2.9356% (0.45   0.02   0.02) =   0.013%
          HB    VAL   41 - HN    ALA  110  19.39 +/- 1.76   0.062% *  4.2358% (0.65   0.02   0.02) =   0.006%
          HG3   PRO   68 - HN    ALA  110  23.25 +/- 2.62   0.026% *  3.7071% (0.57   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    ALA  110  19.87 +/- 2.83   0.046% *  1.4578% (0.22   0.02   0.02) =   0.002%
          QB    LYS+  33 - HN    ALA  110  25.03 +/- 1.61   0.017% *  2.2335% (0.34   0.02   0.02) =   0.001%
    Distance limit 4.33 A violated in 5 structures by 1.29 A, kept.
 
    Peak 670 (1.44, 8.75, 122.21 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.12, residual support = 9.59:
      O   QB    ALA  110 - HN    ALA  110   2.62 +/- 0.29  99.548% * 98.9553% (0.69  10.0   2.12   9.59) = 100.000%  kept
          HB3   LEU  115 - HN    ALA  110   7.04 +/- 1.18   0.434% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ALA  110  13.25 +/- 1.96   0.010% *  0.1292% (0.90   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA  110  16.74 +/- 1.59   0.002% *  0.1428% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA  110  18.88 +/- 2.07   0.001% *  0.1292% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA  110  20.35 +/- 2.70   0.001% *  0.1046% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA  110  20.73 +/- 2.38   0.001% *  0.1412% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA  110  19.02 +/- 1.43   0.001% *  0.0592% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA  110  19.44 +/- 3.16   0.001% *  0.0321% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA  110  22.46 +/- 1.85   0.000% *  0.1154% (0.80   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  110  20.43 +/- 2.60   0.001% *  0.0445% (0.31   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA  110  23.40 +/- 2.43   0.000% *  0.0874% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 671 (2.02, 7.58, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 7.06, residual support = 315.3:
      O   HB2   LYS+ 111 - HN    LYS+ 111   3.09 +/- 0.63  73.270% * 99.3619% (1.00  10.0   7.06 315.37) =  99.981%  kept
          QB    GLU- 114 - HN    LYS+ 111   4.12 +/- 0.78  26.657% *  0.0524% (0.53   1.0   0.02   0.02) =   0.019%
          HB    ILE  119 - HN    LYS+ 111  10.90 +/- 0.92   0.068% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 111  22.53 +/- 2.36   0.001% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 111  23.38 +/- 2.43   0.001% *  0.0893% (0.90   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 111  23.75 +/- 1.66   0.001% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 111  22.57 +/- 3.16   0.001% *  0.0374% (0.38   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 111  22.47 +/- 2.04   0.001% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 111  28.50 +/- 2.48   0.000% *  0.0864% (0.87   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 111  26.32 +/- 2.33   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 111  24.62 +/- 1.96   0.000% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 111  26.58 +/- 1.46   0.000% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.03 A, kept.
 
    Peak 672 (1.52, 7.58, 125.75 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.5, residual support = 315.4:
      O   HB3   LYS+ 111 - HN    LYS+ 111   2.73 +/- 0.55  99.968% * 99.4649% (0.92  10.0   5.50 315.37) = 100.000%  kept
          HB3   LYS+ 121 - HN    LYS+ 111  14.20 +/- 1.24   0.009% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+ 111  13.31 +/- 2.06   0.012% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LYS+ 111  16.14 +/- 2.38   0.005% *  0.0966% (0.90   1.0   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+ 111  16.82 +/- 1.87   0.003% *  0.0863% (0.80   1.0   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+ 111  18.78 +/- 1.81   0.001% *  0.1056% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 111  18.97 +/- 2.02   0.001% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 111  21.90 +/- 1.81   0.001% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+ 111  28.49 +/- 2.36   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.08 A, kept.
 
    Peak 673 (1.22, 7.58, 125.75 ppm):
    8 chemical-shift based assignments, quality = 0.917, support = 6.53, residual support = 312.9:
          HG3   LYS+ 111 - HN    LYS+ 111   3.31 +/- 0.58  94.036% * 87.0415% (0.92   6.55 315.37) =  99.140%  kept
          HD2   LYS+ 112 - HN    LYS+ 111   7.83 +/- 1.59   5.925% * 11.9771% (0.20   4.20  28.11) =   0.860%  kept
          HG12  ILE   89 - HN    LYS+ 111  15.99 +/- 3.00   0.025% *  0.2778% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    LYS+ 111  16.71 +/- 2.57   0.008% *  0.1746% (0.61   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    LYS+ 111  23.48 +/- 2.26   0.001% *  0.1862% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    LYS+ 111  23.12 +/- 1.74   0.001% *  0.1630% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 111  22.28 +/- 2.36   0.002% *  0.0718% (0.25   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    LYS+ 111  24.17 +/- 2.22   0.001% *  0.1080% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.12 A, kept.
 
    Peak 674 (0.80, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 2.11, residual support = 2.1:
          QD1   ILE   56 - HN    LYS+ 111   5.95 +/- 3.69  90.997% * 97.4188% (0.76   2.11   2.11) =  99.923%  kept
          HG3   LYS+ 121 - HN    LYS+ 111  14.34 +/- 1.56   3.702% *  1.1673% (0.97   0.02   0.02) =   0.049%
          QD2   LEU  123 - HN    LYS+ 111  15.45 +/- 1.07   3.132% *  0.4126% (0.34   0.02   0.02) =   0.015%
          QD2   LEU   73 - HN    LYS+ 111  17.45 +/- 2.07   1.967% *  0.5887% (0.49   0.02   0.02) =   0.013%
          HG    LEU   31 - HN    LYS+ 111  23.63 +/- 1.82   0.202% *  0.4126% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.80 A violated in 8 structures by 2.39 A, kept.
 
    Peak 675 (3.46, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.74, residual support = 231.7:
      O   HA    LYS+ 112 - HN    LYS+ 112   2.80 +/- 0.06  99.992% * 99.8622% (0.87  10.0   5.74 231.66) = 100.000%  kept
          HB    THR   46 - HN    LYS+ 112  15.28 +/- 1.87   0.005% *  0.0393% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    LYS+ 112  16.97 +/- 0.96   0.002% *  0.0698% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LYS+ 112  29.43 +/- 2.84   0.000% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 676 (2.02, 8.49, 124.18 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 7.06, residual support = 28.1:
          HB2   LYS+ 111 - HN    LYS+ 112   3.76 +/- 0.48  86.855% * 97.8503% (0.87   7.06  28.11) =  99.986%  kept
          QB    GLU- 114 - HN    LYS+ 112   5.52 +/- 0.58  12.544% *  0.0889% (0.28   0.02   0.11) =   0.013%
          HB    ILE  119 - HN    LYS+ 112  10.42 +/- 0.62   0.232% *  0.1556% (0.49   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+ 112  10.95 +/- 0.99   0.234% *  0.0889% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+ 112  12.41 +/- 2.06   0.123% *  0.0712% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 112  23.41 +/- 1.83   0.002% *  0.3197% (1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 112  22.79 +/- 2.73   0.002% *  0.2560% (0.80   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 112  24.09 +/- 1.66   0.001% *  0.2560% (0.80   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 112  22.66 +/- 2.74   0.003% *  0.0560% (0.18   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 112  28.24 +/- 2.40   0.001% *  0.2560% (0.80   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 112  26.70 +/- 2.04   0.001% *  0.1556% (0.49   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 112  23.76 +/- 2.22   0.002% *  0.0712% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 112  28.66 +/- 1.10   0.001% *  0.1810% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 112  30.86 +/- 2.55   0.000% *  0.1939% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.04 A, kept.
 
    Peak 677 (1.39, 8.49, 124.18 ppm):
    13 chemical-shift based assignments, quality = 0.764, support = 5.72, residual support = 231.7:
      O   HB2   LYS+ 112 - HN    LYS+ 112   2.66 +/- 0.58  99.295% * 98.9690% (0.76  10.0   5.72 231.66) = 100.000%  kept
          HB3   PRO   93 - HN    LYS+ 112  10.13 +/- 2.07   0.680% *  0.0200% (0.15   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+ 112  15.15 +/- 0.85   0.005% *  0.0838% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 112  20.48 +/- 2.86   0.007% *  0.0532% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 112  18.60 +/- 2.05   0.002% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+ 112  14.57 +/- 2.17   0.006% *  0.0486% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+ 112  19.26 +/- 1.33   0.002% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 112  21.27 +/- 2.05   0.001% *  0.1123% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+ 112  19.72 +/- 1.00   0.001% *  0.0890% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 112  25.35 +/- 1.93   0.000% *  0.1082% (0.84   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 112  28.76 +/- 2.69   0.000% *  0.1195% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 112  24.14 +/- 2.71   0.000% *  0.0323% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 112  30.44 +/- 1.56   0.000% *  0.1250% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.05 A, kept.
 
    Peak 678 (1.18, 8.49, 124.18 ppm):
    6 chemical-shift based assignments, quality = 0.874, support = 5.74, residual support = 231.7:
      O   HB3   LYS+ 112 - HN    LYS+ 112   2.89 +/- 0.67  74.718% * 84.2788% (0.90  10.0   5.68 231.66) =  94.489%  kept
          HD2   LYS+ 112 - HN    LYS+ 112   4.36 +/- 1.13  23.653% * 15.5254% (0.49   1.0   6.79 231.66) =   5.510%  kept
          QG2   VAL  107 - HN    LYS+ 112   6.08 +/- 0.85   1.590% *  0.0186% (0.20   1.0   0.02   0.02) =   0.000%
          QG2   THR   94 - HN    LYS+ 112  10.77 +/- 0.99   0.038% *  0.0815% (0.87   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LYS+ 112  19.44 +/- 1.49   0.001% *  0.0570% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 112  23.88 +/- 2.06   0.000% *  0.0386% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 680 (0.38, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 6.22, residual support = 231.7:
          HG2   LYS+ 112 - HN    LYS+ 112   3.81 +/- 0.36  99.831% * 98.1742% (0.34   6.22 231.66) =  99.999%  kept
          QB    ALA   47 - HN    LYS+ 112  13.32 +/- 1.33   0.087% *  0.7405% (0.80   0.02   0.02) =   0.001%
          QG1   VAL   42 - HN    LYS+ 112  14.26 +/- 1.18   0.047% *  0.6352% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    LYS+ 112  15.08 +/- 1.23   0.035% *  0.4501% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.02 A, kept.
 
    Peak 681 (0.80, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 1.73, residual support = 8.52:
          QD1   ILE   56 - HN    LYS+ 112   6.22 +/- 2.84  92.896% * 96.8826% (0.76   1.74   8.52) =  99.938%  kept
          HG3   LYS+ 121 - HN    LYS+ 112  15.42 +/- 1.37   1.593% *  1.4098% (0.97   0.02   0.02) =   0.025%
          QD2   LEU   73 - HN    LYS+ 112  18.94 +/- 1.94   2.927% *  0.7110% (0.49   0.02   0.02) =   0.023%
          QD2   LEU  123 - HN    LYS+ 112  14.86 +/- 1.41   2.418% *  0.4983% (0.34   0.02   0.02) =   0.013%
          HG    LEU   31 - HN    LYS+ 112  26.17 +/- 1.58   0.167% *  0.4983% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.95 A violated in 8 structures by 2.30 A, kept.
 
    Peak 682 (1.06, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.94, residual support = 231.7:
          HG3   LYS+ 112 - HN    LYS+ 112   3.28 +/- 0.41  99.769% * 99.2174% (0.87   5.94 231.66) = 100.000%  kept
          QG2   VAL  108 - HN    LYS+ 112   9.72 +/- 0.59   0.202% *  0.0594% (0.15   0.02   0.02) =   0.000%
          HG    LEU   63 - HN    LYS+ 112  13.73 +/- 1.44   0.028% *  0.3776% (0.98   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LYS+ 112  23.08 +/- 1.99   0.001% *  0.3455% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.09 A, kept.
 
    Peak 683 (3.46, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 5.09, residual support = 14.7:
      O   HA    LYS+ 112 - HN    ASP- 113   3.54 +/- 0.04  99.975% * 99.8622% (0.74  10.0   5.09  14.72) = 100.000%  kept
          HB2   HIS  122 - HN    ASP- 113  16.20 +/- 0.80   0.012% *  0.0698% (0.52   1.0   0.02   0.02) =   0.000%
          HB    THR   46 - HN    ASP- 113  16.94 +/- 2.07   0.013% *  0.0393% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    ASP- 113  30.84 +/- 2.51   0.000% *  0.0287% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 684 (2.69, 8.43, 117.70 ppm):
    1 chemical-shift based assignment, quality = 0.823, support = 3.42, residual support = 14.3:
      O   QB    ASP- 113 - HN    ASP- 113   2.10 +/- 0.07 100.000% *100.0000% (0.82  10.0   3.42  14.25) = 100.000%  kept
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.33, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.263, support = 2.83, residual support = 21.6:
          QG    GLU- 114 - HN    ASP- 113   4.47 +/- 0.52  98.405% * 93.4733% (0.26   2.83  21.58) =  99.981%  kept
          HB2   PRO   58 - HN    ASP- 113  11.14 +/- 1.93   0.754% *  1.0422% (0.41   0.02   0.02) =   0.009%
          HG2   PRO   52 - HN    ASP- 113  13.62 +/- 2.64   0.423% *  1.6364% (0.65   0.02   0.02) =   0.008%
          HG2   MET   92 - HN    ASP- 113  13.40 +/- 2.75   0.412% *  0.5339% (0.21   0.02   0.02) =   0.002%
          HB2   GLU-  79 - HN    ASP- 113  26.10 +/- 2.83   0.005% *  0.8036% (0.32   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ASP- 113  33.94 +/- 2.17   0.001% *  1.9766% (0.79   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP- 113  35.38 +/- 1.25   0.000% *  0.5339% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.12 A, kept.
 
    Peak 686 (2.02, 8.43, 117.70 ppm):
    12 chemical-shift based assignments, quality = 0.777, support = 2.36, residual support = 7.15:
          HB2   LYS+ 111 - HN    ASP- 113   3.58 +/- 0.77  77.585% * 54.3877% (0.85   2.17   3.92) =  81.715%  kept
          QB    GLU- 114 - HN    ASP- 113   4.58 +/- 0.38  22.137% * 42.6535% (0.45   3.22  21.58) =  18.285%  kept
          HB    ILE  119 - HN    ASP- 113   9.41 +/- 0.42   0.269% *  0.1254% (0.21   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    ASP- 113  23.72 +/- 2.42   0.002% *  0.4931% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ASP- 113  23.18 +/- 1.76   0.002% *  0.4511% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP- 113  22.31 +/- 2.53   0.003% *  0.1888% (0.32   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP- 113  24.39 +/- 1.37   0.001% *  0.4931% (0.84   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP- 113  24.59 +/- 1.86   0.001% *  0.2255% (0.38   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP- 113  29.01 +/- 1.99   0.000% *  0.2647% (0.45   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP- 113  32.16 +/- 2.25   0.000% *  0.4363% (0.74   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP- 113  27.40 +/- 1.68   0.001% *  0.1254% (0.21   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP- 113  28.15 +/- 1.00   0.000% *  0.1553% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.39, 8.43, 117.70 ppm):
    13 chemical-shift based assignments, quality = 0.651, support = 4.98, residual support = 14.7:
          HB2   LYS+ 112 - HN    ASP- 113   3.44 +/- 0.24  99.737% * 95.9847% (0.65   4.98  14.72) = 100.000%  kept
          HB3   PRO   93 - HN    ASP- 113  11.81 +/- 1.91   0.161% *  0.0778% (0.13   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP- 113  13.01 +/- 2.24   0.064% *  0.1893% (0.32   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP- 113  14.73 +/- 0.80   0.018% *  0.3263% (0.55   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ASP- 113  19.04 +/- 1.69   0.005% *  0.4656% (0.79   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ASP- 113  19.60 +/- 0.97   0.003% *  0.4656% (0.79   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP- 113  19.63 +/- 0.84   0.003% *  0.3465% (0.59   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ASP- 113  22.20 +/- 1.71   0.002% *  0.4375% (0.74   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP- 113  21.88 +/- 2.52   0.004% *  0.2074% (0.35   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP- 113  24.75 +/- 2.13   0.001% *  0.4213% (0.71   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ASP- 113  29.30 +/- 2.34   0.000% *  0.4656% (0.79   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ASP- 113  30.86 +/- 1.23   0.000% *  0.4867% (0.82   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP- 113  25.71 +/- 2.56   0.001% *  0.1258% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.08 A, kept.
 
    Peak 688 (1.18, 8.43, 117.70 ppm):
    6 chemical-shift based assignments, quality = 0.723, support = 4.66, residual support = 14.7:
          HB3   LYS+ 112 - HN    ASP- 113   3.60 +/- 0.30  80.461% * 58.9190% (0.76   4.51  14.72) =  87.989%  kept
          HD2   LYS+ 112 - HN    ASP- 113   5.65 +/- 1.22  15.983% * 40.4746% (0.41   5.71  14.72) =  12.007%  kept
          QG2   VAL  107 - HN    ASP- 113   6.28 +/- 0.63   3.457% *  0.0576% (0.17   0.02   0.02) =   0.004%
          QG2   THR   94 - HN    ASP- 113  11.32 +/- 0.98   0.094% *  0.2526% (0.74   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ASP- 113  19.31 +/- 1.39   0.004% *  0.1766% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    ASP- 113  24.21 +/- 1.76   0.001% *  0.1197% (0.35   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 3.3, residual support = 21.6:
      O   HA    ASP- 113 - HN    GLU- 114   3.61 +/- 0.04  99.397% * 99.6702% (1.00  10.0   3.30  21.58) = 100.000%  kept
          HA    ILE   56 - HN    GLU- 114   9.83 +/- 1.57   0.400% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 114  10.54 +/- 0.83   0.184% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU- 114  16.02 +/- 0.42   0.013% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU- 114  21.64 +/- 0.70   0.002% *  0.0800% (0.80   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU- 114  21.23 +/- 1.87   0.003% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU- 114  28.37 +/- 0.89   0.000% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 690 (2.68, 8.16, 121.97 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 21.6:
          QB    ASP- 113 - HN    GLU- 114   2.52 +/- 0.24  99.994% * 99.8604% (0.97   3.30  21.58) = 100.000%  kept
          HB2   ASP-  62 - HN    GLU- 114  13.01 +/- 0.93   0.006% *  0.1396% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 691 (2.32, 8.16, 121.97 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.36, residual support = 44.3:
          QG    GLU- 114 - HN    GLU- 114   2.56 +/- 0.52  99.949% * 97.7080% (0.84   4.36  44.29) = 100.000%  kept
          HG2   PRO   52 - HN    GLU- 114  13.82 +/- 2.68   0.024% *  0.5258% (0.98   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    GLU- 114  13.07 +/- 2.83   0.027% *  0.4099% (0.76   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU- 114  25.39 +/- 2.64   0.000% *  0.4811% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    GLU- 114  32.71 +/- 1.99   0.000% *  0.4653% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    GLU- 114  33.70 +/- 1.18   0.000% *  0.4099% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 692 (2.01, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.838, support = 3.75, residual support = 42.1:
      O   QB    GLU- 114 - HN    GLU- 114   2.32 +/- 0.29  67.453% * 89.8057% (0.84  10.0   3.84  44.29) =  95.078%  kept
          HB2   LYS+ 111 - HN    GLU- 114   3.21 +/- 1.30  32.547% *  9.6354% (0.90   1.0   2.00   0.02) =   4.922%  kept
          HG2   PRO   68 - HN    GLU- 114  21.37 +/- 2.39   0.000% *  0.0739% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU- 114  23.41 +/- 1.92   0.000% *  0.1017% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU- 114  22.30 +/- 1.70   0.000% *  0.0652% (0.61   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU- 114  23.78 +/- 1.22   0.000% *  0.1017% (0.95   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU- 114  23.63 +/- 1.55   0.000% *  0.0822% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU- 114  30.96 +/- 2.04   0.000% *  0.1075% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLU- 114  27.67 +/- 1.68   0.000% *  0.0268% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 693 (1.52, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.92, support = 0.0199, residual support = 0.0199:
          HB3   LYS+ 111 - HN    GLU- 114   3.55 +/- 0.71  99.542% * 15.6743% (0.92   0.02   0.02) =  99.707%  kept
          HD2   LYS+ 121 - HN    GLU- 114  10.59 +/- 1.97   0.290% *  6.9806% (0.41   0.02   0.02) =   0.129%
          HB3   LYS+ 121 - HN    GLU- 114  12.02 +/- 0.80   0.103% * 16.6435% (0.98   0.02   0.02) =   0.110%
          QD    LYS+  66 - HN    GLU- 114  15.41 +/- 1.26   0.024% * 13.5963% (0.80   0.02   0.02) =   0.021%
          HD3   LYS+  74 - HN    GLU- 114  18.28 +/- 2.35   0.021% * 15.2279% (0.90   0.02   0.02) =   0.020%
          HG    LEU  104 - HN    GLU- 114  18.00 +/- 1.22   0.009% * 16.6435% (0.98   0.02   0.02) =   0.009%
          HG2   LYS+  65 - HN    GLU- 114  18.72 +/- 1.14   0.008% *  5.7919% (0.34   0.02   0.02) =   0.003%
          QG2   THR   26 - HN    GLU- 114  23.43 +/- 1.43   0.003% *  4.7210% (0.28   0.02   0.02) =   0.001%
          HG2   LYS+  33 - HN    GLU- 114  29.30 +/- 1.92   0.001% *  4.7210% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.10 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 694 (1.14, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.507, support = 1.42, residual support = 4.98:
          QG2   VAL  107 - HN    GLU- 114   4.85 +/- 0.49  77.180% * 66.0399% (0.53   1.45   5.30) =  93.739%  kept
          HD3   LYS+ 112 - HN    GLU- 114   6.81 +/- 1.39  19.875% * 15.2853% (0.15   1.14   0.11) =   5.587%  kept
          HG13  ILE  119 - HN    GLU- 114   9.09 +/- 1.19   2.553% * 14.1674% (0.73   0.23   0.02) =   0.665%  kept
          HG2   LYS+ 121 - HN    GLU- 114  12.40 +/- 1.18   0.329% *  1.3233% (0.76   0.02   0.02) =   0.008%
          QB    ALA   20 - HN    GLU- 114  21.18 +/- 1.93   0.015% *  1.7277% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    GLU- 114  17.11 +/- 1.41   0.045% *  0.2672% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    GLU- 114  26.02 +/- 1.08   0.003% *  1.1894% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.05 A, kept.
 
    Peak 695 (3.82, 8.85, 104.25 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 3.86, residual support = 14.9:
      O   HA    GLU- 100 - HN    GLY  101   3.14 +/- 0.35  99.973% * 99.4046% (0.57  10.0   3.86  14.95) = 100.000%  kept
          HA    GLN   30 - HN    GLY  101  13.58 +/- 1.42   0.022% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLY  101  18.90 +/- 3.23   0.004% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLY  101  25.50 +/- 2.42   0.000% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLY  101  25.49 +/- 2.64   0.001% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLY  101  28.86 +/- 3.27   0.000% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 696 (3.54, 8.85, 104.25 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 2.86, residual support = 15.4:
      O   HA2   GLY  101 - HN    GLY  101   2.88 +/- 0.09  99.993% * 99.9154% (0.53  10.0   2.86  15.44) = 100.000%  kept
          HB2   TRP   27 - HN    GLY  101  15.36 +/- 1.68   0.006% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    GLY  101  23.51 +/- 0.80   0.000% *  0.0423% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 697 (3.82, 10.11, 128.03 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 6.39, residual support = 75.7:
      O   HA    GLU- 100 - HN    GLU- 100   2.21 +/- 0.06  99.996% * 99.4046% (0.57  10.0   6.39  75.70) = 100.000%  kept
          HA    GLN   30 - HN    GLU- 100  12.49 +/- 1.08   0.004% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLU- 100  20.03 +/- 3.01   0.000% *  0.1065% (0.61   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLU- 100  24.84 +/- 2.64   0.000% *  0.1206% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLU- 100  25.48 +/- 2.26   0.000% *  0.1694% (0.97   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLU- 100  29.16 +/- 3.15   0.000% *  0.0924% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 698 (2.10, 10.11, 128.03 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 4.3, residual support = 75.7:
          HG3   GLU- 100 - HN    GLU- 100   2.99 +/- 0.57  99.911% * 97.4392% (0.69   4.30  75.70) =  99.999%  kept
          QB    GLN   32 - HN    GLU- 100  11.31 +/- 0.91   0.065% *  0.6464% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLU- 100  15.16 +/- 1.62   0.017% *  0.6464% (0.98   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU- 100  19.04 +/- 1.48   0.003% *  0.6239% (0.95   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    GLU- 100  20.05 +/- 2.32   0.002% *  0.1468% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU- 100  24.19 +/- 2.28   0.001% *  0.1834% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLU- 100  25.43 +/- 4.13   0.001% *  0.1305% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU- 100  28.13 +/- 3.44   0.000% *  0.1834% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 699 (1.76, 10.11, 128.03 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 5.6, residual support = 39.6:
          HB2   LYS+  99 - HN    GLU- 100   4.41 +/- 0.14  99.724% * 99.1238% (0.73   5.60  39.58) =  99.999%  kept
          HB    VAL   43 - HN    GLU- 100  12.17 +/- 1.01   0.266% *  0.4072% (0.84   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    GLU- 100  25.87 +/- 2.36   0.003% *  0.3725% (0.76   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    GLU- 100  22.72 +/- 2.46   0.007% *  0.0965% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.04 A, kept.
 
    Peak 700 (1.32, 10.11, 128.03 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 6.35, residual support = 39.6:
          HG2   LYS+  99 - HN    GLU- 100   3.25 +/- 0.37  96.948% * 98.3855% (0.90   6.35  39.58) =  99.990%  kept
          HG2   LYS+  38 - HN    GLU- 100   6.26 +/- 0.75   2.874% *  0.3334% (0.97   0.02   0.02) =   0.010%
          HB2   LEU   31 - HN    GLU- 100  10.45 +/- 1.17   0.154% *  0.1956% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLU- 100  16.34 +/- 1.16   0.008% *  0.1066% (0.31   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    GLU- 100  19.12 +/- 1.85   0.004% *  0.2096% (0.61   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLU- 100  20.58 +/- 2.29   0.002% *  0.3268% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLU- 100  17.03 +/- 1.15   0.007% *  0.0769% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLU- 100  21.71 +/- 3.40   0.002% *  0.1420% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLU- 100  25.69 +/- 2.41   0.001% *  0.2235% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 702 (1.77, 8.33, 118.17 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.79, residual support = 171.0:
      O   HB2   LYS+  99 - HN    LYS+  99   3.02 +/- 0.25  99.856% * 99.7262% (0.99  10.0   4.79 171.04) = 100.000%  kept
          HB    VAL   43 - HN    LYS+  99  10.37 +/- 0.84   0.083% *  0.0952% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   30  11.23 +/- 0.95   0.048% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+  99  21.19 +/- 1.00   0.001% *  0.0570% (0.57   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    LYS+  99  24.84 +/- 2.22   0.000% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   30  16.16 +/- 0.94   0.005% *  0.0066% (0.07   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   30  17.54 +/- 2.01   0.003% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    GLN   30  16.84 +/- 0.98   0.004% *  0.0037% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 3.89, residual support = 17.7:
          QB    LEU   98 - HN    LYS+  99   3.09 +/- 0.33  98.738% * 93.6307% (0.57   3.89  17.66) =  99.999%  kept
          HD3   LYS+ 121 - HN    LYS+  99  13.44 +/- 2.87   0.038% *  0.7373% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+  99  14.07 +/- 2.76   0.027% *  0.3811% (0.45   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    GLN   30   7.38 +/- 0.73   0.824% *  0.0086% (0.01   0.02   5.24) =   0.000%
          HG    LEU   73 - HN    LYS+  99  12.09 +/- 1.22   0.040% *  0.1311% (0.15   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    GLN   30  10.55 +/- 1.15   0.090% *  0.0501% (0.06   0.02  14.09) =   0.000%
          HG12  ILE   19 - HN    LYS+  99  17.73 +/- 1.84   0.005% *  0.7623% (0.90   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    GLN   30  11.81 +/- 2.87   0.054% *  0.0447% (0.05   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+  99  15.70 +/- 1.52   0.008% *  0.2363% (0.28   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    GLN   30  11.08 +/- 0.91   0.063% *  0.0316% (0.04   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  99  17.54 +/- 1.23   0.004% *  0.5155% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+  99  18.76 +/- 0.82   0.003% *  0.7100% (0.84   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  99  18.88 +/- 0.70   0.002% *  0.7100% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    GLN   30  12.19 +/- 0.65   0.033% *  0.0466% (0.05   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLN   30  12.74 +/- 2.06   0.027% *  0.0539% (0.06   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+  99  20.71 +/- 3.93   0.002% *  0.6806% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+  99  20.85 +/- 3.23   0.001% *  0.8203% (0.97   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    GLN   30  14.91 +/- 3.66   0.029% *  0.0172% (0.02   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  99  21.48 +/- 2.90   0.001% *  0.2623% (0.31   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    GLN   30  17.81 +/- 1.58   0.004% *  0.0339% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN   30  17.06 +/- 0.92   0.005% *  0.0250% (0.03   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLN   30  22.29 +/- 1.75   0.001% *  0.0466% (0.05   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLN   30  24.82 +/- 2.84   0.001% *  0.0484% (0.06   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    GLN   30  20.32 +/- 0.74   0.001% *  0.0155% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.03 A, kept.
 
    Peak 704 (0.72, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.76, support = 3.4, residual support = 17.5:
          QD2   LEU  104 - HN    LYS+  99   3.31 +/- 0.89  65.340% * 47.8193% (0.80   3.11  17.35) =  64.151%  kept
          QD1   LEU   98 - HN    LYS+  99   3.96 +/- 0.94  33.799% * 51.6605% (0.69   3.91  17.66) =  35.849%  kept
          QD1   ILE   19 - HN    GLN   30   7.90 +/- 1.52   0.729% *  0.0163% (0.04   0.02  14.09) =   0.000%
          QD1   ILE   19 - HN    LYS+  99  14.70 +/- 1.36   0.010% *  0.2487% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   98 - HN    GLN   30  10.96 +/- 0.96   0.058% *  0.0173% (0.05   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LYS+  99  15.30 +/- 1.00   0.010% *  0.0856% (0.22   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LYS+  99  17.27 +/- 1.16   0.005% *  0.1186% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    GLN   30  12.51 +/- 0.71   0.029% *  0.0056% (0.01   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    GLN   30  15.08 +/- 1.63   0.007% *  0.0202% (0.05   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    GLN   30  14.16 +/- 1.40   0.014% *  0.0078% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 0.851, support = 4.09, residual support = 17.1:
          QD1   LEU  104 - HN    LYS+  99   3.89 +/- 1.05  64.242% * 93.8162% (0.87   4.12  17.35) =  97.965%  kept
          QD1   LEU   73 - HN    GLN   30   4.52 +/- 0.60  33.603% *  3.7171% (0.06   2.49   5.24) =   2.030%  kept
          QD1   LEU   73 - HN    LYS+  99  10.26 +/- 0.82   0.275% *  0.4550% (0.87   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    LYS+  99  11.11 +/- 0.59   0.160% *  0.4550% (0.87   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    LYS+  99  10.80 +/- 1.32   0.202% *  0.1458% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    GLN   30   9.07 +/- 2.62   0.809% *  0.0342% (0.07   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LYS+  99  16.62 +/- 3.33   0.019% *  0.5199% (0.99   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  99  15.88 +/- 0.88   0.017% *  0.5233% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LYS+  99  14.65 +/- 2.54   0.039% *  0.2156% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    GLN   30   9.13 +/- 1.41   0.549% *  0.0142% (0.03   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    GLN   30  14.80 +/- 1.33   0.040% *  0.0299% (0.06   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    GLN   30  15.19 +/- 1.05   0.024% *  0.0299% (0.06   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    GLN   30  15.58 +/- 1.40   0.020% *  0.0096% (0.02   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    GLN   30  21.07 +/- 1.01   0.003% *  0.0344% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 707 (2.38, 9.69, 125.68 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 4.05, residual support = 10.9:
          HB3   PHE   97 - HN    LEU   98   3.91 +/- 0.35  99.123% * 97.5561% (0.65   4.05  10.94) =  99.994%  kept
          HB2   GLU- 100 - HN    LEU   98   9.07 +/- 0.44   0.751% *  0.6679% (0.90   0.02   0.02) =   0.005%
          QG    GLN   32 - HN    LEU   98  13.59 +/- 0.85   0.073% *  0.3918% (0.53   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    LEU   98  18.83 +/- 1.91   0.011% *  0.6221% (0.84   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    LEU   98  18.30 +/- 0.87   0.011% *  0.5963% (0.80   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   98  18.33 +/- 2.32   0.031% *  0.1658% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 708 (1.84, 9.69, 125.68 ppm):
    14 chemical-shift based assignments, quality = 0.667, support = 4.71, residual support = 28.1:
          HB    VAL   41 - HN    LEU   98   3.75 +/- 1.11  76.474% * 58.5527% (0.65   5.02  28.00) =  86.594%  kept
          HG12  ILE  103 - HN    LEU   98   5.55 +/- 1.08  17.576% * 39.3918% (0.80   2.73  28.69) =  13.390%  kept
          HB    ILE  103 - HN    LEU   98   7.23 +/- 0.50   2.060% *  0.1898% (0.53   0.02  28.69) =   0.008%
          HB3   ASP- 105 - HN    LEU   98   7.53 +/- 0.62   1.573% *  0.1617% (0.45   0.02   0.62) =   0.005%
          QB    LYS+ 106 - HN    LEU   98   7.42 +/- 0.77   2.028% *  0.0714% (0.20   0.02   0.02) =   0.003%
          HG3   PRO   68 - HN    LEU   98  13.90 +/- 2.29   0.075% *  0.2042% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LEU   98  12.41 +/- 0.97   0.086% *  0.1617% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   98  11.99 +/- 0.78   0.080% *  0.1230% (0.34   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU   98  16.43 +/- 2.22   0.015% *  0.3536% (0.98   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   98  20.76 +/- 2.77   0.011% *  0.3536% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   98  16.92 +/- 0.60   0.011% *  0.0803% (0.22   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   98  22.20 +/- 2.81   0.004% *  0.1756% (0.49   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU   98  20.51 +/- 1.95   0.004% *  0.0803% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   98  21.63 +/- 1.30   0.003% *  0.1003% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.08 A, kept.
 
    Peak 709 (1.41, 9.69, 125.68 ppm):
    13 chemical-shift based assignments, quality = 0.835, support = 5.12, residual support = 81.7:
      O   QB    LEU   98 - HN    LEU   98   2.80 +/- 0.27  98.045% * 99.2383% (0.84  10.0   5.12  81.72) = 100.000%  kept
          HB    VAL   42 - HN    LEU   98   5.84 +/- 0.69   1.802% *  0.0208% (0.18   1.0   0.02   0.47) =   0.000%
          HD3   LYS+ 121 - HN    LEU   98  12.62 +/- 2.76   0.042% *  0.1185% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   98  11.58 +/- 2.62   0.060% *  0.0265% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   98  14.65 +/- 0.76   0.006% *  0.1178% (0.99   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   98  14.51 +/- 1.78   0.008% *  0.0769% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   98  14.34 +/- 1.27   0.012% *  0.0405% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   98  12.93 +/- 1.11   0.013% *  0.0265% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   98  17.47 +/- 3.01   0.002% *  0.1165% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   98  16.20 +/- 1.02   0.003% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   98  17.41 +/- 3.68   0.003% *  0.0625% (0.53   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   98  19.68 +/- 2.68   0.002% *  0.0673% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   98  17.67 +/- 0.67   0.002% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (0.99, 9.69, 125.68 ppm):
    7 chemical-shift based assignments, quality = 0.964, support = 4.62, residual support = 10.4:
          QD2   LEU   40 - HN    LEU   98   2.91 +/- 0.53  94.053% * 84.0845% (0.97   4.64  10.28) =  99.292%  kept
          QG2   ILE  103 - HN    LEU   98   5.43 +/- 0.47   3.787% * 14.8223% (0.87   0.91  28.69) =   0.705%  kept
          QD1   LEU   67 - HN    LEU   98   9.11 +/- 2.46   0.370% *  0.3551% (0.95   0.02   0.02) =   0.002%
          QD1   ILE  103 - HN    LEU   98   6.20 +/- 0.62   1.595% *  0.0743% (0.20   0.02  28.69) =   0.001%
          QD2   LEU   71 - HN    LEU   98   8.96 +/- 0.88   0.166% *  0.1044% (0.28   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    LEU   98  12.72 +/- 1.47   0.022% *  0.2726% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU   98  15.42 +/- 0.82   0.007% *  0.2869% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 711 (0.73, 9.69, 125.68 ppm):
    7 chemical-shift based assignments, quality = 0.443, support = 4.02, residual support = 62.8:
          QD1   LEU   98 - HN    LEU   98   3.55 +/- 0.96  44.860% * 49.8053% (0.38   4.89  81.72) =  71.576%  kept
          QD2   LEU  104 - HN    LEU   98   5.15 +/- 1.18  14.489% * 33.3453% (0.99   1.24   6.70) =  15.477%  kept
          QG1   VAL   41 - HN    LEU   98   3.90 +/- 0.75  32.221% * 11.4166% (0.15   2.72  28.00) =  11.784%  kept
          QG1   VAL   43 - HN    LEU   98   5.24 +/- 1.16   8.361% *  4.3375% (0.28   0.57   0.02) =   1.162%  kept
          QD1   ILE   19 - HN    LEU   98  12.12 +/- 1.25   0.029% *  0.5014% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LEU   98  11.90 +/- 0.98   0.031% *  0.2644% (0.49   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU   98  13.81 +/- 1.04   0.011% *  0.3295% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 712 (0.58, 9.69, 125.68 ppm):
    9 chemical-shift based assignments, quality = 0.21, support = 4.28, residual support = 56.5:
          QD2   LEU   98 - HN    LEU   98   3.43 +/- 0.89  62.415% * 27.2543% (0.15   4.68  81.72) =  58.411%  kept
          QG2   VAL   41 - HN    LEU   98   4.59 +/- 0.74  16.751% * 48.8787% (0.28   4.66  28.00) =  28.115%  kept
          QD1   LEU  104 - HN    LEU   98   4.94 +/- 0.92  18.672% * 20.9407% (0.31   1.80   6.70) =  13.426%  kept
          QD1   LEU   73 - HN    LEU   98   7.59 +/- 0.92   0.869% *  0.6772% (0.90   0.02   0.02) =   0.020%
          QD2   LEU   63 - HN    LEU   98   8.20 +/- 1.33   0.718% *  0.6307% (0.84   0.02   0.02) =   0.016%
          QD1   LEU   63 - HN    LEU   98   8.13 +/- 0.71   0.502% *  0.6772% (0.90   0.02   0.02) =   0.012%
          QD2   LEU   80 - HN    LEU   98  13.80 +/- 3.13   0.028% *  0.3972% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   98  13.33 +/- 1.01   0.026% *  0.4275% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   98  15.02 +/- 3.11   0.019% *  0.1165% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 4.85, residual support = 62.7:
      O   HB2   PHE   97 - HN    PHE   97   2.60 +/- 0.37  98.454% * 99.6886% (0.95  10.0   4.85  62.71) =  99.999%  kept
          QE    LYS+ 106 - HN    PHE   97   5.75 +/- 0.70   1.378% *  0.0554% (0.53   1.0   0.02   8.66) =   0.001%
          QE    LYS+  99 - HN    PHE   97   9.14 +/- 0.54   0.077% *  0.0639% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   97  13.22 +/- 1.20   0.010% *  0.1017% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    PHE   97  12.18 +/- 1.59   0.027% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    PHE   97   9.75 +/- 0.70   0.050% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    PHE   97  15.56 +/- 1.01   0.003% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 714 (2.63, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.6, residual support = 46.5:
          HG2   MET   96 - HN    PHE   97   3.22 +/- 0.63  99.960% * 99.4690% (0.73   5.60  46.53) = 100.000%  kept
          HB2   PRO   52 - HN    PHE   97  18.47 +/- 2.96   0.017% *  0.4089% (0.84   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HN    PHE   97  14.73 +/- 1.29   0.023% *  0.1221% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 715 (2.38, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.2, residual support = 62.7:
      O   HB3   PHE   97 - HN    PHE   97   3.39 +/- 0.37  98.998% * 99.0693% (0.34  10.0   5.20  62.71) =  99.999%  kept
          HB    VAL  107 - HN    PHE   97   7.68 +/- 0.49   0.920% *  0.0808% (0.28   1.0   0.02   2.48) =   0.001%
          HB2   GLU- 100 - HN    PHE   97  12.17 +/- 0.72   0.056% *  0.1762% (0.61   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   97  16.59 +/- 0.83   0.008% *  0.2426% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    PHE   97  15.54 +/- 0.71   0.013% *  0.1414% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   97  18.78 +/- 2.09   0.005% *  0.2898% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 716 (2.24, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.428, support = 5.61, residual support = 47.8:
          HB2   MET   96 - HN    PHE   97   3.76 +/- 0.29  89.037% * 35.2425% (0.31   6.07  46.53) =  82.252%  kept
          HB2   ASP- 105 - HN    PHE   97   5.75 +/- 0.85  10.695% * 63.3055% (0.98   3.44  53.46) =  17.747%  kept
          HG12  ILE  119 - HN    PHE   97  11.18 +/- 1.18   0.177% *  0.1546% (0.41   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    PHE   97  13.38 +/- 0.75   0.048% *  0.2873% (0.76   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    PHE   97  16.21 +/- 0.74   0.017% *  0.3371% (0.90   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    PHE   97  18.50 +/- 1.46   0.007% *  0.3140% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   97  18.89 +/- 0.76   0.006% *  0.3010% (0.80   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   97  16.95 +/- 1.62   0.013% *  0.0580% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 717 (1.90, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.154, support = 6.07, residual support = 46.5:
          HB3   MET   96 - HN    PHE   97   4.43 +/- 0.12  99.530% * 91.3874% (0.15   6.07  46.53) =  99.993%  kept
          HB3   PRO   58 - HN    PHE   97  17.77 +/- 2.39   0.091% *  1.9114% (0.98   0.02   0.02) =   0.002%
          HB3   GLN   30 - HN    PHE   97  14.08 +/- 0.81   0.104% *  1.4160% (0.73   0.02   0.02) =   0.002%
          HB2   MET   92 - HN    PHE   97  14.73 +/- 0.47   0.076% *  1.6915% (0.87   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    PHE   97  14.14 +/- 1.43   0.122% *  0.7319% (0.38   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    PHE   97  15.09 +/- 0.74   0.068% *  1.0260% (0.53   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    PHE   97  21.81 +/- 1.59   0.008% *  0.7319% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   97  29.93 +/- 3.15   0.001% *  1.1040% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.12 A, kept.
 
    Peak 718 (1.00, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.619, support = 1.36, residual support = 1.36:
          QG2   ILE  103 - HN    PHE   97   3.33 +/- 0.50  91.744% * 48.9185% (0.61   1.38   1.40) =  92.328%  kept
          QD2   LEU   40 - HN    PHE   97   5.51 +/- 0.72   7.717% * 48.2764% (0.76   1.08   0.86) =   7.664%  kept
          QD1   LEU   67 - HN    PHE   97  10.25 +/- 2.91   0.327% *  0.8458% (0.73   0.02   0.02) =   0.006%
          HB    VAL   75 - HN    PHE   97  12.32 +/- 1.35   0.062% *  1.1019% (0.95   0.02   0.02) =   0.001%
          QD1   ILE  119 - HN    PHE   97  10.79 +/- 1.22   0.136% *  0.2905% (0.25   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    PHE   97  15.27 +/- 0.90   0.015% *  0.5670% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 719 (2.52, 9.32, 123.66 ppm):
    5 chemical-shift based assignments, quality = 0.236, support = 4.0, residual support = 12.0:
          HB3   PHE   95 - HN    MET   96   3.63 +/- 0.41  99.686% * 95.7142% (0.24   4.00  11.99) =  99.997%  kept
          HB3   TRP   87 - HN    MET   96  10.63 +/- 1.55   0.264% *  1.0876% (0.54   0.02   0.02) =   0.003%
          HG3   GLN  116 - HN    MET   96  16.40 +/- 0.99   0.018% *  0.9351% (0.46   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    MET   96  18.88 +/- 1.13   0.007% *  1.8830% (0.93   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    MET   96  15.26 +/- 0.88   0.025% *  0.3802% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.05 A, kept.
 
    Peak 720 (2.21, 9.32, 123.66 ppm):
    8 chemical-shift based assignments, quality = 0.944, support = 4.08, residual support = 115.6:
      O   HB2   MET   96 - HN    MET   96   2.93 +/- 0.23  99.672% * 99.6054% (0.94  10.0   4.08 115.57) = 100.000%  kept
          HB2   ASP- 105 - HN    MET   96   8.46 +/- 0.68   0.253% *  0.0448% (0.42   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    MET   96  11.30 +/- 1.12   0.038% *  0.0725% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    MET   96  14.32 +/- 1.38   0.011% *  0.0686% (0.65   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    MET   96  14.89 +/- 0.66   0.006% *  0.0646% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    MET   96  16.27 +/- 0.85   0.004% *  0.0763% (0.72   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    MET   96  13.34 +/- 0.51   0.013% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    MET   96  17.93 +/- 1.07   0.002% *  0.0525% (0.50   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 721 (1.94, 9.32, 123.66 ppm):
    7 chemical-shift based assignments, quality = 0.574, support = 3.97, residual support = 115.6:
      O   HB3   MET   96 - HN    MET   96   2.46 +/- 0.17  99.957% * 99.5022% (0.57  10.0   3.97 115.57) = 100.000%  kept
          HB2   LEU   40 - HN    MET   96  10.84 +/- 0.96   0.018% *  0.1552% (0.89   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    MET   96  11.85 +/- 1.57   0.011% *  0.0863% (0.50   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    MET   96  12.39 +/- 2.11   0.012% *  0.0456% (0.26   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    MET   96  16.86 +/- 1.89   0.002% *  0.1314% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   96  19.85 +/- 1.60   0.000% *  0.0506% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   96  28.50 +/- 3.02   0.000% *  0.0287% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 722 (1.80, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.187, support = 1.5, residual support = 16.4:
          HB    VAL   43 - HN    MET   96   3.71 +/- 0.50  98.974% * 76.2797% (0.19   1.50  16.41) =  99.957%  kept
          HB2   LEU   71 - HN    MET   96  10.00 +/- 0.96   0.381% *  4.4580% (0.82   0.02   0.02) =   0.023%
          HG2   PRO   93 - HN    MET   96  10.72 +/- 0.46   0.229% *  2.5016% (0.46   0.02   0.02) =   0.008%
          QB    LYS+ 102 - HN    MET   96  12.10 +/- 0.43   0.109% *  3.7319% (0.69   0.02   0.29) =   0.005%
          HB2   LYS+  99 - HN    MET   96  11.45 +/- 0.74   0.150% *  1.4289% (0.26   0.02   0.02) =   0.003%
          QB    LYS+  65 - HN    MET   96  13.95 +/- 0.54   0.044% *  4.2927% (0.79   0.02   0.02) =   0.003%
          QB    LYS+  66 - HN    MET   96  12.51 +/- 0.99   0.088% *  1.2815% (0.24   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    MET   96  16.60 +/- 0.76   0.015% *  4.7442% (0.87   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    MET   96  18.25 +/- 1.65   0.011% *  1.2815% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 1 structures by 0.07 A, kept.
 
    Peak 723 (1.19, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.848, support = 1.56, residual support = 2.26:
          QG2   THR   94 - HN    MET   96   4.21 +/- 0.25  99.080% * 95.4925% (0.85   1.56   2.26) =  99.991%  kept
          HB3   LEU   71 - HN    MET   96  10.93 +/- 1.15   0.437% *  1.2944% (0.89   0.02   0.02) =   0.006%
          HD2   LYS+ 112 - HN    MET   96  16.13 +/- 2.50   0.072% *  1.3412% (0.93   0.02   0.02) =   0.001%
          HG12  ILE   89 - HN    MET   96  11.73 +/- 1.59   0.308% *  0.3046% (0.21   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HN    MET   96  16.36 +/- 1.41   0.041% *  1.1869% (0.82   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    MET   96  15.12 +/- 1.97   0.062% *  0.3804% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 724 (0.75, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.757, support = 2.96, residual support = 16.4:
          QG1   VAL   43 - HN    MET   96   3.97 +/- 0.97  93.467% * 96.6032% (0.76   2.96  16.41) =  99.953%  kept
          QD2   LEU  104 - HN    MET   96   9.30 +/- 1.39   2.077% *  0.5925% (0.69   0.02   0.02) =   0.014%
          QG2   THR   46 - HN    MET   96   9.14 +/- 1.07   1.325% *  0.8141% (0.94   0.02   0.02) =   0.012%
          QG1   VAL   41 - HN    MET   96   8.35 +/- 0.66   1.807% *  0.4949% (0.57   0.02   0.02) =   0.010%
          QG2   VAL   18 - HN    MET   96   9.57 +/- 0.91   1.117% *  0.7874% (0.91   0.02   0.02) =   0.010%
          QD1   ILE   19 - HN    MET   96  12.31 +/- 0.97   0.208% *  0.7078% (0.82   0.02   0.02) =   0.002%
    Distance limit 4.64 A violated in 0 structures by 0.13 A, kept.
 
    Peak 725 (0.58, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.716, support = 0.0199, residual support = 0.0529:
          QD1   LEU   63 - HN    MET   96   6.09 +/- 1.20  31.584% * 19.4267% (0.85   0.02   0.02) =  52.011%  kept
          QD2   LEU   63 - HN    MET   96   7.46 +/- 1.17   9.993% * 18.0932% (0.79   0.02   0.02) =  15.326%  kept
          QD1   LEU   73 - HN    MET   96   7.72 +/- 0.65   7.324% * 19.4267% (0.85   0.02   0.02) =  12.060%  kept
          QD2   LEU   98 - HN    MET   96   6.35 +/- 1.16  30.617% *  3.3423% (0.15   0.02   0.40) =   8.674%  kept
          QG2   VAL   41 - HN    MET   96   7.12 +/- 0.78  11.883% *  6.0227% (0.26   0.02   0.02) =   6.067%  kept
          QD1   LEU  104 - HN    MET   96   8.98 +/- 1.22   4.869% *  6.6858% (0.29   0.02   0.02) =   2.759%  kept
          QD2   LEU  115 - HN    MET   96  10.31 +/- 0.96   1.479% * 12.2638% (0.54   0.02   0.02) =   1.537%  kept
          QD2   LEU   80 - HN    MET   96  11.11 +/- 2.68   1.358% * 11.3966% (0.50   0.02   0.02) =   1.312%  kept
          QD1   LEU   80 - HN    MET   96  12.12 +/- 2.75   0.894% *  3.3423% (0.15   0.02   0.02) =   0.253%
    Distance limit 4.57 A violated in 1 structures by 0.31 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 = 0.578, support = 0.02, residual support = 0.02:
          QD1   ILE   89 - HN    MET   96   8.67 +/- 1.40  34.766% * 55.1266% (0.72   0.02   0.02) =  56.353%  kept
          QG2   VAL   83 - HN    MET   96   8.77 +/- 1.79  33.435% * 35.1112% (0.46   0.02   0.02) =  34.519%  kept
          QD2   LEU   31 - HN    MET   96   8.60 +/- 0.68  31.799% *  9.7622% (0.13   0.02   0.02) =   9.128%  kept
    Distance limit 4.43 A violated in 20 structures by 2.42 A, eliminated.
    Peak unassigned.
 
    Peak 727 (3.21, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 3.86, residual support = 73.5:
      O   HB2   PHE   95 - HN    PHE   95   2.49 +/- 0.30 100.000% *100.0000% (0.87  10.0   3.86  73.53) = 100.000%  kept
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 728 (2.54, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.2, residual support = 73.5:
      O   HB3   PHE   95 - HN    PHE   95   3.42 +/- 0.48  99.948% * 99.8580% (0.98  10.0   4.20  73.53) = 100.000%  kept
          HG2   GLN  116 - HN    PHE   95  12.64 +/- 0.76   0.050% *  0.0964% (0.95   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    PHE   95  22.12 +/- 1.38   0.002% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 729 (2.41, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.24, residual support = 45.5:
          HB    VAL  107 - HN    PHE   95   3.69 +/- 0.65  96.087% * 98.3866% (0.99   3.24  45.52) =  99.983%  kept
          HB3   PHE   45 - HN    PHE   95   7.22 +/- 0.75   3.421% *  0.4208% (0.69   0.02   1.89) =   0.015%
          QE    LYS+ 112 - HN    PHE   95  11.32 +/- 1.85   0.437% *  0.4208% (0.69   0.02   0.02) =   0.002%
          QG    GLU-  79 - HN    PHE   95  16.70 +/- 2.27   0.047% *  0.2299% (0.38   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   95  20.51 +/- 1.13   0.005% *  0.4208% (0.69   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   95  22.28 +/- 1.10   0.003% *  0.1212% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.04 A, kept.
 
    Peak 730 (1.18, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.843, support = 4.22, residual support = 15.7:
          QG2   THR   94 - HN    PHE   95   2.23 +/- 0.42  86.671% * 79.5159% (0.87   4.21  14.60) =  96.386%  kept
          QG2   VAL  107 - HN    PHE   95   3.66 +/- 0.83  13.293% * 19.4393% (0.20   4.52  45.52) =   3.614%  kept
          HG13  ILE  103 - HN    PHE   95   9.46 +/- 0.88   0.027% *  0.2639% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HN    PHE   95  12.86 +/- 1.16   0.003% *  0.3902% (0.90   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HN    PHE   95  12.79 +/- 2.24   0.004% *  0.2118% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    PHE   95  14.86 +/- 1.31   0.002% *  0.1789% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 731 (3.96, 8.03, 115.19 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 3.08, residual support = 25.3:
      O   HB    THR   94 - HN    THR   94   2.61 +/- 0.17  99.906% * 98.9931% (0.65  10.0   3.08  25.30) = 100.000%  kept
          HD2   PRO   52 - HN    THR   94  10.31 +/- 1.65   0.045% *  0.0522% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    THR   94  11.79 +/- 0.97   0.015% *  0.1169% (0.76   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    THR   94  13.85 +/- 0.93   0.005% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR   94  13.05 +/- 0.92   0.008% *  0.0745% (0.49   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    THR   94  13.15 +/- 1.46   0.008% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    THR   94  12.45 +/- 0.64   0.009% *  0.0268% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    THR   94  17.77 +/- 1.32   0.001% *  0.1413% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    THR   94  17.80 +/- 0.93   0.001% *  0.1448% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    THR   94  17.64 +/- 1.04   0.001% *  0.0866% (0.57   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    THR   94  20.32 +/- 1.06   0.001% *  0.1477% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    THR   94  21.68 +/- 0.94   0.000% *  0.0303% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 732 (3.06, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 27.1:
          HB2   PHE   45 - HN    THR   94   3.68 +/- 1.41  98.564% * 98.8926% (0.95   2.96  27.12) =  99.990%  kept
          QE    LYS+ 111 - HN    THR   94  11.67 +/- 1.45   1.292% *  0.7071% (1.00   0.02   0.02) =   0.009%
          HB2   CYS   21 - HN    THR   94  14.22 +/- 1.75   0.144% *  0.4003% (0.57   0.02   0.02) =   0.001%
    Distance limit 4.06 A violated in 8 structures by 0.50 A, kept.
 
    Peak 733 (2.44, 8.03, 115.19 ppm):
    8 chemical-shift based assignments, quality = 0.562, support = 1.5, residual support = 26.8:
          HB3   PHE   45 - HN    THR   94   3.77 +/- 0.79  94.278% * 72.7689% (0.57   1.50  27.12) =  98.998%  kept
          HB    VAL  107 - HN    THR   94   7.32 +/- 0.79   3.239% * 20.9780% (0.20   1.24   0.02) =   0.980%  kept
          HG3   MET   96 - HN    THR   94   8.96 +/- 1.12   2.067% *  0.4765% (0.28   0.02   2.26) =   0.014%
          QE    LYS+ 112 - HN    THR   94  11.98 +/- 2.03   0.260% *  0.9703% (0.57   0.02   0.02) =   0.004%
          HB3   ASP-  86 - HN    THR   94  12.99 +/- 1.45   0.093% *  1.6986% (0.99   0.02   0.02) =   0.002%
          HB3   ASP-  62 - HN    THR   94  13.85 +/- 1.26   0.058% *  1.1772% (0.69   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HN    THR   94  21.56 +/- 1.02   0.004% *  1.6986% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    THR   94  25.84 +/- 1.49   0.001% *  0.2319% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.05 A, kept.
 
    Peak 734 (2.06, 8.03, 115.19 ppm):
    11 chemical-shift based assignments, quality = 0.98, support = 4.4, residual support = 15.6:
      O   HB2   PRO   93 - HN    THR   94   3.95 +/- 0.12  94.344% * 99.5171% (0.98  10.0   4.40  15.60) =  99.996%  kept
          HB    VAL  108 - HN    THR   94   7.38 +/- 1.54   4.826% *  0.0697% (0.69   1.0   0.02   0.02) =   0.004%
          HG3   PRO   52 - HN    THR   94  10.85 +/- 2.52   0.498% *  0.0417% (0.41   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    THR   94  12.98 +/- 1.51   0.110% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    THR   94  12.52 +/- 1.59   0.139% *  0.0417% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   94  14.27 +/- 1.00   0.048% *  0.0455% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    THR   94  16.56 +/- 0.94   0.019% *  0.0455% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    THR   94  18.21 +/- 1.27   0.011% *  0.0201% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    THR   94  22.82 +/- 1.88   0.003% *  0.0494% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   94  22.30 +/- 0.70   0.003% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    THR   94  31.51 +/- 3.11   0.001% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 735 (1.36, 8.03, 115.19 ppm):
    16 chemical-shift based assignments, quality = 0.894, support = 2.73, residual support = 15.5:
      O   HB3   PRO   93 - HN    THR   94   3.75 +/- 0.20  85.374% * 94.6436% (0.90  10.0   2.74  15.60) =  99.264%  kept
          HB3   ASP-  44 - HN    THR   94   5.67 +/- 1.24  13.213% *  4.5262% (0.49   1.0   1.76   0.02) =   0.735%  kept
          QB    ALA   84 - HN    THR   94   9.78 +/- 1.23   0.402% *  0.0915% (0.87   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    THR   94  10.64 +/- 1.19   0.283% *  0.0915% (0.87   1.0   0.02   0.94) =   0.000%
          HB3   LEU   73 - HN    THR   94  10.97 +/- 1.01   0.183% *  0.0683% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   94  11.50 +/- 1.72   0.193% *  0.0396% (0.38   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    THR   94  11.81 +/- 0.71   0.108% *  0.0597% (0.57   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    THR   94  13.29 +/- 1.57   0.053% *  0.0806% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    THR   94  12.40 +/- 2.19   0.115% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    THR   94  13.72 +/- 1.34   0.041% *  0.0806% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    THR   94  17.40 +/- 1.65   0.012% *  0.0597% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    THR   94  19.47 +/- 1.61   0.005% *  0.0725% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    THR   94  20.01 +/- 1.42   0.005% *  0.0683% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   94  17.75 +/- 0.89   0.008% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    THR   94  21.25 +/- 0.96   0.003% *  0.0514% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR   94  23.12 +/- 2.64   0.002% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 736 (1.21, 8.03, 115.19 ppm):
    7 chemical-shift based assignments, quality = 0.343, support = 3.5, residual support = 25.2:
          QG2   THR   94 - HN    THR   94   3.76 +/- 0.19  98.564% * 65.5870% (0.34   3.52  25.30) =  99.492%  kept
          HG12  ILE   89 - HN    THR   94   8.80 +/- 1.32   1.045% * 31.3251% (0.76   0.75   3.49) =   0.504%  kept
          HG3   LYS+ 111 - HN    THR   94  11.95 +/- 1.83   0.141% *  0.9130% (0.84   0.02   0.02) =   0.002%
          HD2   LYS+ 112 - HN    THR   94  13.51 +/- 2.58   0.157% *  0.7937% (0.73   0.02   0.02) =   0.002%
          HB3   LYS+ 112 - HN    THR   94  13.91 +/- 1.41   0.062% *  0.3374% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    THR   94  15.97 +/- 1.28   0.020% *  0.8752% (0.80   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    THR   94  17.17 +/- 0.81   0.012% *  0.1687% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 737 (0.64, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.896, support = 0.75, residual support = 3.49:
          QG2   ILE   89 - HN    THR   94   5.54 +/- 1.25  93.832% * 99.1801% (0.90   0.75   3.49) =  99.946%  kept
          QG1   VAL   83 - HN    THR   94   9.84 +/- 1.49   6.168% *  0.8199% (0.28   0.02   0.02) =   0.054%
    Distance limit 4.52 A violated in 11 structures by 1.11 A, kept.
 
    Peak 738 (2.27, 8.46, 118.59 ppm):
    9 chemical-shift based assignments, quality = 0.166, support = 3.91, residual support = 61.4:
          HG3   MET   92 - HN    MET   92   3.95 +/- 0.51  96.454% * 40.3551% (0.14   4.04  64.16) =  95.750%  kept
          QG    GLN   90 - HN    MET   92   7.47 +/- 0.70   3.330% * 51.8003% (0.87   0.81   0.02) =   4.243%  kept
          HB2   ASP-  44 - HN    MET   92  12.37 +/- 1.39   0.173% *  1.4458% (0.98   0.02   0.02) =   0.006%
          HB3   PHE   72 - HN    MET   92  18.21 +/- 1.13   0.013% *  1.3616% (0.92   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    MET   92  16.40 +/- 1.00   0.023% *  0.7760% (0.53   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    MET   92  24.62 +/- 1.55   0.002% *  1.4750% (1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    MET   92  25.24 +/- 1.35   0.002% *  1.4234% (0.97   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    MET   92  24.81 +/- 1.42   0.002% *  0.2919% (0.20   0.02   0.02) =   0.000%
          QB    MET   11 - HN    MET   92  32.88 +/- 2.82   0.000% *  1.0710% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.10 A, kept.
 
    Peak 739 (1.89, 8.46, 118.59 ppm):
    11 chemical-shift based assignments, quality = 0.998, support = 3.94, residual support = 64.2:
      O   HB2   MET   92 - HN    MET   92   2.25 +/- 0.39  99.656% * 99.5386% (1.00  10.0   3.94  64.16) = 100.000%  kept
          HB3   GLN   90 - HN    MET   92   7.00 +/- 0.57   0.301% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    MET   92  11.24 +/- 2.69   0.018% *  0.0645% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    MET   92  10.78 +/- 0.75   0.011% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    MET   92  13.92 +/- 2.48   0.012% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   92  17.74 +/- 1.65   0.001% *  0.0963% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   92  21.59 +/- 1.20   0.000% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   92  29.23 +/- 0.67   0.000% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    MET   92  24.21 +/- 0.94   0.000% *  0.0135% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   92  28.33 +/- 1.56   0.000% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   92  36.98 +/- 3.40   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 740 (1.71, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 4.29, residual support = 64.2:
      O   HB3   MET   92 - HN    MET   92   3.41 +/- 0.24  95.315% * 99.1115% (0.57  10.0   4.29  64.16) =  99.998%  kept
          HB    ILE   89 - HN    MET   92   7.87 +/- 1.33   2.578% *  0.0437% (0.25   1.0   0.02   0.02) =   0.001%
          HG3   PRO   93 - HN    MET   92   6.83 +/- 0.13   1.655% *  0.0346% (0.20   1.0   0.02   1.69) =   0.001%
          QG1   ILE   56 - HN    MET   92  10.13 +/- 2.22   0.287% *  0.1338% (0.76   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    MET   92  12.07 +/- 1.24   0.060% *  0.1570% (0.90   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    MET   92  12.55 +/- 2.37   0.094% *  0.0785% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    MET   92  17.07 +/- 1.23   0.008% *  0.1271% (0.73   1.0   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    MET   92  22.53 +/- 0.58   0.001% *  0.1616% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    MET   92  23.28 +/- 0.47   0.001% *  0.1132% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    MET   92  24.05 +/- 1.21   0.001% *  0.0390% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 741 (1.25, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 3.55, residual support = 14.2:
          QB    ALA   91 - HN    MET   92   2.51 +/- 0.56  99.600% * 96.7034% (1.00   3.55  14.22) =  99.998%  kept
          QG2   ILE   56 - HN    MET   92   8.74 +/- 2.38   0.363% *  0.3746% (0.69   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HN    MET   92  13.39 +/- 1.65   0.027% *  0.3528% (0.65   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    MET   92  16.36 +/- 1.80   0.007% *  0.1079% (0.20   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    MET   92  21.48 +/- 1.03   0.001% *  0.5442% (1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    MET   92  19.68 +/- 0.70   0.001% *  0.2655% (0.49   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    MET   92  22.95 +/- 1.36   0.001% *  0.4731% (0.87   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    MET   92  23.13 +/- 1.09   0.000% *  0.3308% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    MET   92  24.99 +/- 0.72   0.000% *  0.3746% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    MET   92  29.90 +/- 1.20   0.000% *  0.4731% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.02 A, kept.
 
    Peak 742 (3.88, 7.72, 122.85 ppm):
    12 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 7.79:
          HA    ILE   89 - HN    ALA   91   3.47 +/- 0.53  99.493% * 96.1985% (0.61   2.49   7.79) = 100.000%  kept
          HB3   SER   82 - HN    TRP   27   9.98 +/- 1.83   0.364% *  0.0276% (0.02   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ALA   91  13.79 +/- 0.73   0.042% *  0.2233% (0.18   0.02   0.02) =   0.000%
          HB    THR  118 - HN    ALA   91  17.57 +/- 1.32   0.008% *  1.2060% (0.95   0.02   0.02) =   0.000%
          HB    THR   39 - HN    TRP   27  13.40 +/- 0.66   0.043% *  0.0706% (0.06   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    TRP   27  14.62 +/- 0.53   0.025% *  0.0955% (0.07   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    TRP   27  16.43 +/- 2.12   0.010% *  0.0955% (0.07   0.02   0.02) =   0.000%
          QB    SER   13 - HN    TRP   27  17.01 +/- 2.82   0.012% *  0.0648% (0.05   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ALA   91  25.22 +/- 1.88   0.001% *  0.5716% (0.45   0.02   0.02) =   0.000%
          HB    THR  118 - HN    TRP   27  22.47 +/- 1.63   0.002% *  0.1490% (0.12   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ALA   91  28.31 +/- 1.77   0.000% *  0.7733% (0.61   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ALA   91  28.22 +/- 2.46   0.000% *  0.5241% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.08 A, kept.
 
    Peak 743 (2.17, 7.72, 122.85 ppm):
    14 chemical-shift based assignments, quality = 0.719, support = 4.96, residual support = 31.8:
          HB2   GLN   90 - HN    ALA   91   4.15 +/- 0.78  59.855% * 95.8531% (0.73   4.97  32.10) =  98.988%  kept
          HB2   GLU-  25 - HN    TRP   27   4.93 +/- 0.16  24.969% *  2.3134% (0.02   3.56   0.36) =   0.997%  kept
          HG3   GLU-  29 - HN    TRP   27   6.05 +/- 0.53   8.434% *  0.0589% (0.11   0.02   0.02) =   0.009%
          HB3   GLU-  79 - HN    ALA   91  13.04 +/- 2.33   2.310% *  0.1051% (0.20   0.02   0.02) =   0.004%
          HB3   GLU-  29 - HN    TRP   27   6.93 +/- 0.44   3.978% *  0.0345% (0.07   0.02   0.02) =   0.002%
          HB3   GLU-  79 - HN    TRP   27  10.66 +/- 1.67   0.355% *  0.0130% (0.02   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    TRP   27  13.09 +/- 0.31   0.073% *  0.0164% (0.03   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   91  23.47 +/- 1.27   0.002% *  0.4764% (0.90   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ALA   91  20.11 +/- 1.32   0.006% *  0.1051% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    TRP   27  18.63 +/- 0.40   0.009% *  0.0621% (0.12   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ALA   91  24.51 +/- 1.25   0.002% *  0.2795% (0.53   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    TRP   27  19.77 +/- 1.16   0.006% *  0.0477% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    ALA   91  30.15 +/- 1.54   0.001% *  0.5025% (0.95   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    ALA   91  26.61 +/- 1.43   0.001% *  0.1324% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 744 (1.86, 7.72, 122.85 ppm):
    28 chemical-shift based assignments, quality = 0.991, support = 4.97, residual support = 32.1:
          HB3   GLN   90 - HN    ALA   91   3.72 +/- 0.65  73.651% * 96.1771% (0.99   4.97  32.10) =  99.990%  kept
          HB2   MET   92 - HN    ALA   91   6.04 +/- 0.79   4.363% *  0.0602% (0.15   0.02  14.22) =   0.004%
          HB3   GLN   30 - HN    TRP   27   5.09 +/- 0.74  20.938% *  0.0120% (0.03   0.02   0.02) =   0.004%
          QB    LYS+  81 - HN    ALA   91  11.01 +/- 1.44   0.137% *  0.3768% (0.97   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    ALA   91  12.07 +/- 1.62   0.129% *  0.3694% (0.95   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HN    ALA   91  14.55 +/- 2.02   0.049% *  0.3768% (0.97   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    TRP   27   9.37 +/- 0.46   0.370% *  0.0482% (0.12   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ALA   91  11.68 +/- 3.13   0.152% *  0.0974% (0.25   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   91  13.86 +/- 2.49   0.049% *  0.2211% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    TRP   27  12.33 +/- 1.51   0.091% *  0.0466% (0.12   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   91  18.60 +/- 2.42   0.010% *  0.3694% (0.95   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   91  19.07 +/- 1.67   0.007% *  0.3827% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ALA   91  23.40 +/- 1.43   0.002% *  0.3905% (1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    TRP   27  16.25 +/- 1.10   0.013% *  0.0456% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   91  20.47 +/- 1.67   0.004% *  0.0974% (0.25   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    TRP   27  18.43 +/- 1.57   0.006% *  0.0456% (0.12   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   91  27.69 +/- 2.43   0.001% *  0.3604% (0.92   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    TRP   27  19.45 +/- 1.29   0.005% *  0.0478% (0.12   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    TRP   27  20.43 +/- 1.49   0.004% *  0.0473% (0.12   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    TRP   27  21.43 +/- 1.17   0.003% *  0.0445% (0.11   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    TRP   27  22.87 +/- 2.92   0.002% *  0.0466% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    TRP   27  18.70 +/- 0.47   0.005% *  0.0198% (0.05   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ALA   91  26.59 +/- 1.77   0.001% *  0.0974% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   91  29.23 +/- 1.54   0.000% *  0.1605% (0.41   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    TRP   27  21.91 +/- 1.55   0.002% *  0.0273% (0.07   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    TRP   27  20.56 +/- 1.41   0.003% *  0.0074% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    TRP   27  23.84 +/- 1.35   0.001% *  0.0120% (0.03   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    TRP   27  27.55 +/- 2.05   0.001% *  0.0120% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.18 A, kept.
 
    Peak 745 (1.26, 7.72, 122.85 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 3.62, residual support = 14.6:
      O   QB    ALA   91 - HN    ALA   91   2.32 +/- 0.17  97.534% * 99.2924% (0.92  10.0   3.62  14.57) = 100.000%  kept
          QG2   THR   23 - HN    TRP   27   4.93 +/- 0.94   2.366% *  0.0055% (0.05   1.0   0.02   0.94) =   0.000%
          QG2   ILE   56 - HN    ALA   91  10.80 +/- 2.21   0.018% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    TRP   27   9.10 +/- 0.41   0.031% *  0.0102% (0.09   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   91  13.25 +/- 2.11   0.005% *  0.0404% (0.38   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   91  14.54 +/- 1.42   0.002% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    TRP   27  12.13 +/- 0.99   0.007% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    TRP   27  10.97 +/- 0.68   0.010% *  0.0081% (0.07   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    TRP   27  11.44 +/- 2.01   0.012% *  0.0045% (0.04   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    TRP   27  10.87 +/- 0.76   0.011% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   91  19.23 +/- 1.25   0.000% *  0.0822% (0.76   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   91  21.55 +/- 1.23   0.000% *  0.0993% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    TRP   27  15.89 +/- 0.95   0.001% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    TRP   27  17.13 +/- 1.74   0.001% *  0.0123% (0.11   1.0   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   91  22.70 +/- 1.83   0.000% *  0.0652% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    TRP   27  18.80 +/- 0.78   0.000% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   91  22.96 +/- 1.82   0.000% *  0.0367% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   91  25.45 +/- 1.66   0.000% *  0.0442% (0.41   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   91  29.70 +/- 1.80   0.000% *  0.1073% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    TRP   27  18.59 +/- 1.32   0.000% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 747 (2.48, 6.80, 112.00 ppm):
    8 chemical-shift based assignments, quality = 0.323, support = 0.0199, residual support = 0.0199:
          HG2   GLU-  36 - HE22  GLN   32   8.57 +/- 1.24  74.557% *  7.7282% (0.20   0.02   0.02) =  55.699%  kept
          HB3   TRP   87 - HE22  GLN   90  10.67 +/- 0.72  23.723% * 18.6359% (0.49   0.02   0.02) =  42.736%  kept
          HG3   MET   96 - HE22  GLN   90  19.29 +/- 2.59   0.806% * 11.8170% (0.31   0.02   0.02) =   0.921%  kept
          HG3   MET   96 - HE22  GLN   32  20.73 +/- 1.34   0.491% *  4.5337% (0.12   0.02   0.02) =   0.215%
          HB3   TRP   87 - HE22  GLN   32  22.90 +/- 2.10   0.311% *  7.1499% (0.19   0.02   0.02) =   0.215%
          HG3   GLN  116 - HE22  GLN   90  27.81 +/- 2.57   0.073% * 21.6759% (0.57   0.02   0.02) =   0.154%
          HG2   GLU-  36 - HE22  GLN   90  34.11 +/- 2.49   0.025% * 20.1433% (0.53   0.02   0.02) =   0.048%
          HG3   GLN  116 - HE22  GLN   32  36.68 +/- 1.49   0.014% *  8.3162% (0.22   0.02   0.02) =   0.011%
    Distance limit 5.50 A violated in 19 structures by 2.60 A, eliminated.
    Peak unassigned.
 
    Peak 748 (4.63, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.175, support = 5.16, residual support = 159.3:
      O   HA    LYS+ 102 - HN    LYS+ 102   2.93 +/- 0.00  99.990% * 99.2019% (0.18  10.0   5.16 159.26) = 100.000%  kept
          HA    LEU   71 - HN    LYS+ 102  14.21 +/- 1.44   0.009% *  0.2329% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LYS+ 102  20.93 +/- 1.37   0.001% *  0.5652% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 749 (4.15, 7.76, 120.90 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 3.12, residual support = 12.5:
      O   HA1   GLY  101 - HN    LYS+ 102   3.26 +/- 0.14  99.877% * 99.3899% (0.61  10.0   3.12  12.50) = 100.000%  kept
          HA    ALA   34 - HN    LYS+ 102  10.95 +/- 1.54   0.093% *  0.0674% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+ 102  14.42 +/- 1.65   0.017% *  0.0409% (0.25   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+ 102  19.57 +/- 1.64   0.002% *  0.1624% (0.99   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+ 102  20.23 +/- 1.40   0.002% *  0.1252% (0.76   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+ 102  24.03 +/- 2.65   0.002% *  0.0928% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+ 102  18.71 +/- 0.78   0.003% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+ 102  20.68 +/- 1.20   0.002% *  0.0506% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    LYS+ 102  20.14 +/- 1.70   0.002% *  0.0253% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 750 (3.54, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 3.12, residual support = 12.5:
      O   HA2   GLY  101 - HN    LYS+ 102   3.16 +/- 0.54  99.988% * 99.6785% (0.28  10.0   3.12  12.50) = 100.000%  kept
          HB2   TRP   27 - HN    LYS+ 102  16.53 +/- 1.91   0.011% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    LYS+ 102  22.87 +/- 0.65   0.001% *  0.1607% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 0.76, support = 0.02, residual support = 0.02:
          QB    GLU- 114 - HN    LYS+ 102  17.79 +/- 1.20  15.723% * 12.0512% (0.84   0.02   0.02) =  19.801%  kept
          QB    GLU-  15 - HN    LYS+ 102  19.08 +/- 2.33  11.295% * 13.6482% (0.95   0.02   0.02) =  16.109%  kept
          HG2   PRO   68 - HN    LYS+ 102  17.98 +/- 2.15  14.995% *  9.9106% (0.69   0.02   0.02) =  15.529%  kept
          HB    ILE   19 - HN    LYS+ 102  18.02 +/- 1.37  13.162% * 11.0262% (0.76   0.02   0.02) =  15.166%  kept
          HB3   PRO   68 - HN    LYS+ 102  18.83 +/- 2.13  11.320% *  8.7509% (0.61   0.02   0.02) =  10.352%  kept
          HG3   GLN   30 - HN    LYS+ 102  16.56 +/- 2.01  23.599% *  3.5976% (0.25   0.02   0.02) =   8.872%  kept
          HB3   GLU-  25 - HN    LYS+ 102  22.26 +/- 1.68   3.701% * 14.4279% (1.00   0.02   0.02) =   5.580%  kept
          HB2   LYS+ 111 - HN    LYS+ 102  23.09 +/- 2.31   3.483% * 12.9393% (0.90   0.02   0.02) =   4.710%  kept
          HB2   GLN   17 - HN    LYS+ 102  23.37 +/- 1.18   2.722% * 13.6482% (0.95   0.02   0.02) =   3.881%  kept
    Distance limit 4.44 A violated in 20 structures by 8.26 A, eliminated.
    Peak unassigned.
 
    Peak 752 (1.81, 7.76, 120.90 ppm):
    10 chemical-shift based assignments, quality = 0.98, support = 4.64, residual support = 159.3:
      O   QB    LYS+ 102 - HN    LYS+ 102   2.55 +/- 0.09  98.917% * 99.4444% (0.98  10.0   4.64 159.26) =  99.999%  kept
          HG12  ILE  103 - HN    LYS+ 102   6.04 +/- 0.71   0.752% *  0.0455% (0.45   1.0   0.02  22.44) =   0.000%
          HB    VAL   41 - HN    LYS+ 102   7.52 +/- 1.70   0.315% *  0.0615% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+ 102  11.91 +/- 1.53   0.013% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LYS+ 102  16.81 +/- 1.39   0.001% *  0.0812% (0.80   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LYS+ 102  20.19 +/- 0.98   0.000% *  0.0937% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+ 102  26.08 +/- 3.74   0.001% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+ 102  22.51 +/- 0.73   0.000% *  0.0994% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+ 102  19.84 +/- 2.70   0.001% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+ 102  23.47 +/- 1.36   0.000% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 753 (1.42, 7.76, 120.90 ppm):
    12 chemical-shift based assignments, quality = 0.278, support = 3.84, residual support = 114.0:
          HG2   LYS+ 102 - HN    LYS+ 102   3.75 +/- 0.46  57.340% * 59.9617% (0.28   4.42 159.26) =  71.117%  kept
          QB    LEU   98 - HN    LYS+ 102   4.14 +/- 0.94  42.566% * 32.8040% (0.28   2.42   2.67) =  28.882%  kept
          HD3   LYS+ 121 - HN    LYS+ 102  15.17 +/- 2.86   0.027% *  0.5529% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+ 102  16.50 +/- 2.72   0.014% *  0.7463% (0.76   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+ 102  13.89 +/- 1.39   0.028% *  0.3665% (0.38   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+ 102  17.90 +/- 1.57   0.007% *  0.5529% (0.57   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LYS+ 102  19.70 +/- 2.12   0.003% *  0.9744% (1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+ 102  19.60 +/- 1.17   0.003% *  0.8758% (0.90   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+ 102  21.73 +/- 4.36   0.003% *  0.9680% (0.99   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+ 102  20.31 +/- 0.80   0.002% *  0.9744% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 102  21.91 +/- 3.73   0.002% *  0.7092% (0.73   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 102  20.70 +/- 1.18   0.002% *  0.5138% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.05 A, kept.
 
    Peak 754 (0.74, 7.76, 120.90 ppm):
    7 chemical-shift based assignments, quality = 0.393, support = 2.06, residual support = 1.91:
          QD1   LEU   98 - HN    LYS+ 102   4.61 +/- 1.42  38.550% * 66.7796% (0.18   2.81   2.67) =  71.211%  kept
          QD2   LEU  104 - HN    LYS+ 102   4.45 +/- 0.94  43.103% * 23.7444% (0.95   0.19   0.02) =  28.311%  kept
          QG1   VAL   41 - HN    LYS+ 102   5.67 +/- 1.37  17.805% *  0.9244% (0.34   0.02   0.02) =   0.455%
          QG1   VAL   43 - HN    LYS+ 102   9.57 +/- 1.53   0.504% *  1.4258% (0.53   0.02   0.02) =   0.020%
          QD1   ILE   19 - HN    LYS+ 102  16.23 +/- 1.65   0.016% *  2.7040% (1.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    LYS+ 102  17.24 +/- 1.28   0.011% *  2.0711% (0.76   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    LYS+ 102  18.74 +/- 1.48   0.010% *  2.3507% (0.87   0.02   0.02) =   0.001%
    Distance limit 4.22 A violated in 0 structures by 0.07 A, kept.
 
    Peak 755 (3.88, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 6.37, residual support = 40.7:
      O   HA    ILE   89 - HN    GLN   90   2.87 +/- 0.48  99.965% * 99.5753% (0.61  10.0   6.37  40.73) = 100.000%  kept
          HB3   SER   82 - HN    GLN   90  12.10 +/- 0.82   0.032% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    GLN   90  19.12 +/- 1.36   0.002% *  0.1553% (0.95   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   90  25.23 +/- 2.03   0.000% *  0.0736% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   90  28.11 +/- 1.94   0.000% *  0.0996% (0.61   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   90  28.26 +/- 3.20   0.000% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.18 A, kept.
 
    Peak 756 (2.26, 8.62, 127.39 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 6.03, residual support = 95.6:
          QG    GLN   90 - HN    GLN   90   2.52 +/- 0.55  98.806% * 97.9328% (0.90   6.03  95.63) =  99.997%  kept
          HG3   MET   92 - HN    GLN   90   8.86 +/- 2.17   1.178% *  0.2198% (0.61   0.02   0.02) =   0.003%
          HB2   ASP-  44 - HN    GLN   90  13.37 +/- 2.28   0.012% *  0.2632% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLN   90  19.06 +/- 2.42   0.001% *  0.3027% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLN   90  20.44 +/- 1.20   0.001% *  0.3592% (0.99   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLN   90  19.71 +/- 1.78   0.001% *  0.0904% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLN   90  22.19 +/- 1.86   0.000% *  0.2632% (0.73   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    GLN   90  25.24 +/- 2.49   0.000% *  0.2770% (0.76   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    GLN   90  25.21 +/- 2.14   0.000% *  0.2198% (0.61   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLN   90  32.26 +/- 4.32   0.000% *  0.0717% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 758 (1.87, 8.62, 127.39 ppm):
    13 chemical-shift based assignments, quality = 0.923, support = 5.59, residual support = 95.6:
      O   HB3   GLN   90 - HN    GLN   90   3.42 +/- 0.43  98.270% * 99.1031% (0.92  10.0   5.59  95.63) =  99.999%  kept
          HB2   MET   92 - HN    GLN   90   8.11 +/- 1.43   1.228% *  0.0403% (0.38   1.0   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    GLN   90   9.42 +/- 1.29   0.376% *  0.1036% (0.97   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    GLN   90  13.04 +/- 1.85   0.061% *  0.1052% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   90  16.06 +/- 2.41   0.026% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   90  15.64 +/- 2.32   0.018% *  0.0931% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   90  19.01 +/- 2.76   0.008% *  0.0737% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   90  20.20 +/- 1.85   0.003% *  0.0820% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    GLN   90  19.94 +/- 2.03   0.004% *  0.0565% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    GLN   90  22.97 +/- 1.68   0.001% *  0.0931% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   90  21.57 +/- 2.47   0.003% *  0.0239% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   90  28.41 +/- 2.70   0.000% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   90  29.26 +/- 1.70   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.08 A, kept.
 
    Peak 759 (0.64, 8.62, 127.39 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 7.23, residual support = 40.7:
          QG2   ILE   89 - HN    GLN   90   2.72 +/- 0.82 100.000% *100.0000% (0.65   7.23  40.73) = 100.000%  kept
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 760 (0.11, 8.62, 127.39 ppm):
    4 chemical-shift based assignments, quality = 0.487, support = 5.82, residual support = 40.7:
          QD1   ILE   89 - HN    GLN   90   4.13 +/- 0.43  91.324% * 99.5411% (0.49   5.82  40.73) =  99.983%  kept
          QG2   VAL   83 - HN    GLN   90   6.74 +/- 0.77   6.701% *  0.1752% (0.25   0.02   0.02) =   0.013%
          QG2   VAL   75 - HN    GLN   90   9.33 +/- 2.24   1.937% *  0.1752% (0.25   0.02   0.02) =   0.004%
          QG2   VAL   42 - HN    GLN   90  15.80 +/- 1.44   0.038% *  0.1084% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.07 A, kept.
 
    Peak 761 (3.98, 7.91, 118.70 ppm):
    13 chemical-shift based assignments, quality = 0.991, support = 4.13, residual support = 9.61:
      O   HA    ALA   88 - HN    ILE   89   3.23 +/- 0.22  97.922% * 99.4024% (0.99  10.0   4.13   9.61) =  99.999%  kept
          QB    SER   85 - HN    ILE   89   6.24 +/- 0.42   1.929% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   89  10.32 +/- 0.72   0.098% *  0.0649% (0.65   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   89  13.77 +/- 2.07   0.027% *  0.0968% (0.97   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ILE   89  14.73 +/- 2.31   0.017% *  0.0870% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ILE   89  21.71 +/- 2.05   0.001% *  0.0983% (0.98   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ILE   89  20.08 +/- 1.67   0.002% *  0.0568% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   89  20.36 +/- 1.50   0.002% *  0.0528% (0.53   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   89  24.55 +/- 1.90   0.001% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   89  22.84 +/- 0.83   0.001% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ILE   89  23.11 +/- 1.74   0.001% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ILE   89  25.77 +/- 1.58   0.000% *  0.0279% (0.28   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ILE   89  27.44 +/- 1.68   0.000% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.05 A, kept.
 
    Peak 762 (3.89, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 6.03, residual support = 218.2:
      O   HA    ILE   89 - HN    ILE   89   2.60 +/- 0.22  99.998% * 99.5011% (0.34  10.0   6.03 218.16) = 100.000%  kept
          HB    THR  118 - HN    ILE   89  19.00 +/- 1.16   0.001% *  0.2118% (0.73   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    ILE   89  18.36 +/- 1.76   0.001% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE   89  23.28 +/- 1.98   0.000% *  0.0649% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE   89  25.97 +/- 1.92   0.000% *  0.0995% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE   89  27.79 +/- 2.92   0.000% *  0.0577% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (1.75, 7.91, 118.70 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.6, residual support = 218.2:
      O   HB    ILE   89 - HN    ILE   89   2.83 +/- 0.59  99.858% * 99.6919% (0.45  10.0   5.60 218.16) = 100.000%  kept
          HB    VAL   43 - HN    ILE   89  11.42 +/- 1.65   0.080% *  0.1170% (0.53   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    ILE   89  10.19 +/- 1.26   0.061% *  0.0997% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ILE   89  21.97 +/- 2.48   0.001% *  0.0914% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.10 A, kept.
 
    Peak 764 (1.23, 7.91, 118.70 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.79, residual support = 218.2:
          HG12  ILE   89 - HN    ILE   89   2.63 +/- 0.75  97.513% * 97.9256% (0.76   5.79 218.16) =  99.996%  kept
          QB    ALA   91 - HN    ILE   89   5.91 +/- 1.15   2.467% *  0.1366% (0.31   0.02   7.79) =   0.004%
          HG2   LYS+  74 - HN    ILE   89  13.99 +/- 2.10   0.012% *  0.3840% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   89  18.26 +/- 2.33   0.004% *  0.3041% (0.69   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   89  21.31 +/- 2.16   0.001% *  0.3970% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   89  23.61 +/- 2.26   0.001% *  0.3698% (0.84   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   89  22.02 +/- 1.88   0.001% *  0.2864% (0.65   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   89  20.21 +/- 1.50   0.001% *  0.1366% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   89  27.06 +/- 2.43   0.000% *  0.0599% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.11 A, kept.
 
    Peak 765 (0.63, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.54, residual support = 218.2:
          QG2   ILE   89 - HN    ILE   89   3.49 +/- 0.46  97.777% * 99.7925% (1.00   6.54 218.16) =  99.996%  kept
          QG1   VAL   83 - HN    ILE   89   6.96 +/- 0.49   2.192% *  0.1604% (0.53   0.02   0.02) =   0.004%
          QD1   LEU  104 - HN    ILE   89  17.75 +/- 3.25   0.031% *  0.0471% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 5.55, residual support = 218.2:
          HG13  ILE   89 - HN    ILE   89   3.61 +/- 0.56 100.000% *100.0000% (0.90   5.55 218.16) = 100.000%  kept
    Distance limit 3.78 A violated in 0 structures by 0.12 A, kept.
 
    Peak 768 (3.99, 7.82, 121.71 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 1.63, residual support = 12.2:
      O   HA    ALA   88 - HN    ALA   88   2.25 +/- 0.12  99.968% * 99.0917% (0.84  10.0   1.63  12.20) = 100.000%  kept
          HB2   SER   82 - HN    ALA   88   9.00 +/- 0.54   0.027% *  0.1303% (0.90   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   88  15.34 +/- 2.46   0.003% *  0.1425% (0.98   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   88  16.97 +/- 2.48   0.001% *  0.0882% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ALA   88  19.78 +/- 1.39   0.000% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA   88  21.21 +/- 2.24   0.000% *  0.1164% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   88  21.49 +/- 1.31   0.000% *  0.1214% (0.84   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ALA   88  24.39 +/- 1.93   0.000% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   88  24.16 +/- 1.69   0.000% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   88  25.08 +/- 0.99   0.000% *  0.0496% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 769 (1.33, 7.82, 121.71 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 2.08, residual support = 12.2:
      O   QB    ALA   88 - HN    ALA   88   2.86 +/- 0.19  93.923% * 99.1209% (0.73  10.0   2.08  12.20) =  99.998%  kept
          QB    ALA   84 - HN    ALA   88   4.68 +/- 0.21   5.433% *  0.0211% (0.15   1.0   0.02   0.02) =   0.001%
          QG2   THR   77 - HN    ALA   88   7.43 +/- 1.74   0.476% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA   88   9.04 +/- 1.09   0.152% *  0.0938% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   88  14.54 +/- 1.24   0.007% *  0.0612% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   88  17.18 +/- 2.11   0.003% *  0.1140% (0.84   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   88  16.71 +/- 3.12   0.004% *  0.0304% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   88  20.75 +/- 2.45   0.001% *  0.1224% (0.90   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   88  24.39 +/- 2.52   0.000% *  0.1365% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   88  21.98 +/- 1.65   0.001% *  0.0773% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ALA   88  26.96 +/- 2.47   0.000% *  0.1338% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   88  27.76 +/- 1.93   0.000% *  0.0421% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (3.42, 7.69, 117.92 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 3.84, residual support = 74.0:
      O   HB2   TRP   87 - HN    TRP   87   3.66 +/- 0.36  99.890% * 99.8429% (0.73  10.0   3.84  74.00) = 100.000%  kept
          HB    THR   46 - HN    TRP   87  13.08 +/- 1.49   0.101% *  0.0469% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   PHE   60 - HN    TRP   87  18.83 +/- 1.58   0.007% *  0.0889% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    TRP   87  24.10 +/- 2.54   0.002% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (2.93, 7.69, 117.92 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.9, residual support = 22.5:
          HB2   ASP-  86 - HN    TRP   87   2.62 +/- 0.26  99.973% * 97.4586% (0.80   3.90  22.48) = 100.000%  kept
          HB2   ASP-  78 - HN    TRP   87  13.19 +/- 0.74   0.009% *  0.3282% (0.53   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    TRP   87  14.50 +/- 1.21   0.005% *  0.6238% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    TRP   87  12.50 +/- 0.99   0.011% *  0.0963% (0.15   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    TRP   87  20.06 +/- 1.86   0.001% *  0.6115% (0.98   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    TRP   87  20.45 +/- 2.26   0.001% *  0.2797% (0.45   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    TRP   87  24.33 +/- 1.78   0.000% *  0.6020% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.50, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.71, residual support = 74.0:
      O   HB3   TRP   87 - HN    TRP   87   3.00 +/- 0.12  99.991% * 99.8532% (1.00  10.0   3.71  74.00) = 100.000%  kept
          HG2   GLU-  25 - HN    TRP   87  14.97 +/- 1.35   0.008% *  0.0487% (0.49   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    TRP   87  26.30 +/- 1.10   0.000% *  0.0981% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 773 (1.30, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.525, support = 2.25, residual support = 5.3:
          QB    ALA   88 - HN    TRP   87   4.35 +/- 0.10  91.044% * 96.6991% (0.53   2.25   5.30) =  99.858%  kept
          QG2   THR   77 - HN    TRP   87   7.05 +/- 1.78   8.005% *  1.4637% (0.90   0.02   0.02) =   0.133%
          QG2   THR   23 - HN    TRP   87  11.44 +/- 1.86   0.889% *  0.8587% (0.53   0.02   0.02) =   0.009%
          QB    ALA   34 - HN    TRP   87  15.68 +/- 1.62   0.052% *  0.3634% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    TRP   87  22.69 +/- 2.56   0.006% *  0.2518% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    TRP   87  25.12 +/- 2.45   0.003% *  0.3634% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 0.797, support = 1.96, residual support = 16.2:
          QD1   ILE   89 - HN    TRP   87   3.66 +/- 0.77  61.061% * 75.9593% (0.76   2.24  16.33) =  83.683%  kept
          QG2   VAL   83 - HN    TRP   87   4.00 +/- 0.35  38.861% * 23.2709% (0.97   0.54  15.75) =  16.316%  kept
          QD2   LEU   31 - HN    TRP   87  11.95 +/- 1.63   0.079% *  0.7698% (0.87   0.02   1.64) =   0.001%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 775 (0.10, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.465, support = 0.881, residual support = 15.8:
          QG2   VAL   83 - HE1   TRP   87   2.08 +/- 0.43  97.748% * 26.9008% (0.45   0.85  15.75) =  94.109%  kept
          QD1   ILE   89 - HE1   TRP   87   4.58 +/- 0.94   2.252% * 73.0992% (0.73   1.42  16.33) =   5.891%  kept
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (3.97, 8.31, 124.24 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.31, residual support = 13.3:
          QB    SER   85 - HN    ASP-  86   3.00 +/- 0.14  92.462% * 83.9916% (0.76   3.33  13.42) =  99.182%  kept
          HA    ALA   88 - HN    ASP-  86   4.98 +/- 0.31   4.920% * 12.9662% (0.69   0.57   0.02) =   0.815%  kept
          HB2   SER   82 - HN    ASP-  86   5.67 +/- 0.59   2.565% *  0.1018% (0.15   0.02   0.02) =   0.003%
          HB    THR   94 - HN    ASP-  86  12.16 +/- 1.50   0.032% *  0.1018% (0.15   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASP-  86  15.83 +/- 1.94   0.006% *  0.2957% (0.45   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ASP-  86  14.05 +/- 1.68   0.011% *  0.1468% (0.22   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASP-  86  18.56 +/- 2.12   0.002% *  0.5914% (0.90   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ASP-  86  19.27 +/- 2.43   0.002% *  0.4789% (0.73   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ASP-  86  27.28 +/- 1.08   0.000% *  0.5508% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ASP-  86  28.16 +/- 1.09   0.000% *  0.5040% (0.76   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ASP-  86  29.07 +/- 1.66   0.000% *  0.2711% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 777 (3.82, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 2.25, residual support = 10.8:
          HA    VAL   83 - HN    ASP-  86   3.04 +/- 0.23  99.990% * 95.3192% (0.61   2.25  10.83) = 100.000%  kept
          HB2   CYS   53 - HN    ASP-  86  17.91 +/- 1.97   0.004% *  1.3481% (0.97   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  86  18.45 +/- 1.58   0.002% *  0.8473% (0.61   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  86  19.66 +/- 2.21   0.002% *  0.7350% (0.53   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  86  22.80 +/- 3.51   0.001% *  0.7909% (0.57   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    ASP-  86  23.81 +/- 1.74   0.001% *  0.9596% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 778 (2.93, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 4.98, residual support = 41.6:
      O   HB2   ASP-  86 - HN    ASP-  86   2.51 +/- 0.39  99.981% * 99.6258% (0.98  10.0   4.98  41.59) = 100.000%  kept
          HB2   ASN   28 - HN    ASP-  86  13.60 +/- 1.49   0.008% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASP-  86  12.68 +/- 0.55   0.009% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASP-  86  20.74 +/- 2.48   0.001% *  0.0738% (0.73   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  86  19.96 +/- 1.77   0.001% *  0.0814% (0.80   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  86  25.39 +/- 1.83   0.000% *  0.0996% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.02 A, kept.
 
    Peak 779 (2.46, 8.31, 124.24 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.56, residual support = 41.6:
      O   HB3   ASP-  86 - HN    ASP-  86   2.98 +/- 0.59  99.968% * 99.2823% (0.41  10.0   3.56  41.59) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  86  14.01 +/- 2.65   0.026% *  0.2394% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  86  17.04 +/- 1.42   0.005% *  0.0671% (0.28   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  86  25.15 +/- 2.45   0.001% *  0.2095% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    ASP-  86  25.57 +/- 1.00   0.000% *  0.2017% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 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   2.18 +/- 0.08  98.554% * 99.3113% (0.76  10.0   3.15  18.15) =  99.999%  kept
          HA    ALA   88 - HN    SER   85   4.71 +/- 0.45   1.077% *  0.0893% (0.69   1.0   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    SER   85   5.61 +/- 0.24   0.360% *  0.0201% (0.15   1.0   0.02   2.95) =   0.000%
          QB    SER   48 - HN    SER   85  12.84 +/- 1.92   0.004% *  0.0289% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   85  14.70 +/- 2.06   0.002% *  0.0583% (0.45   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   85  12.76 +/- 1.54   0.003% *  0.0201% (0.15   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   85  17.82 +/- 2.41   0.001% *  0.1165% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   85  20.99 +/- 2.26   0.000% *  0.0944% (0.73   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   85  27.78 +/- 1.20   0.000% *  0.1085% (0.84   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   85  28.66 +/- 1.04   0.000% *  0.0993% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   85  30.03 +/- 1.45   0.000% *  0.0534% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (3.70, 8.05, 111.48 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 3.27, residual support = 20.7:
      O   HA    ALA   84 - HN    SER   85   3.62 +/- 0.01  99.819% * 99.3529% (0.49  10.0   3.27  20.74) = 100.000%  kept
          HA    VAL   75 - HN    SER   85  10.95 +/- 0.93   0.151% *  0.1074% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    SER   85  16.84 +/- 2.27   0.020% *  0.1402% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    SER   85  19.57 +/- 2.80   0.006% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    SER   85  25.66 +/- 1.53   0.001% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    SER   85  25.32 +/- 1.53   0.001% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    SER   85  23.14 +/- 1.74   0.002% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 782 (1.36, 8.05, 111.48 ppm):
    16 chemical-shift based assignments, quality = 0.998, support = 3.87, residual support = 20.7:
          QB    ALA   84 - HN    SER   85   2.62 +/- 0.08  99.462% * 95.9096% (1.00   3.87  20.74) =  99.999%  kept
          HB3   LEU   80 - HN    SER   85   6.45 +/- 0.54   0.523% *  0.2615% (0.53   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    SER   85  15.99 +/- 1.37   0.002% *  0.4970% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    SER   85  15.15 +/- 1.03   0.003% *  0.3799% (0.76   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    SER   85  18.39 +/- 3.07   0.001% *  0.4797% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   85  14.99 +/- 1.11   0.003% *  0.1865% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    SER   85  17.02 +/- 2.14   0.002% *  0.1865% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   85  19.44 +/- 2.83   0.001% *  0.3015% (0.61   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   85  19.52 +/- 0.94   0.001% *  0.1534% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   85  23.46 +/- 4.06   0.000% *  0.2043% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    SER   85  22.99 +/- 1.78   0.000% *  0.3215% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    SER   85  23.48 +/- 2.38   0.000% *  0.1534% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    SER   85  22.66 +/- 1.91   0.000% *  0.1239% (0.25   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    SER   85  29.15 +/- 2.18   0.000% *  0.4458% (0.90   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   85  26.25 +/- 1.79   0.000% *  0.2419% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   85  27.78 +/- 1.84   0.000% *  0.1534% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 783 (3.70, 7.58, 119.96 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 3.97, residual support = 18.6:
      O   HA    ALA   84 - HN    ALA   84   2.78 +/- 0.04  99.817% * 99.3529% (0.49  10.0   3.97  18.58) = 100.000%  kept
          HA    VAL   75 - HN    ALA   84   8.39 +/- 0.96   0.175% *  0.1074% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA   84  15.94 +/- 2.05   0.005% *  0.1402% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ALA   84  18.93 +/- 2.81   0.002% *  0.0630% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA   84  24.04 +/- 1.67   0.000% *  0.1560% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ALA   84  21.32 +/- 1.83   0.001% *  0.0568% (0.28   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    ALA   84  24.08 +/- 1.66   0.000% *  0.1238% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 784 (1.66, 7.58, 119.96 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.35, residual support = 43.2:
          HB    VAL   83 - HN    ALA   84   3.18 +/- 0.28  99.929% * 97.8551% (0.99   5.35  43.16) = 100.000%  kept
          HD2   LYS+  74 - HN    ALA   84  13.69 +/- 1.68   0.025% *  0.1519% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA   84  15.11 +/- 1.82   0.013% *  0.1944% (0.53   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    ALA   84  14.15 +/- 2.17   0.020% *  0.0647% (0.18   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ALA   84  20.86 +/- 4.08   0.002% *  0.2683% (0.73   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    ALA   84  16.80 +/- 1.95   0.007% *  0.0647% (0.18   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   84  23.60 +/- 1.80   0.001% *  0.3565% (0.97   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   84  24.72 +/- 1.76   0.001% *  0.3661% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   84  25.09 +/- 1.91   0.000% *  0.3495% (0.95   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA   84  23.31 +/- 2.84   0.001% *  0.0921% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   84  23.61 +/- 2.64   0.001% *  0.0570% (0.15   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ALA   84  29.80 +/- 2.06   0.000% *  0.1798% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.07 A, kept.
 
    Peak 785 (1.36, 7.58, 119.96 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 4.33, residual support = 18.6:
      O   QB    ALA   84 - HN    ALA   84   2.01 +/- 0.04  97.147% * 99.0428% (0.87  10.0   4.33  18.58) =  99.999%  kept
          HB3   LEU   80 - HN    ALA   84   4.14 +/- 0.76   2.847% *  0.0317% (0.28   1.0   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    ALA   84  12.78 +/- 1.12   0.002% *  0.0739% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   84  14.36 +/- 1.72   0.001% *  0.1024% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   84  13.05 +/- 1.16   0.002% *  0.0556% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   84  17.27 +/- 2.90   0.000% *  0.0873% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   84  18.67 +/- 2.75   0.000% *  0.0990% (0.87   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   84  17.57 +/- 0.91   0.000% *  0.0646% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   84  15.80 +/- 1.96   0.001% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   84  23.01 +/- 3.66   0.000% *  0.0784% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   84  20.95 +/- 1.77   0.000% *  0.0556% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   84  20.95 +/- 1.89   0.000% *  0.0429% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   84  24.98 +/- 2.03   0.000% *  0.0873% (0.76   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   84  25.40 +/- 1.84   0.000% *  0.0646% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   84  27.75 +/- 2.27   0.000% *  0.0739% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   84  24.05 +/- 3.68   0.000% *  0.0200% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 786 (0.60, 7.58, 119.96 ppm):
    6 chemical-shift based assignments, quality = 0.69, support = 5.86, residual support = 42.6:
          QG1   VAL   83 - HN    ALA   84   4.10 +/- 0.50  79.865% * 93.4289% (0.69   5.94  43.16) =  98.654%  kept
          QD2   LEU   80 - HN    ALA   84   5.51 +/- 0.78  19.800% *  5.1361% (0.95   0.24   0.02) =   1.345%  kept
          QD1   LEU   73 - HN    ALA   84  11.25 +/- 1.18   0.252% *  0.2777% (0.61   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    ALA   84  19.24 +/- 3.10   0.049% *  0.4568% (1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   84  16.51 +/- 1.71   0.024% *  0.2777% (0.61   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   84  19.55 +/- 1.15   0.008% *  0.4227% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.10 A, kept.
 
    Peak 787 (0.07, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.763, support = 6.36, residual support = 43.0:
          QG2   VAL   83 - HN    ALA   84   3.14 +/- 0.43  94.072% * 90.3471% (0.76   6.39  43.16) =  99.400%  kept
          QD1   ILE   89 - HN    ALA   84   5.71 +/- 1.15   5.569% *  9.2012% (0.49   1.02  10.75) =   0.599%  kept
          QG2   VAL   43 - HN    ALA   84   8.88 +/- 1.27   0.313% *  0.0824% (0.22   0.02   0.02) =   0.000%
          QD2   LEU   31 - HN    ALA   84  12.27 +/- 1.44   0.046% *  0.3693% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 788 (4.00, 6.59, 123.60 ppm):
    10 chemical-shift based assignments, quality = 0.755, support = 4.1, residual support = 19.8:
          HB2   SER   82 - HN    VAL   83   3.32 +/- 0.22  99.548% * 97.0124% (0.75   4.10  19.85) =  99.999%  kept
          HA    ALA   88 - HN    VAL   83   8.51 +/- 0.34   0.388% *  0.2678% (0.43   0.02   0.02) =   0.001%
          HA    SER   48 - HN    VAL   83  14.55 +/- 2.35   0.030% *  0.3788% (0.60   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   83  14.95 +/- 1.70   0.014% *  0.4637% (0.74   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    VAL   83  17.97 +/- 0.97   0.005% *  0.4689% (0.75   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    VAL   83  17.88 +/- 2.40   0.005% *  0.2489% (0.40   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   83  18.44 +/- 2.38   0.006% *  0.1614% (0.26   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   83  20.47 +/- 1.86   0.002% *  0.4243% (0.68   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    VAL   83  21.91 +/- 1.23   0.001% *  0.2869% (0.46   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   83  26.43 +/- 1.44   0.000% *  0.2869% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (3.82, 6.59, 123.60 ppm):
    6 chemical-shift based assignments, quality = 0.458, support = 4.7, residual support = 87.3:
      O   HA    VAL   83 - HN    VAL   83   2.79 +/- 0.03  99.992% * 99.4506% (0.46  10.0   4.70  87.28) = 100.000%  kept
          HB2   CYS   53 - HN    VAL   83  17.16 +/- 2.32   0.003% *  0.1582% (0.73   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    VAL   83  15.89 +/- 1.62   0.003% *  0.0995% (0.46   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    VAL   83  19.72 +/- 2.41   0.001% *  0.0863% (0.40   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    VAL   83  22.81 +/- 2.02   0.000% *  0.1126% (0.52   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    VAL   83  22.50 +/- 3.37   0.000% *  0.0928% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (1.66, 6.59, 123.60 ppm):
    12 chemical-shift based assignments, quality = 0.748, support = 4.77, residual support = 87.3:
      O   HB    VAL   83 - HN    VAL   83   2.21 +/- 0.34  99.991% * 99.4176% (0.75  10.0   4.77  87.28) = 100.000%  kept
          HD2   LYS+  74 - HN    VAL   83  13.60 +/- 1.72   0.005% *  0.0412% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    VAL   83  16.66 +/- 2.11   0.001% *  0.0528% (0.40   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    VAL   83  20.46 +/- 4.25   0.000% *  0.0728% (0.55   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    VAL   83  16.04 +/- 2.27   0.001% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    VAL   83  17.57 +/- 1.95   0.001% *  0.0176% (0.13   1.0   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    VAL   83  23.49 +/- 1.74   0.000% *  0.0968% (0.73   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    VAL   83  23.54 +/- 2.05   0.000% *  0.0994% (0.75   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    VAL   83  25.48 +/- 2.25   0.000% *  0.0949% (0.71   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    VAL   83  24.93 +/- 2.92   0.000% *  0.0250% (0.19   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    VAL   83  25.27 +/- 2.74   0.000% *  0.0155% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    VAL   83  30.04 +/- 2.48   0.000% *  0.0488% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.02 A, kept.
 
    Peak 791 (1.39, 6.59, 123.60 ppm):
    13 chemical-shift based assignments, quality = 0.191, support = 0.0199, residual support = 0.0199:
          HB2   LEU   80 - HN    VAL   83   3.95 +/- 0.57  99.410% *  2.8578% (0.19   0.02   0.02) =  98.438%  kept
          HB3   LEU   73 - HN    VAL   83  11.79 +/- 1.45   0.253% *  9.9416% (0.65   0.02   0.02) =   0.872%  kept
          HB3   LYS+  74 - HN    VAL   83  12.46 +/- 1.03   0.153% *  4.7118% (0.31   0.02   0.02) =   0.250%
          QB    LEU   98 - HN    VAL   83  15.45 +/- 2.48   0.059% *  7.8727% (0.52   0.02   0.02) =   0.161%
          HB    VAL   42 - HN    VAL   83  16.94 +/- 1.33   0.024% * 10.5799% (0.70   0.02   0.02) =   0.087%
          HG3   LYS+  33 - HN    VAL   83  19.05 +/- 2.00   0.014% * 11.0607% (0.73   0.02   0.02) =   0.053%
          HG3   LYS+ 106 - HN    VAL   83  19.16 +/- 2.90   0.020% *  7.4142% (0.49   0.02   0.02) =   0.052%
          HB3   PRO   93 - HN    VAL   83  15.67 +/- 2.01   0.049% *  1.7684% (0.12   0.02   0.02) =   0.030%
          QB    ALA   12 - HN    VAL   83  22.77 +/- 3.78   0.006% * 10.5799% (0.70   0.02   0.02) =   0.022%
          HG3   LYS+ 102 - HN    VAL   83  22.46 +/- 3.94   0.006% *  9.5730% (0.63   0.02   0.02) =   0.020%
          HG3   LYS+  65 - HN    VAL   83  25.32 +/- 1.69   0.002% * 10.5799% (0.70   0.02   0.02) =   0.008%
          HB2   LYS+ 112 - HN    VAL   83  26.37 +/- 2.20   0.002% *  8.7588% (0.58   0.02   0.02) =   0.005%
          HD3   LYS+ 121 - HN    VAL   83  26.71 +/- 2.67   0.002% *  4.3014% (0.28   0.02   0.02) =   0.003%
    Distance limit 3.80 A violated in 2 structures by 0.33 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 792 (0.61, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.743, support = 5.29, residual support = 86.2:
          QG1   VAL   83 - HN    VAL   83   2.63 +/- 0.40  90.357% * 89.0859% (0.75   5.34  87.28) =  98.808%  kept
          QD2   LEU   80 - HN    VAL   83   4.27 +/- 0.57   9.364% * 10.3653% (0.31   1.50   0.02) =   1.191%  kept
          QG2   ILE   89 - HN    VAL   83   7.24 +/- 0.50   0.275% *  0.2043% (0.46   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    VAL   83  18.93 +/- 3.22   0.004% *  0.2179% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   83  20.32 +/- 1.29   0.000% *  0.1264% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 5.3, residual support = 87.3:
          QG2   VAL   83 - HN    VAL   83   3.42 +/- 0.42  97.474% * 99.3991% (0.74   5.30  87.28) =  99.991%  kept
          QD1   ILE   89 - HN    VAL   83   7.03 +/- 1.18   2.363% *  0.3690% (0.73   0.02   0.02) =   0.009%
          QD2   LEU   31 - HN    VAL   83  10.99 +/- 1.79   0.163% *  0.2319% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 794 (4.01, 8.64, 114.33 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 4.32, residual support = 34.8:
      O   HB2   SER   82 - HN    SER   82   2.58 +/- 0.68  99.841% * 99.3063% (0.87  10.0   4.32  34.82) = 100.000%  kept
          HA    ALA   88 - HN    SER   82   9.44 +/- 0.40   0.112% *  0.0318% (0.28   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   82  15.01 +/- 2.79   0.034% *  0.0557% (0.49   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    SER   82  16.12 +/- 2.04   0.005% *  0.1083% (0.95   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    SER   82  19.66 +/- 0.95   0.001% *  0.1057% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    SER   82  22.09 +/- 2.06   0.001% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   82  19.53 +/- 2.69   0.004% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   82  19.55 +/- 2.65   0.002% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    SER   82  24.13 +/- 1.23   0.000% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    SER   82  28.64 +/- 1.33   0.000% *  0.1027% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    SER   82  25.81 +/- 1.81   0.000% *  0.0285% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (3.87, 8.64, 114.33 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 3.71, residual support = 34.8:
      O   HB3   SER   82 - HN    SER   82   2.86 +/- 0.40  99.962% * 99.2682% (0.69  10.0   3.71  34.82) = 100.000%  kept
          HA    ILE   89 - HN    SER   82  11.36 +/- 0.73   0.033% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   82  23.00 +/- 1.67   0.000% *  0.1395% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    SER   82  17.41 +/- 1.82   0.003% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    SER   82  24.70 +/- 1.75   0.000% *  0.1445% (1.00   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   82  25.22 +/- 1.75   0.000% *  0.1157% (0.80   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   82  25.19 +/- 2.92   0.000% *  0.1367% (0.95   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   82  20.73 +/- 2.76   0.001% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (1.87, 8.64, 114.33 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.09, residual support = 19.2:
          QB    LYS+  81 - HN    SER   82   3.07 +/- 0.37  99.928% * 96.7241% (0.97   5.09  19.20) = 100.000%  kept
          HB3   GLN   90 - HN    SER   82  12.26 +/- 1.35   0.039% *  0.3638% (0.92   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    SER   82  15.40 +/- 1.99   0.011% *  0.2073% (0.53   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    SER   82  17.94 +/- 2.26   0.004% *  0.3863% (0.98   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    SER   82  17.32 +/- 2.61   0.008% *  0.1479% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    SER   82  18.69 +/- 1.68   0.003% *  0.3418% (0.87   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    SER   82  21.73 +/- 3.70   0.002% *  0.2862% (0.73   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    SER   82  22.40 +/- 2.60   0.001% *  0.3418% (0.87   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    SER   82  21.75 +/- 3.60   0.001% *  0.2707% (0.69   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    SER   82  24.57 +/- 2.25   0.001% *  0.3012% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    SER   82  27.59 +/- 2.10   0.000% *  0.2862% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    SER   82  29.32 +/- 1.61   0.000% *  0.2549% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    SER   82  26.77 +/- 2.17   0.000% *  0.0877% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.02 A, kept.
 
    Peak 797 (1.58, 8.64, 114.33 ppm):
    3 chemical-shift based assignments, quality = 0.249, support = 5.09, residual support = 19.2:
          QG    LYS+  81 - HN    SER   82   3.84 +/- 0.86  99.982% * 98.7613% (0.25   5.09  19.20) = 100.000%  kept
          HG3   ARG+  54 - HN    SER   82  22.53 +/- 3.75   0.007% *  0.7581% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HN    SER   82  20.96 +/- 3.18   0.011% *  0.4807% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 798 (0.61, 8.64, 114.33 ppm):
    7 chemical-shift based assignments, quality = 0.911, support = 4.13, residual support = 17.2:
          QG1   VAL   83 - HN    SER   82   4.71 +/- 0.41  61.405% * 78.8247% (0.95   4.52  19.85) =  86.670%  kept
          QD2   LEU   80 - HN    SER   82   5.09 +/- 0.80  36.745% * 20.2535% (0.69   1.60   0.22) =  13.326%  kept
          QG2   ILE   89 - HN    SER   82   8.65 +/- 0.53   1.528% *  0.1257% (0.34   0.02   0.02) =   0.003%
          QD1   LEU   73 - HN    SER   82  11.79 +/- 1.55   0.274% *  0.1137% (0.31   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    SER   82  21.07 +/- 3.21   0.025% *  0.3304% (0.90   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    SER   82  18.59 +/- 1.76   0.017% *  0.1137% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    SER   82  22.08 +/- 1.22   0.005% *  0.2383% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.07 A, kept.
 
    Peak 799 (1.87, 7.29, 121.74 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.21, residual support = 108.8:
      O   QB    LYS+  81 - HN    LYS+  81   2.34 +/- 0.17  99.988% * 99.1460% (0.97  10.0   5.21 108.77) = 100.000%  kept
          HB3   GLN   90 - HN    LYS+  81  12.01 +/- 1.69   0.008% *  0.0948% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  81  16.12 +/- 2.01   0.001% *  0.0541% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  81  18.55 +/- 2.23   0.000% *  0.1007% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  81  16.92 +/- 2.66   0.001% *  0.0386% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  81  20.26 +/- 3.77   0.001% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  81  19.45 +/- 1.64   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  81  21.69 +/- 2.66   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  81  23.14 +/- 3.47   0.000% *  0.0706% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  81  25.16 +/- 2.13   0.000% *  0.0785% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  81  28.75 +/- 1.96   0.000% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  81  29.30 +/- 1.58   0.000% *  0.0665% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  81  25.78 +/- 2.30   0.000% *  0.0229% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 800 (1.55, 7.29, 121.74 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.72, residual support = 108.8:
          QG    LYS+  81 - HN    LYS+  81   2.45 +/- 0.36  99.995% * 98.9368% (0.97   5.72 108.77) = 100.000%  kept
          HD3   LYS+  74 - HN    LYS+  81  14.65 +/- 1.41   0.004% *  0.1223% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HN    LYS+  81  21.84 +/- 3.11   0.001% *  0.3311% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+  81  21.33 +/- 1.96   0.000% *  0.3393% (0.95   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+  81  25.30 +/- 3.02   0.000% *  0.0799% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    LYS+  81  25.55 +/- 2.74   0.000% *  0.1107% (0.31   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    LYS+  81  28.47 +/- 2.15   0.000% *  0.0799% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 801 (0.58, 7.29, 121.74 ppm):
    9 chemical-shift based assignments, quality = 0.365, support = 5.28, residual support = 33.4:
          QD2   LEU   80 - HN    LYS+  81   4.99 +/- 0.94  27.248% * 76.0925% (0.53   5.34  33.41) =  56.752%  kept
          QD1   LEU   80 - HN    LYS+  81   4.07 +/- 0.76  72.562% * 21.7739% (0.15   5.21  33.41) =  43.246%  kept
          QD1   LEU   73 - HN    LYS+  81  12.25 +/- 1.58   0.110% *  0.4861% (0.90   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    LYS+  81  15.27 +/- 1.90   0.031% *  0.1507% (0.28   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LYS+  81  18.47 +/- 1.61   0.009% *  0.4861% (0.90   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LYS+  81  20.16 +/- 1.17   0.005% *  0.4528% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LYS+  81  16.05 +/- 3.05   0.026% *  0.0836% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  81  21.71 +/- 1.19   0.003% *  0.3069% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LYS+  81  21.86 +/- 3.10   0.005% *  0.1673% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.06 A, kept.
 
    Peak 802 (2.91, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.575, support = 3.48, residual support = 13.8:
          HB2   ASP-  78 - HN    GLU-  79   2.86 +/- 0.45  49.476% * 73.9499% (0.60   4.12  17.42) =  74.123%  kept
          HB2   ASP-  76 - HN    GLU-  79   2.87 +/- 0.72  50.507% * 25.2897% (0.51   1.65   3.36) =  25.877%  kept
          HB2   ASP-  86 - HN    GLU-  79  11.41 +/- 0.70   0.013% *  0.0496% (0.08   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    GLU-  79  15.72 +/- 1.35   0.002% *  0.1505% (0.25   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    GLU-  79  19.40 +/- 1.15   0.001% *  0.1927% (0.32   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  79  20.17 +/- 2.74   0.001% *  0.1018% (0.17   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    GLU-  79  26.83 +/- 0.62   0.000% *  0.2659% (0.44   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 804 (2.34, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.0941, support = 4.14, residual support = 55.3:
      O   HB2   GLU-  79 - HN    GLU-  79   2.58 +/- 0.37  99.161% * 98.3341% (0.09  10.0   4.14  55.33) =  99.998%  kept
          HG2   PRO   52 - HN    GLU-  79  15.67 +/- 3.29   0.832% *  0.2857% (0.27   1.0   0.02   0.02) =   0.002%
          HG3   GLU-  25 - HN    GLU-  79  13.85 +/- 1.38   0.005% *  0.4123% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    GLU-  79  21.62 +/- 2.12   0.001% *  0.5103% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLU-  79  21.58 +/- 1.74   0.001% *  0.2174% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLU-  79  26.21 +/- 1.95   0.000% *  0.1419% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLU-  79  27.98 +/- 1.65   0.000% *  0.0983% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.03 A, kept.
 
    Peak 805 (2.15, 8.02, 121.50 ppm):
    6 chemical-shift based assignments, quality = 0.588, support = 4.02, residual support = 55.3:
      O   HB3   GLU-  79 - HN    GLU-  79   2.77 +/- 0.45  99.953% * 99.6469% (0.59  10.0   4.02  55.33) = 100.000%  kept
          HB2   GLN   90 - HN    GLU-  79  11.52 +/- 1.59   0.042% *  0.0789% (0.47   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  79  17.03 +/- 0.96   0.003% *  0.0585% (0.35   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  79  18.46 +/- 1.04   0.002% *  0.0953% (0.56   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLU-  79  23.40 +/- 0.64   0.000% *  0.1023% (0.60   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  79  28.81 +/- 0.66   0.000% *  0.0181% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.03 A, kept.
 
    Peak 819 (2.79, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 3.95, residual support = 38.8:
      O   HB3   ASP-  78 - HN    ASP-  78   2.87 +/- 0.65  99.349% * 99.4250% (0.49  10.0   3.95  38.78) =  99.999%  kept
          QE    LYS+  74 - HN    ASP-  78   9.01 +/- 1.59   0.326% *  0.2002% (0.98   1.0   0.02   0.02) =   0.001%
          QB    CYS   50 - HN    ASP-  78   9.19 +/- 2.04   0.321% *  0.1971% (0.97   1.0   0.02   0.02) =   0.001%
          HB2   PHE   72 - HN    ASP-  78  16.69 +/- 0.99   0.004% *  0.0455% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ASP-  78  27.50 +/- 1.14   0.000% *  0.1321% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 0.972, support = 5.05, residual support = 36.7:
      O   HB2   ASP-  78 - HN    ASP-  78   2.70 +/- 0.34  77.831% * 82.2858% (0.98  10.0   5.05  38.78) =  94.280%  kept
          HB2   ASP-  76 - HN    ASP-  78   3.74 +/- 0.84  22.151% * 17.5399% (0.84   1.0   5.00   3.21) =   5.720%  kept
          HB2   ASP-  86 - HN    ASP-  78  11.63 +/- 1.05   0.015% *  0.0114% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  78  17.31 +/- 1.27   0.001% *  0.0345% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  78  19.76 +/- 2.82   0.002% *  0.0233% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  78  20.62 +/- 1.15   0.000% *  0.0442% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  78  27.15 +/- 0.92   0.000% *  0.0610% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 821 (3.59, 8.52, 119.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.6, residual support = 28.0:
      O   HA    THR   77 - HN    ASP-  78   3.52 +/- 0.04  99.002% * 99.9219% (0.92  10.0   4.60  27.98) = 100.000%  kept
          HD2   PRO   93 - HN    ASP-  78  12.32 +/- 2.75   0.951% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ASP-  78  13.01 +/- 1.23   0.045% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HN    ASP-  78  19.96 +/- 0.94   0.003% *  0.0241% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (5.01, 8.52, 119.25 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 2.41, residual support = 3.21:
          HA    ASP-  76 - HN    ASP-  78   3.63 +/- 0.17  99.999% * 99.6406% (0.95   2.41   3.21) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  78  23.92 +/- 1.17   0.001% *  0.3594% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 823 (3.58, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.01, residual support = 37.7:
      O   HA    THR   77 - HN    THR   77   2.77 +/- 0.04  99.753% * 99.8846% (0.98  10.0   4.01  37.73) = 100.000%  kept
          HD2   PRO   93 - HN    THR   77  10.50 +/- 2.25   0.227% *  0.0577% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    THR   77  11.95 +/- 1.49   0.020% *  0.0577% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 0.96, support = 3.55, residual support = 13.9:
          HB2   ASP-  76 - HN    THR   77   4.19 +/- 0.51  76.986% * 60.1808% (1.00   3.64  11.15) =  83.695%  kept
          HB2   ASP-  78 - HN    THR   77   5.27 +/- 0.36  22.971% * 39.2928% (0.76   3.10  27.98) =  16.305%  kept
          HB2   ASN   28 - HN    THR   77  16.60 +/- 1.52   0.028% *  0.0581% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    THR   77  19.57 +/- 1.18   0.009% *  0.0827% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    THR   77  25.19 +/- 0.93   0.002% *  0.3200% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    THR   77  21.98 +/- 1.37   0.004% *  0.0656% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 825 (2.24, 9.27, 119.07 ppm):
    11 chemical-shift based assignments, quality = 0.566, support = 3.64, residual support = 11.2:
          HB3   ASP-  76 - HN    THR   77   4.13 +/- 0.35  94.002% * 95.2550% (0.57   3.64  11.15) =  99.976%  kept
          QG    GLN   90 - HN    THR   77   8.00 +/- 1.87   4.255% *  0.3155% (0.34   0.02   0.02) =   0.015%
          HG3   MET   92 - HN    THR   77  11.42 +/- 2.21   0.653% *  0.9250% (1.00   0.02   0.02) =   0.007%
          HB2   ASP-  44 - HN    THR   77   9.25 +/- 0.77   0.949% *  0.1831% (0.20   0.02   0.02) =   0.002%
          HB3   PHE   72 - HN    THR   77  14.08 +/- 0.90   0.081% *  0.2572% (0.28   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    THR   77  18.00 +/- 1.17   0.016% *  0.9067% (0.98   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    THR   77  19.02 +/- 1.24   0.012% *  0.6354% (0.69   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    THR   77  19.90 +/- 1.74   0.009% *  0.7407% (0.80   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR   77  19.54 +/- 1.47   0.011% *  0.2059% (0.22   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR   77  20.29 +/- 1.50   0.009% *  0.1252% (0.14   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    THR   77  26.55 +/- 1.77   0.002% *  0.4503% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.02 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   2.11 +/- 0.27  99.826% * 96.0812% (0.61   4.01  37.73) =  99.999%  kept
          HB3   LEU   80 - HN    THR   77   6.90 +/- 1.19   0.136% *  0.3246% (0.41   0.02   0.60) =   0.000%
          QB    ALA   88 - HN    THR   77  10.60 +/- 1.06   0.008% *  0.7469% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    THR   77   8.97 +/- 1.25   0.028% *  0.1758% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   77  19.33 +/- 2.85   0.000% *  0.5108% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   77  16.61 +/- 1.59   0.001% *  0.2437% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   77  18.08 +/- 1.41   0.000% *  0.4470% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   77  24.61 +/- 1.30   0.000% *  0.7081% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   77  27.29 +/- 0.91   0.000% *  0.7620% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 827 (0.38, 9.27, 119.07 ppm):
    4 chemical-shift based assignments, quality = 0.896, support = 1.22, residual support = 2.43:
          QB    ALA   47 - HN    THR   77   5.81 +/- 1.99  91.099% * 97.1206% (0.90   1.22   2.44) =  99.892%  kept
          QG1   VAL   42 - HN    THR   77  11.45 +/- 0.59   4.636% *  1.4194% (0.80   0.02   0.02) =   0.074%
          QB    ALA   64 - HN    THR   77  13.67 +/- 1.28   3.109% *  0.6653% (0.38   0.02   0.02) =   0.023%
          HG2   LYS+ 112 - HN    THR   77  19.14 +/- 3.42   1.157% *  0.7947% (0.45   0.02   0.02) =   0.010%
    Distance limit 4.29 A violated in 12 structures by 1.64 A, kept.
 
    Peak 828 (3.72, 8.53, 128.95 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.27, residual support = 84.5:
      O   HA    VAL   75 - HN    VAL   75   2.93 +/- 0.01  99.949% * 99.8428% (0.97  10.0   5.27  84.48) = 100.000%  kept
          HD3   PRO   58 - HN    VAL   75  13.89 +/- 1.70   0.019% *  0.1014% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    VAL   75  11.75 +/- 1.53   0.030% *  0.0353% (0.34   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   75  17.64 +/- 1.26   0.002% *  0.0205% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 829 (2.28, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 0.749, residual support = 0.749:
          HB2   ASP-  44 - HN    VAL   75   4.35 +/- 0.57  96.932% * 87.0932% (0.87   0.75   0.75) =  99.930%  kept
          HB3   PHE   72 - HN    VAL   75   8.46 +/- 0.57   2.372% *  2.0462% (0.76   0.02   0.02) =   0.057%
          QG    GLN   90 - HN    VAL   75  12.00 +/- 1.93   0.320% *  1.8392% (0.69   0.02   0.02) =   0.007%
          QG    GLU-  15 - HN    VAL   75  15.46 +/- 1.18   0.070% *  2.5328% (0.95   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    VAL   75  15.24 +/- 1.08   0.068% *  2.2364% (0.84   0.02   0.02) =   0.002%
          HG2   MET   92 - HN    VAL   75  13.11 +/- 0.99   0.160% *  0.4689% (0.18   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    VAL   75  15.78 +/- 1.27   0.053% *  0.9133% (0.34   0.02   0.02) =   0.001%
          QB    MET   11 - HN    VAL   75  22.69 +/- 3.14   0.019% *  2.4012% (0.90   0.02   0.02) =   0.001%
          HG3   GLU-  36 - HN    VAL   75  22.17 +/- 0.84   0.007% *  0.4689% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.12 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 830 (1.43, 8.53, 128.95 ppm):
    14 chemical-shift based assignments, quality = 0.216, support = 4.31, residual support = 31.0:
          HB3   LYS+  74 - HN    VAL   75   4.08 +/- 0.31  88.340% * 42.4527% (0.20   4.42  32.03) =  96.640%  kept
          HG    LEU   73 - HN    VAL   75   7.67 +/- 0.56   2.483% * 50.4280% (0.76   1.36   0.43) =   3.227%  kept
          HG    LEU   80 - HN    VAL   75   8.05 +/- 2.10   3.378% *  0.8422% (0.87   0.02   0.48) =   0.073%
          HB2   LEU   80 - HN    VAL   75   7.65 +/- 1.65   4.840% *  0.3312% (0.34   0.02   0.48) =   0.041%
          QB    ALA   61 - HN    VAL   75  10.70 +/- 1.47   0.361% *  0.9517% (0.98   0.02   0.02) =   0.009%
          HG12  ILE   19 - HN    VAL   75  11.33 +/- 0.74   0.226% *  0.7420% (0.76   0.02   0.02) =   0.004%
          QB    ALA  110 - HN    VAL   75  13.26 +/- 2.54   0.154% *  0.8110% (0.84   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    VAL   75  15.63 +/- 1.36   0.036% *  0.9688% (1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    VAL   75  16.22 +/- 0.97   0.026% *  0.8963% (0.92   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    VAL   75  14.64 +/- 1.72   0.069% *  0.2699% (0.28   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    VAL   75  14.74 +/- 1.01   0.045% *  0.2699% (0.28   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    VAL   75  16.01 +/- 0.99   0.028% *  0.1921% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    VAL   75  21.22 +/- 2.00   0.006% *  0.6281% (0.65   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   75  20.44 +/- 1.90   0.008% *  0.2162% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.01 A, kept.
 
    Peak 831 (1.26, 8.53, 128.95 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 5.69, residual support = 32.0:
          HG2   LYS+  74 - HN    VAL   75   3.03 +/- 0.58  98.673% * 95.2264% (0.45   5.69  32.03) =  99.993%  kept
          QG2   ILE   56 - HN    VAL   75   9.78 +/- 2.39   0.557% *  0.6479% (0.87   0.02   0.02) =   0.004%
          QG2   THR   23 - HN    VAL   75   8.59 +/- 1.26   0.519% *  0.2548% (0.34   0.02   0.02) =   0.001%
          QB    ALA   91 - HN    VAL   75  10.34 +/- 1.04   0.110% *  0.7209% (0.97   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    VAL   75  11.55 +/- 0.56   0.058% *  0.5131% (0.69   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    VAL   75  12.43 +/- 0.58   0.036% *  0.5131% (0.69   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    VAL   75  13.81 +/- 0.69   0.019% *  0.7209% (0.97   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    VAL   75  13.42 +/- 1.02   0.024% *  0.3071% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    VAL   75  19.31 +/- 1.18   0.003% *  0.3636% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    VAL   75  22.45 +/- 1.22   0.001% *  0.7322% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 832 (1.00, 8.53, 128.95 ppm):
    6 chemical-shift based assignments, quality = 0.938, support = 4.54, residual support = 83.6:
      O   HB    VAL   75 - HN    VAL   75   2.86 +/- 0.50  89.951% * 85.9980% (0.95  10.0   4.51  84.48) =  98.254%  kept
          HG3   LYS+  74 - HN    VAL   75   4.39 +/- 0.35   9.969% * 13.7887% (0.49   1.0   6.23  32.03) =   1.746%  kept
          QD2   LEU   40 - HN    VAL   75  12.53 +/- 1.24   0.023% *  0.0695% (0.76   1.0   0.02   0.02) =   0.000%
          QD1   LEU   67 - HN    VAL   75  12.37 +/- 1.02   0.023% *  0.0660% (0.73   1.0   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    VAL   75  13.48 +/- 1.10   0.014% *  0.0551% (0.61   1.0   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    VAL   75  13.37 +/- 1.30   0.019% *  0.0227% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.03 A, kept.
 
    Peak 833 (0.76, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.629, support = 0.745, residual support = 1.3:
          QG2   THR   46 - HN    VAL   75   4.41 +/- 1.14  69.874% * 20.4262% (0.69   0.37   1.90) =  61.577%  kept
          QD2   LEU   73 - HN    VAL   75   6.69 +/- 1.08  12.058% * 56.1479% (0.41   1.70   0.43) =  29.209%  kept
          QG1   VAL   43 - HN    VAL   75   6.57 +/- 1.23  11.178% * 18.3986% (0.97   0.24   0.02) =   8.873%  kept
          QG2   VAL   18 - HN    VAL   75   6.78 +/- 1.03   5.474% *  1.2876% (0.80   0.02   0.02) =   0.304%
          QG1   VAL   41 - HN    VAL   75  11.79 +/- 1.03   0.170% *  1.6045% (1.00   0.02   0.02) =   0.012%
          QD1   ILE   19 - HN    VAL   75   9.72 +/- 0.61   0.470% *  0.5485% (0.34   0.02   0.02) =   0.011%
          QD1   ILE   56 - HN    VAL   75  11.09 +/- 2.20   0.517% *  0.3182% (0.20   0.02   0.02) =   0.007%
          HG    LEU   31 - HN    VAL   75  11.95 +/- 1.18   0.150% *  0.9104% (0.57   0.02   0.02) =   0.006%
          QD2   LEU  104 - HN    VAL   75  15.57 +/- 2.12   0.110% *  0.3580% (0.22   0.02   0.02) =   0.002%
    Distance limit 4.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 834 (0.45, 8.53, 128.95 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.27, residual support = 84.5:
          QG1   VAL   75 - HN    VAL   75   3.34 +/- 0.33  99.918% * 99.6866% (0.92   5.27  84.48) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   75  12.27 +/- 1.45   0.082% *  0.3134% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 835 (0.11, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 5.12, residual support = 84.5:
          QG2   VAL   75 - HN    VAL   75   2.90 +/- 0.74  96.983% * 99.5288% (0.49   5.12  84.48) =  99.994%  kept
          QD1   ILE   89 - HN    VAL   75   8.13 +/- 2.67   2.791% *  0.1990% (0.25   0.02   0.02) =   0.006%
          QG2   VAL   42 - HN    VAL   75   9.21 +/- 0.72   0.227% *  0.2722% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 836 (1.41, 8.48, 121.30 ppm):
    14 chemical-shift based assignments, quality = 0.699, support = 4.41, residual support = 185.5:
      O   HB3   LYS+  74 - HN    LYS+  74   2.80 +/- 0.30  75.243% * 95.3472% (0.71  10.0   4.40 187.48) =  98.663%  kept
          HB3   LEU   73 - HN    LYS+  74   3.54 +/- 0.50  23.937% *  4.0593% (0.11   1.0   5.51  42.16) =   1.336%  kept
          HG12  ILE   19 - HN    LYS+  74   7.19 +/- 0.70   0.385% *  0.0580% (0.43   1.0   0.02   8.02) =   0.000%
          HB2   LEU   80 - HN    LYS+  74   9.54 +/- 1.81   0.068% *  0.0922% (0.68   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+  74   9.35 +/- 2.23   0.087% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+  74   8.30 +/- 0.78   0.184% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  74  10.68 +/- 1.51   0.042% *  0.0295% (0.22   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  74  12.43 +/- 0.95   0.012% *  0.0829% (0.61   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  74  14.64 +/- 2.99   0.015% *  0.0580% (0.43   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  74  13.03 +/- 1.02   0.009% *  0.0238% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  74  16.12 +/- 2.41   0.004% *  0.0503% (0.37   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+  74  13.40 +/- 0.97   0.008% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  74  14.50 +/- 1.82   0.007% *  0.0189% (0.14   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+  74  21.10 +/- 2.22   0.001% *  0.0956% (0.71   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 837 (0.80, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.197, support = 5.91, residual support = 42.2:
          QD2   LEU   73 - HN    LYS+  74   3.88 +/- 0.17  99.525% * 97.3229% (0.20   5.91  42.16) =  99.998%  kept
          QD1   ILE   56 - HN    LYS+  74  13.06 +/- 2.00   0.125% *  0.6236% (0.37   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    LYS+  74  10.34 +/- 0.86   0.337% *  0.2076% (0.12   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HN    LYS+  74  20.88 +/- 2.04   0.005% *  1.1748% (0.70   0.02   0.02) =   0.000%
          QD2   LEU  123 - HN    LYS+  74  19.12 +/- 1.61   0.008% *  0.6711% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.13 A, kept.
 
    Peak 838 (1.70, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.636, support = 5.75, residual support = 42.2:
          HB2   LEU   73 - HN    LYS+  74   3.29 +/- 0.52  99.887% * 97.9737% (0.64   5.75  42.16) = 100.000%  kept
          QG1   ILE   56 - HN    LYS+  74  13.00 +/- 1.80   0.042% *  0.2153% (0.40   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    LYS+  74  16.19 +/- 0.88   0.010% *  0.3769% (0.70   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    LYS+  74  16.80 +/- 0.86   0.009% *  0.3794% (0.71   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+  74  14.25 +/- 1.61   0.026% *  0.1297% (0.24   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+  74  16.15 +/- 0.94   0.010% *  0.2906% (0.54   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LYS+  74  17.34 +/- 0.76   0.008% *  0.1705% (0.32   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+  74  22.59 +/- 2.59   0.002% *  0.2460% (0.46   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+  74  19.35 +/- 1.60   0.004% *  0.0753% (0.14   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LYS+  74  22.08 +/- 2.03   0.002% *  0.1427% (0.27   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 839 (1.82, 8.48, 121.30 ppm):
    9 chemical-shift based assignments, quality = 0.49, support = 0.0199, residual support = 0.0199:
          HB2   LEU   71 - HN    LYS+  74   9.16 +/- 0.61  59.081% *  5.8297% (0.27   0.02   0.02) =  39.160%  kept
          HB    VAL   41 - HN    LYS+  74  11.22 +/- 1.18  19.710% * 15.4986% (0.71   0.02   0.02) =  34.731%  kept
          QB    LYS+  66 - HN    LYS+  74  14.42 +/- 0.53   4.169% * 14.9905% (0.68   0.02   0.02) =   7.105%  kept
          HG2   PRO   93 - HN    LYS+  74  14.55 +/- 1.67   5.175% * 11.8708% (0.54   0.02   0.02) =   6.984%  kept
          QB    LYS+  65 - HN    LYS+  74  13.53 +/- 1.15   6.849% *  6.3858% (0.29   0.02   0.02) =   4.972%  kept
          HG12  ILE  103 - HN    LYS+  74  15.84 +/- 1.18   2.507% * 14.6936% (0.67   0.02   0.02) =   4.189%  kept
          HB3   PRO   52 - HN    LYS+  74  18.54 +/- 1.61   1.158% * 11.2793% (0.51   0.02   0.02) =   1.484%  kept
          QB    LYS+ 102 - HN    LYS+  74  18.22 +/- 0.86   1.016% *  8.1723% (0.37   0.02   0.02) =   0.944%  kept
          HG    LEU  123 - HN    LYS+  74  22.23 +/- 1.72   0.336% * 11.2793% (0.51   0.02   0.02) =   0.431%
    Distance limit 4.51 A violated in 20 structures by 3.86 A, eliminated.
    Peak unassigned.
 
    Peak 840 (2.28, 8.95, 120.59 ppm):
    9 chemical-shift based assignments, quality = 0.776, support = 4.76, residual support = 36.7:
          HB3   PHE   72 - HN    LEU   73   3.65 +/- 0.30  76.222% * 69.0215% (0.76   5.14  40.59) =  88.340%  kept
          HB2   ASP-  44 - HN    LEU   73   4.91 +/- 1.08  23.495% * 29.5524% (0.87   1.94   7.18) =  11.659%  kept
          QG    GLU-  15 - HN    LEU   73  10.88 +/- 1.45   0.141% *  0.3326% (0.95   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    LEU   73  11.99 +/- 1.28   0.084% *  0.2937% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    LEU   73  13.82 +/- 1.31   0.028% *  0.1199% (0.34   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LEU   73  16.82 +/- 1.51   0.009% *  0.2415% (0.69   0.02   0.02) =   0.000%
          QB    MET   11 - HN    LEU   73  19.36 +/- 2.53   0.006% *  0.3153% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   73  17.36 +/- 1.08   0.007% *  0.0616% (0.18   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   73  17.40 +/- 0.75   0.007% *  0.0616% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 6.26, residual support = 172.7:
      O   HB2   LEU   73 - HN    LEU   73   3.52 +/- 0.43  99.628% * 99.3783% (0.99  10.0   6.26 172.74) = 100.000%  kept
          QD    LYS+  99 - HN    LEU   73  13.02 +/- 0.91   0.051% *  0.0870% (0.87   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    LEU   73  11.64 +/- 1.48   0.149% *  0.0250% (0.25   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    LEU   73  13.54 +/- 0.62   0.039% *  0.0899% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU   73  14.26 +/- 1.19   0.031% *  0.0689% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU   73  15.87 +/- 0.73   0.015% *  0.0994% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LEU   73  13.19 +/- 0.82   0.046% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LEU   73  18.36 +/- 2.42   0.009% *  0.0728% (0.73   1.0   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU   73  16.25 +/- 1.39   0.013% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU   73  20.89 +/- 2.07   0.004% *  0.0948% (0.95   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU   73  15.64 +/- 0.87   0.017% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.02 A, kept.
 
    Peak 842 (1.40, 8.95, 120.59 ppm):
    15 chemical-shift based assignments, quality = 0.419, support = 6.19, residual support = 160.8:
      O   HB3   LEU   73 - HN    LEU   73   3.09 +/- 0.42  72.312% * 63.0342% (0.41  10.0   6.40 172.74) =  92.875%  kept
          HB    VAL   42 - HN    LEU   73   3.97 +/- 0.77  24.861% * 12.8853% (0.49   1.0   3.45   1.68) =   6.527%  kept
          HB3   LYS+  74 - HN    LEU   73   6.40 +/- 0.43   1.265% * 23.1450% (0.87   1.0   3.48  42.16) =   0.596%  kept
          HG12  ILE   19 - HN    LEU   73   7.54 +/- 1.24   1.249% *  0.0426% (0.28   1.0   0.02   4.00) =   0.001%
          QB    LEU   98 - HN    LEU   73   9.28 +/- 0.82   0.144% *  0.1530% (1.00   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   73  15.12 +/- 2.71   0.027% *  0.1415% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   73  12.40 +/- 1.86   0.028% *  0.1053% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   73  11.80 +/- 0.84   0.031% *  0.0868% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   73  13.03 +/- 1.17   0.019% *  0.0746% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   73  12.27 +/- 2.51   0.034% *  0.0303% (0.20   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   73  17.30 +/- 2.48   0.005% *  0.1281% (0.84   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   73  13.56 +/- 0.68   0.013% *  0.0341% (0.22   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   73  15.32 +/- 1.96   0.006% *  0.0341% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   73  17.40 +/- 1.15   0.003% *  0.0575% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   73  20.03 +/- 2.12   0.002% *  0.0473% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 843 (0.78, 8.95, 120.59 ppm):
    7 chemical-shift based assignments, quality = 0.973, support = 8.03, residual support = 170.7:
          QD2   LEU   73 - HN    LEU   73   2.82 +/- 0.54  90.078% * 82.6460% (0.98   8.07 172.74) =  98.787%  kept
          QG1   VAL   43 - HN    LEU   73   4.97 +/- 0.69   5.437% * 16.7667% (0.38   4.28   8.20) =   1.210%  kept
          QG2   VAL   18 - HN    LEU   73   5.57 +/- 0.87   3.877% *  0.0413% (0.20   0.02   0.02) =   0.002%
          QG1   VAL   41 - HN    LEU   73   7.64 +/- 0.90   0.451% *  0.1182% (0.57   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    LEU   73   9.25 +/- 1.01   0.109% *  0.2084% (1.00   0.02   3.33) =   0.000%
          QD1   ILE   56 - HN    LEU   73  11.84 +/- 1.58   0.042% *  0.1672% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   73  16.97 +/- 2.35   0.004% *  0.0521% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 844 (0.57, 8.95, 120.59 ppm):
    8 chemical-shift based assignments, quality = 0.567, support = 6.12, residual support = 168.3:
          QD1   LEU   73 - HN    LEU   73   4.14 +/- 0.17  74.591% * 85.5843% (0.57   6.26 172.74) =  97.447%  kept
          QG2   VAL   41 - HN    LEU   73   5.76 +/- 0.70  12.545% * 13.0342% (0.61   0.89   0.02) =   2.496%  kept
          QD1   LEU   63 - HN    LEU   73   7.22 +/- 1.42   6.707% *  0.2734% (0.57   0.02   0.02) =   0.028%
          QD2   LEU   63 - HN    LEU   73   8.05 +/- 1.33   2.743% *  0.4830% (1.00   0.02   0.02) =   0.020%
          QD2   LEU   98 - HN    LEU   73   8.00 +/- 1.20   1.956% *  0.1986% (0.41   0.02   0.02) =   0.006%
          QD1   LEU   80 - HN    LEU   73  10.43 +/- 2.26   0.497% *  0.1986% (0.41   0.02   0.02) =   0.002%
          QD2   LEU   80 - HN    LEU   73   9.26 +/- 2.18   0.874% *  0.1075% (0.22   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LEU   73  13.01 +/- 1.13   0.087% *  0.1204% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.02 A, kept.
 
    Peak 845 (0.39, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.46, support = 0.984, residual support = 1.61:
          QG1   VAL   42 - HN    LEU   73   2.73 +/- 0.68  98.573% * 24.3957% (0.45   0.95   1.68) =  95.823%  kept
          QB    ALA   64 - HN    LEU   73   6.35 +/- 0.83   1.402% * 74.7540% (0.73   1.79   0.02) =   4.177%  kept
          QB    ALA   47 - HN    LEU   73  12.92 +/- 0.61   0.023% *  0.6494% (0.57   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HN    LEU   73  18.71 +/- 2.85   0.003% *  0.2009% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 846 (0.07, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.258, support = 1.95, residual support = 8.13:
          QG2   VAL   43 - HN    LEU   73   5.00 +/- 0.76  74.135% * 91.9005% (0.25   1.98   8.20) =  98.661%  kept
          QD2   LEU   31 - HN    LEU   73   6.42 +/- 0.94  22.919% *  3.7248% (1.00   0.02   3.33) =   1.236%  kept
          QG2   VAL   83 - HN    LEU   73   9.37 +/- 0.73   2.090% *  2.7047% (0.73   0.02   0.02) =   0.082%
          QD1   ILE   89 - HN    LEU   73  11.45 +/- 2.21   0.856% *  1.6699% (0.45   0.02   0.02) =   0.021%
    Distance limit 4.51 A violated in 2 structures by 0.39 A, kept.
 
    Peak 847 (2.84, 9.36, 127.59 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.03, residual support = 90.9:
      O   HB2   PHE   72 - HN    PHE   72   2.63 +/- 0.42  98.961% * 99.7503% (0.53  10.0   5.03  90.94) =  99.998%  kept
          HA    ALA   64 - HN    PHE   72   6.47 +/- 0.60   0.974% *  0.1830% (0.97   1.0   0.02  36.83) =   0.002%
          HB3   ASN   69 - HN    PHE   72   9.99 +/- 0.55   0.060% *  0.0293% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    PHE   72  14.61 +/- 1.01   0.005% *  0.0375% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 848 (2.28, 9.36, 127.59 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.27, residual support = 90.9:
      O   HB3   PHE   72 - HN    PHE   72   3.47 +/- 0.42  95.331% * 99.3598% (0.76  10.0   5.27  90.94) =  99.994%  kept
          QG    GLU-  15 - HN    PHE   72   7.42 +/- 1.61   3.273% *  0.1230% (0.95   1.0   0.02   0.02) =   0.004%
          HB2   ASP-  44 - HN    PHE   72   8.59 +/- 1.10   0.722% *  0.1128% (0.87   1.0   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    PHE   72   9.12 +/- 1.56   0.610% *  0.1086% (0.84   1.0   0.02   0.02) =   0.001%
          QB    MET   11 - HN    PHE   72  16.38 +/- 2.15   0.015% *  0.1166% (0.90   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    PHE   72  15.02 +/- 1.16   0.020% *  0.0443% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    PHE   72  15.34 +/- 1.90   0.023% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   72  20.46 +/- 1.60   0.003% *  0.0893% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    PHE   72  21.26 +/- 0.82   0.002% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 849 (1.24, 9.36, 127.59 ppm):
    10 chemical-shift based assignments, quality = 0.985, support = 3.89, residual support = 18.9:
          HG    LEU   71 - HN    PHE   72   4.93 +/- 0.56  39.665% * 90.7212% (0.99   4.13  20.12) =  93.903%  kept
          HG13  ILE   19 - HN    PHE   72   4.95 +/- 1.04  46.157% *  4.0752% (0.95   0.19   0.02) =   4.909%  kept
          QG2   THR   39 - HN    PHE   72   6.02 +/- 0.77  13.152% *  3.4322% (0.65   0.24   0.02) =   1.178%  kept
          HG2   LYS+  74 - HN    PHE   72   9.75 +/- 0.93   0.723% *  0.4424% (1.00   0.02   0.02) =   0.008%
          HG3   LYS+  99 - HN    PHE   72  12.77 +/- 1.31   0.132% *  0.4434% (1.00   0.02   0.02) =   0.002%
          QG2   ILE   56 - HN    PHE   72  13.43 +/- 1.39   0.095% *  0.0987% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    PHE   72  15.04 +/- 1.31   0.046% *  0.1664% (0.38   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    PHE   72  17.53 +/- 0.98   0.016% *  0.2869% (0.65   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    PHE   72  18.90 +/- 2.00   0.011% *  0.1823% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    PHE   72  23.34 +/- 1.94   0.003% *  0.1513% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.07 A, kept.
 
    Peak 850 (0.96, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.958, support = 5.39, residual support = 20.3:
          QD2   LEU   71 - HN    PHE   72   3.41 +/- 0.26  87.598% * 91.3210% (0.97   5.43  20.12) =  98.958%  kept
          QD1   LEU   67 - HN    PHE   72   6.45 +/- 1.63  11.101% *  7.5723% (0.31   1.41  35.30) =   1.040%  kept
          QD2   LEU   40 - HN    PHE   72   7.76 +/- 0.97   1.029% *  0.0968% (0.28   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    PHE   72  10.07 +/- 0.69   0.169% *  0.1832% (0.53   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    PHE   72  13.02 +/- 1.51   0.041% *  0.3361% (0.97   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    PHE   72  13.52 +/- 0.86   0.029% *  0.3475% (1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    PHE   72  13.21 +/- 0.71   0.033% *  0.1432% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 851 (4.02, 9.36, 127.59 ppm):
    8 chemical-shift based assignments, quality = 0.509, support = 1.49, residual support = 20.1:
          HA    VAL   18 - HN    PHE   72   4.64 +/- 0.55  74.881% * 26.9527% (0.31   1.50   6.35) =  59.170%  kept
          HA    VAL   70 - HN    PHE   72   5.93 +/- 0.34  20.069% * 69.2316% (0.80   1.48  40.12) =  40.733%  kept
          HA1   GLY   16 - HN    PHE   72   8.42 +/- 1.48   3.826% *  0.6136% (0.53   0.02   0.02) =   0.069%
          HB2   SER   37 - HN    PHE   72  10.90 +/- 1.00   0.654% *  1.0117% (0.87   0.02   0.02) =   0.019%
          HA    LYS+  33 - HN    PHE   72  12.16 +/- 1.28   0.361% *  0.5677% (0.49   0.02   0.02) =   0.006%
          HA    GLU-  29 - HN    PHE   72  13.54 +/- 1.13   0.169% *  0.3979% (0.34   0.02   0.02) =   0.002%
          HA    GLN  116 - HN    PHE   72  18.12 +/- 1.00   0.024% *  0.9340% (0.80   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    PHE   72  19.64 +/- 1.37   0.016% *  0.2908% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.79 A violated in 0 structures by 0.04 A, kept.
 
    Peak 852 (2.20, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 6.26, residual support = 33.1:
          HB    VAL   70 - HN    LEU   71   4.16 +/- 0.14  98.148% * 98.9313% (0.98   6.26  33.06) =  99.997%  kept
          QG    GLN   17 - HN    LEU   71  10.39 +/- 1.02   0.511% *  0.3220% (1.00   0.02   0.02) =   0.002%
          HB2   MET   96 - HN    LEU   71  10.35 +/- 0.77   0.471% *  0.2088% (0.65   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    LEU   71  10.57 +/- 1.02   0.428% *  0.0897% (0.28   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    LEU   71  11.02 +/- 1.35   0.415% *  0.0718% (0.22   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LEU   71  17.92 +/- 0.66   0.016% *  0.3198% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LEU   71  19.01 +/- 0.61   0.011% *  0.0565% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 853 (1.81, 8.15, 128.27 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 6.38, residual support = 138.9:
      O   HB2   LEU   71 - HN    LEU   71   2.74 +/- 0.36  98.755% * 99.5111% (0.98  10.0   6.38 138.88) =  99.999%  kept
          HB    VAL   41 - HN    LEU   71   6.85 +/- 0.91   1.022% *  0.0455% (0.45   1.0   0.02   4.38) =   0.000%
          QB    LYS+  66 - HN    LEU   71   9.86 +/- 0.79   0.128% *  0.0657% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU   71  11.70 +/- 0.59   0.033% *  0.1006% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LEU   71  12.01 +/- 1.29   0.036% *  0.0534% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   71  12.68 +/- 1.20   0.013% *  0.1013% (1.00   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   71  12.67 +/- 1.17   0.012% *  0.0313% (0.31   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   71  19.40 +/- 1.17   0.001% *  0.0910% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.02 A, kept.
 
    Peak 855 (1.24, 8.15, 128.27 ppm):
    10 chemical-shift based assignments, quality = 0.981, support = 5.74, residual support = 134.9:
          HG    LEU   71 - HN    LEU   71   3.63 +/- 0.92  45.152% * 96.0311% (0.99   5.91 138.88) =  97.142%  kept
          QG2   THR   39 - HN    LEU   71   3.40 +/- 0.88  54.257% *  2.3479% (0.65   0.22   0.22) =   2.854%  kept
          HG13  ILE   19 - HN    LEU   71   8.57 +/- 1.37   0.291% *  0.3104% (0.95   0.02   0.02) =   0.002%
          HG3   LYS+  99 - HN    LEU   71   8.70 +/- 1.37   0.241% *  0.3281% (1.00   0.02   0.02) =   0.002%
          HG2   LYS+  74 - HN    LEU   71  13.24 +/- 0.92   0.013% *  0.3274% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   71  11.37 +/- 1.46   0.033% *  0.1231% (0.38   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   71  14.71 +/- 1.47   0.009% *  0.0730% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   71  18.79 +/- 1.19   0.002% *  0.2122% (0.65   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    LEU   71  20.37 +/- 1.92   0.001% *  0.1349% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    LEU   71  23.78 +/- 2.01   0.000% *  0.1119% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.04 A, kept.
 
    Peak 856 (0.86, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.908, support = 5.97, residual support = 85.8:
          QG1   VAL   70 - HN    LEU   71   3.73 +/- 0.44  46.623% * 52.6070% (0.98   5.84  33.06) =  50.176%  kept
          QD1   LEU   71 - HN    LEU   71   3.59 +/- 0.82  52.032% * 46.8038% (0.84   6.10 138.88) =  49.820%  kept
          HB3   LEU   63 - HN    LEU   71   9.00 +/- 1.50   0.740% *  0.1262% (0.69   0.02   0.02) =   0.002%
          QG1   VAL   18 - HN    LEU   71   8.66 +/- 1.02   0.486% *  0.1837% (1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - HN    LEU   71  12.57 +/- 2.34   0.055% *  0.1534% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    LEU   71  11.76 +/- 1.11   0.060% *  0.0894% (0.49   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    LEU   71  17.35 +/- 1.03   0.005% *  0.0364% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 857 (0.19, 8.15, 128.27 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 6.46, residual support = 33.1:
          QG2   VAL   70 - HN    LEU   71   2.42 +/- 0.34 100.000% *100.0000% (0.73   6.46  33.06) = 100.000%  kept
    Distance limit 3.19 A violated in 0 structures by 0.02 A, kept.
 
    Peak 858 (2.19, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 81.3:
      O   HB    VAL   70 - HN    VAL   70   2.62 +/- 0.40  99.857% * 99.6297% (0.76  10.0   4.31  81.32) = 100.000%  kept
          QG    GLN   17 - HN    VAL   70   9.08 +/- 1.41   0.112% *  0.1089% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    VAL   70  12.27 +/- 1.01   0.021% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    VAL   70  13.61 +/- 0.68   0.008% *  0.0445% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   70  21.08 +/- 1.09   0.001% *  0.1203% (0.92   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   70  19.14 +/- 1.78   0.001% *  0.0228% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.04 A, kept.
 
    Peak 859 (1.44, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.821, support = 0.762, residual support = 2.9:
          HB3   LEU   67 - HN    VAL   70   4.42 +/- 1.00  62.040% * 31.5932% (0.87   0.79   0.40) =  85.103%  kept
          HG    LEU   40 - HN    VAL   70   7.39 +/- 0.98   6.040% * 27.0615% (0.61   0.97  35.66) =   7.097%  kept
          HG    LEU   67 - HN    VAL   70   5.37 +/- 1.11  28.848% *  5.3032% (0.49   0.24   0.40) =   6.643%  kept
          QG    LYS+  66 - HN    VAL   70   8.71 +/- 1.05   1.300% * 14.1980% (0.98   0.32   0.02) =   0.801%  kept
          HG    LEU   73 - HN    VAL   70  10.34 +/- 0.71   0.413% * 18.4422% (0.99   0.41   0.02) =   0.331%
          HG12  ILE   19 - HN    VAL   70   9.70 +/- 1.66   1.066% *  0.3777% (0.41   0.02   0.02) =   0.017%
          QB    ALA   61 - HN    VAL   70  11.22 +/- 0.59   0.243% *  0.6672% (0.73   0.02   0.02) =   0.007%
          HG2   LYS+ 102 - HN    VAL   70  17.54 +/- 1.44   0.016% *  0.8691% (0.95   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    VAL   70  17.35 +/- 1.09   0.019% *  0.5573% (0.61   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    VAL   70  19.67 +/- 1.56   0.009% *  0.4472% (0.49   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    VAL   70  21.18 +/- 1.97   0.006% *  0.4834% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.05 A, kept.
 
    Peak 860 (0.86, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.924, support = 4.82, residual support = 80.7:
          QG1   VAL   70 - HN    VAL   70   2.73 +/- 0.47  98.065% * 53.2686% (0.92   4.83  81.32) =  98.617%  kept
          QD1   LEU   71 - HN    VAL   70   6.07 +/- 1.13   1.592% * 46.0117% (1.00   3.85  33.06) =   1.383%  kept
          QG1   VAL   18 - HN    VAL   70   9.41 +/- 0.88   0.105% *  0.1996% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    VAL   70   8.32 +/- 1.04   0.176% *  0.0815% (0.34   0.02   0.02) =   0.000%
          QD1   LEU  123 - HN    VAL   70  10.93 +/- 2.56   0.050% *  0.2390% (1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    VAL   70  13.21 +/- 1.58   0.012% *  0.1996% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 861 (0.18, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.89, residual support = 81.3:
          QG2   VAL   70 - HN    VAL   70   3.70 +/- 0.14 100.000% *100.0000% (0.98   3.89  81.32) = 100.000%  kept
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 862 (2.90, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.55, support = 2.99, residual support = 59.6:
      O   HB2   ASN   69 - HD22  ASN   69   3.82 +/- 0.27  97.642% * 99.7633% (0.55  10.0   2.99  59.57) =  99.999%  kept
          QE    LYS+  33 - HD22  ASN   69  13.30 +/- 2.97   1.640% *  0.0227% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+  66 - HD22  ASN   69  10.32 +/- 2.02   0.712% *  0.0227% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD22  ASN   69  24.77 +/- 1.16   0.001% *  0.1018% (0.56   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD22  ASN   69  21.46 +/- 1.31   0.004% *  0.0157% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   69  28.54 +/- 1.47   0.001% *  0.0739% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 863 (0.86, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.559, support = 3.25, residual support = 25.8:
          QG1   VAL   70 - HD22  ASN   69   3.86 +/- 1.28  83.655% * 92.0146% (0.56   3.29  26.09) =  98.775%  kept
          QD1   LEU   71 - HD22  ASN   69   8.05 +/- 2.30  15.178% *  6.2557% (0.53   0.24   0.02) =   1.218%  kept
          QD1   LEU  123 - HD22  ASN   69  10.32 +/- 3.41   0.588% *  0.5305% (0.53   0.02   0.02) =   0.004%
          HB3   LEU  104 - HD22  ASN   69  12.10 +/- 2.58   0.243% *  0.3628% (0.36   0.02   0.02) =   0.001%
          HB3   LEU   63 - HD22  ASN   69  10.61 +/- 1.25   0.275% *  0.2951% (0.30   0.02   0.02) =   0.001%
          QG1   VAL   18 - HD22  ASN   69  12.90 +/- 1.02   0.061% *  0.5413% (0.54   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.02 A, kept.
 
    Peak 864 (4.99, 8.82, 114.58 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.96, residual support = 2.96:
          HA    LEU   67 - HN    ASN   69   3.68 +/- 0.67 100.000% *100.0000% (0.92   2.96   2.96) = 100.000%  kept
    Distance limit 4.65 A violated in 0 structures by 0.02 A, kept.
 
    Peak 865 (3.74, 8.82, 114.58 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.97, residual support = 31.6:
          HD2   PRO   68 - HN    ASN   69   2.78 +/- 0.42  99.973% * 99.1839% (0.80   5.97  31.55) = 100.000%  kept
          HA    ALA   61 - HN    ASN   69  12.19 +/- 0.74   0.024% *  0.3922% (0.95   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASN   69  18.50 +/- 0.96   0.002% *  0.2682% (0.65   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ASN   69  19.72 +/- 0.71   0.001% *  0.1556% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 866 (3.33, 8.82, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.97, residual support = 31.6:
          HD3   PRO   68 - HN    ASN   69   3.84 +/- 0.41  99.962% * 98.4652% (0.99   5.97  31.55) = 100.000%  kept
          HB2   PHE   59 - HN    ASN   69  15.81 +/- 1.10   0.026% *  0.2541% (0.76   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    ASN   69  20.81 +/- 1.80   0.006% *  0.3209% (0.97   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    ASN   69  22.77 +/- 1.14   0.003% *  0.3209% (0.97   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASN   69  24.22 +/- 1.37   0.002% *  0.3318% (1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASN   69  25.28 +/- 2.33   0.002% *  0.3070% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.67 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 = 0.543, support = 0.02, residual support = 0.02:
          HA    ALA   64 - HN    ASN   69   7.03 +/- 0.70  79.754% * 14.1837% (0.31   0.02   0.02) =  58.281%  kept
          QE    LYS+  66 - HN    ASN   69   9.18 +/- 1.25  19.810% * 39.8620% (0.87   0.02   0.02) =  40.685%  kept
          HB3   ASN   35 - HN    ASN   69  17.39 +/- 0.87   0.436% * 45.9543% (1.00   0.02   0.02) =   1.033%  kept
    Distance limit 3.87 A violated in 20 structures by 2.88 A, eliminated.
    Peak unassigned.
 
    Peak 868 (2.17, 8.82, 114.58 ppm):
    9 chemical-shift based assignments, quality = 0.154, support = 3.84, residual support = 26.1:
          HB    VAL   70 - HN    ASN   69   4.39 +/- 0.52  98.436% * 89.1826% (0.15   3.84  26.09) =  99.983%  kept
          HB2   LYS+  38 - HN    ASN   69  12.93 +/- 1.10   0.243% *  2.9816% (0.99   0.02   0.02) =   0.008%
          QG    GLN   17 - HN    ASN   69   9.88 +/- 1.18   1.188% *  0.5953% (0.20   0.02   0.02) =   0.008%
          QB    GLU-  36 - HN    ASN   69  14.86 +/- 1.21   0.096% *  0.5268% (0.18   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    ASN   69  21.36 +/- 1.63   0.011% *  2.4088% (0.80   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ASN   69  19.70 +/- 1.22   0.016% *  1.2367% (0.41   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ASN   69  23.44 +/- 0.94   0.005% *  0.8364% (0.28   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   69  30.57 +/- 1.51   0.001% *  1.8246% (0.61   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ASN   69  25.02 +/- 0.95   0.004% *  0.4071% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 1 structures by 0.11 A, kept.
 
    Peak 869 (2.03, 8.82, 114.58 ppm):
    14 chemical-shift based assignments, quality = 0.931, support = 6.03, residual support = 31.6:
      O   HB3   PRO   68 - HN    ASN   69   4.11 +/- 0.41  33.643% * 95.4467% (0.99  10.0   6.04  31.55) =  92.980%  kept
          HG2   PRO   68 - HN    ASN   69   3.68 +/- 1.15  61.558% *  3.9329% (0.14   1.0   6.04  31.55) =   7.010%  kept
          QB    GLU-  15 - HN    ASN   69   6.63 +/- 1.97   4.477% *  0.0699% (0.73   1.0   0.02   0.02) =   0.009%
          HB2   GLN   17 - HN    ASN   69  12.08 +/- 1.05   0.083% *  0.0699% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASN   69  11.33 +/- 1.05   0.136% *  0.0169% (0.18   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASN   69  15.21 +/- 1.27   0.023% *  0.0835% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASN   69  14.60 +/- 1.33   0.028% *  0.0545% (0.57   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ASN   69  15.35 +/- 1.85   0.025% *  0.0545% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASN   69  15.52 +/- 1.34   0.016% *  0.0623% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASN   69  23.88 +/- 2.00   0.002% *  0.0771% (0.80   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASN   69  19.49 +/- 1.37   0.005% *  0.0214% (0.22   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASN   69  22.42 +/- 1.42   0.002% *  0.0328% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASN   69  24.06 +/- 1.01   0.001% *  0.0507% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASN   69  24.51 +/- 2.47   0.002% *  0.0268% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 870 (1.88, 8.82, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.375, support = 5.49, residual support = 31.6:
          HG3   PRO   68 - HN    ASN   69   3.75 +/- 0.63  99.617% * 92.7613% (0.38   5.49  31.55) =  99.997%  kept
          HB3   LYS+  38 - HN    ASN   69  12.42 +/- 1.02   0.109% *  0.8512% (0.95   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ASN   69  12.76 +/- 1.47   0.133% *  0.5458% (0.61   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    ASN   69  15.09 +/- 0.97   0.037% *  0.7205% (0.80   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ASN   69  14.47 +/- 1.65   0.049% *  0.4380% (0.49   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASN   69  16.50 +/- 1.37   0.022% *  0.7205% (0.80   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASN   69  19.90 +/- 1.61   0.008% *  0.8979% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASN   69  17.86 +/- 0.86   0.013% *  0.4034% (0.45   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASN   69  19.01 +/- 1.28   0.008% *  0.3699% (0.41   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASN   69  25.75 +/- 1.35   0.001% *  0.5821% (0.65   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASN   69  24.28 +/- 2.13   0.002% *  0.4034% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASN   69  26.93 +/- 0.81   0.001% *  0.6877% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASN   69  30.28 +/- 1.47   0.001% *  0.6181% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.06 A, kept.
 
    Peak 871 (0.87, 8.82, 114.58 ppm):
    7 chemical-shift based assignments, quality = 0.724, support = 4.43, residual support = 25.9:
          QG1   VAL   70 - HN    ASN   69   3.57 +/- 0.59  93.512% * 87.7210% (0.73   4.46  26.09) =  99.291%  kept
          QD1   LEU   71 - HN    ASN   69   7.84 +/- 1.75   5.448% * 10.6681% (0.49   0.81   0.02) =   0.703%  kept
          HB3   LEU   63 - HN    ASN   69   9.35 +/- 1.05   0.464% *  0.5231% (0.97   0.02   0.02) =   0.003%
          QD1   LEU  123 - HN    ASN   69  10.48 +/- 2.64   0.370% *  0.2639% (0.49   0.02   0.02) =   0.001%
          QG1   VAL   18 - HN    ASN   69  11.07 +/- 0.94   0.159% *  0.4528% (0.84   0.02   0.02) =   0.001%
          HB3   LEU  104 - HN    ASN   69  14.19 +/- 2.05   0.043% *  0.1073% (0.20   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    ASN   69  20.37 +/- 1.15   0.004% *  0.2639% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 0.953, support = 3.9, residual support = 18.2:
          HD2   PRO   68 - HN    LEU   67   4.13 +/- 0.68  37.439% * 96.2123% (1.00   3.96  17.89) =  95.337%  kept
          HA    VAL   24 - HE3   TRP   27   3.74 +/- 1.36  61.369% *  2.8618% (0.04   2.74  23.65) =   4.648%  kept
          HA    ALA   61 - HN    LEU   67   7.37 +/- 0.17   1.132% *  0.4702% (0.97   0.02   0.02) =   0.014%
          HD3   PRO   58 - HN    LEU   67  13.42 +/- 0.52   0.033% *  0.1504% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HE3   TRP   27  16.62 +/- 1.76   0.013% *  0.0591% (0.12   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LEU   67  20.23 +/- 0.99   0.003% *  0.1662% (0.34   0.02   0.02) =   0.000%
          HD2   PRO   68 - HE3   TRP   27  18.54 +/- 1.60   0.006% *  0.0611% (0.13   0.02   0.02) =   0.000%
          HD3   PRO   58 - HE3   TRP   27  19.74 +/- 1.27   0.004% *  0.0189% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 873 (3.34, 7.34, 119.88 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.11, residual support = 17.9:
          HD3   PRO   68 - HN    LEU   67   3.31 +/- 0.76  99.760% * 97.2719% (0.76   4.11  17.89) =  99.999%  kept
          HB2   PHE   59 - HN    LEU   67  11.07 +/- 0.64   0.159% *  0.2548% (0.41   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   67  16.55 +/- 1.30   0.012% *  0.4257% (0.69   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   67  18.49 +/- 0.96   0.006% *  0.5863% (0.95   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   67  20.08 +/- 1.46   0.006% *  0.4963% (0.80   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   67  20.44 +/- 2.31   0.004% *  0.6075% (0.98   0.02   0.02) =   0.000%
          HB3   CYS   53 - HE3   TRP   27  17.02 +/- 1.48   0.014% *  0.0737% (0.12   0.02   0.02) =   0.000%
          HD3   PRO   93 - HE3   TRP   27  16.47 +/- 1.33   0.013% *  0.0624% (0.10   0.02   0.02) =   0.000%
          HB2   PHE   59 - HE3   TRP   27  17.43 +/- 1.89   0.014% *  0.0320% (0.05   0.02   0.02) =   0.000%
          HD3   PRO   68 - HE3   TRP   27  19.28 +/- 1.47   0.005% *  0.0595% (0.10   0.02   0.02) =   0.000%
          QB    PHE   55 - HE3   TRP   27  19.50 +/- 0.86   0.005% *  0.0535% (0.09   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HE3   TRP   27  22.44 +/- 2.89   0.002% *  0.0764% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 1.33, residual support = 4.33:
          HA    ALA   64 - HN    LEU   67   3.16 +/- 0.27  97.574% * 22.0474% (0.65   1.05   3.84) =  92.108%  kept
          QE    LYS+  66 - HN    LEU   67   6.05 +/- 0.44   2.386% * 77.2484% (0.53   4.54  10.10) =   7.892%  kept
          HB3   ASN   35 - HE3   TRP   27  14.03 +/- 1.48   0.019% *  0.0680% (0.10   0.02   0.02) =   0.000%
          HA    ALA   64 - HE3   TRP   27  15.23 +/- 1.63   0.017% *  0.0526% (0.08   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    LEU   67  20.75 +/- 0.65   0.001% *  0.5407% (0.84   0.02   0.02) =   0.000%
          QE    LYS+  66 - HE3   TRP   27  20.62 +/- 1.24   0.002% *  0.0428% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 875 (1.98, 7.34, 119.88 ppm):
    18 chemical-shift based assignments, quality = 0.607, support = 4.73, residual support = 56.9:
      O   HB2   LEU   67 - HN    LEU   67   2.63 +/- 0.34  97.475% * 99.1951% (0.61  10.0   4.73  56.91) =  99.997%  kept
          HG2   PRO   68 - HN    LEU   67   5.60 +/- 0.83   2.202% *  0.1058% (0.65   1.0   0.02  17.89) =   0.002%
          HB    VAL   18 - HN    LEU   67   9.59 +/- 1.64   0.079% *  0.0558% (0.34   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU   67  11.08 +/- 1.09   0.024% *  0.0926% (0.57   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HE3   TRP   27   9.97 +/- 1.60   0.099% *  0.0116% (0.07   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    LEU   67  14.24 +/- 0.56   0.006% *  0.1578% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LEU   67  14.83 +/- 0.96   0.004% *  0.1547% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE3   TRP   27   9.16 +/- 0.93   0.085% *  0.0041% (0.02   1.0   0.02   0.36) =   0.000%
          QB    GLU- 114 - HN    LEU   67  16.14 +/- 1.45   0.003% *  0.0796% (0.49   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HE3   TRP   27  12.73 +/- 1.49   0.014% *  0.0070% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HE3   TRP   27  16.45 +/- 1.92   0.004% *  0.0125% (0.08   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   67  20.05 +/- 1.99   0.001% *  0.0252% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HE3   TRP   27  20.29 +/- 1.32   0.001% *  0.0194% (0.12   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HE3   TRP   27  18.91 +/- 1.60   0.001% *  0.0100% (0.06   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HE3   TRP   27  20.24 +/- 1.53   0.001% *  0.0133% (0.08   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HE3   TRP   27  22.16 +/- 1.42   0.000% *  0.0198% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   67  24.21 +/- 0.91   0.000% *  0.0324% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HE3   TRP   27  21.42 +/- 1.95   0.001% *  0.0032% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 876 (1.82, 7.34, 119.88 ppm):
    20 chemical-shift based assignments, quality = 0.942, support = 4.36, residual support = 9.88:
          QB    LYS+  66 - HN    LEU   67   3.05 +/- 0.32  90.614% * 78.5657% (0.95   4.43  10.10) =  97.800%  kept
          QB    LYS+  65 - HN    LEU   67   4.74 +/- 0.22   8.320% * 19.2390% (0.76   1.34   0.02) =   2.199%  kept
          HB2   LEU   71 - HN    LEU   67  10.54 +/- 0.77   0.074% *  0.2725% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LEU   67   9.59 +/- 1.36   0.179% *  0.0836% (0.22   0.02   0.02) =   0.000%
          HB    VAL   41 - HE3   TRP   27   8.75 +/- 1.54   0.389% *  0.0378% (0.10   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU   67  11.30 +/- 2.83   0.073% *  0.1408% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   71 - HE3   TRP   27   9.76 +/- 1.79   0.256% *  0.0343% (0.09   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU   67  14.03 +/- 0.80   0.012% *  0.3005% (0.80   0.02   0.02) =   0.000%
          HG12  ILE  103 - HE3   TRP   27  12.14 +/- 1.90   0.041% *  0.0305% (0.08   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   67  17.94 +/- 1.57   0.003% *  0.3720% (0.99   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   67  17.46 +/- 1.21   0.003% *  0.3255% (0.87   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   67  17.84 +/- 1.51   0.003% *  0.2428% (0.65   0.02   0.02) =   0.000%
          HG2   PRO   93 - HE3   TRP   27  16.38 +/- 1.60   0.010% *  0.0468% (0.12   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HE3   TRP   27  15.06 +/- 1.77   0.009% *  0.0409% (0.11   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   67  21.02 +/- 1.29   0.001% *  0.1408% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  66 - HE3   TRP   27  17.76 +/- 1.25   0.003% *  0.0446% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  65 - HE3   TRP   27  18.12 +/- 1.32   0.003% *  0.0361% (0.10   0.02   0.02) =   0.000%
          HB3   GLN   17 - HE3   TRP   27  16.76 +/- 1.71   0.005% *  0.0105% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   52 - HE3   TRP   27  20.70 +/- 1.22   0.001% *  0.0177% (0.05   0.02   0.02) =   0.000%
          HG    LEU  123 - HE3   TRP   27  24.64 +/- 2.19   0.000% *  0.0177% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.505, support = 4.62, residual support = 53.3:
      O   HB3   LEU   67 - HN    LEU   67   3.44 +/- 0.37  49.763% * 39.3511% (0.25  10.0   4.07  56.91) =  59.771%  kept
          HG    LEU   67 - HN    LEU   67   4.10 +/- 0.80  24.459% * 43.5499% (1.00   1.0   5.53  56.91) =  32.512%  kept
          QG    LYS+  66 - HN    LEU   67   4.26 +/- 0.40  15.669% * 16.1261% (0.41   1.0   4.97  10.10) =   7.712%  kept
          HG    LEU   73 - HE3   TRP   27   5.70 +/- 1.51   9.347% *  0.0120% (0.08   1.0   0.02  23.98) =   0.003%
          HG    LEU   40 - HN    LEU   67  10.11 +/- 1.05   0.078% *  0.1564% (0.99   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   67   7.63 +/- 0.21   0.423% *  0.0243% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU   67  10.00 +/- 1.02   0.093% *  0.0708% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   67  11.13 +/- 1.98   0.057% *  0.1084% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   67  12.54 +/- 0.74   0.022% *  0.0957% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   67  13.92 +/- 1.32   0.013% *  0.1564% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   67  12.96 +/- 1.29   0.018% *  0.1084% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HE3   TRP   27  13.10 +/- 1.71   0.022% *  0.0197% (0.12   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   67  20.26 +/- 1.85   0.001% *  0.1146% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE3   TRP   27  14.26 +/- 1.92   0.010% *  0.0089% (0.06   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HE3   TRP   27  17.10 +/- 1.57   0.003% *  0.0198% (0.13   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE3   TRP   27  17.31 +/- 2.12   0.004% *  0.0144% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HE3   TRP   27  18.95 +/- 1.24   0.002% *  0.0197% (0.12   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HE3   TRP   27  15.29 +/- 1.54   0.007% *  0.0031% (0.02   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HE3   TRP   27  19.84 +/- 1.66   0.001% *  0.0136% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HE3   TRP   27  16.75 +/- 2.11   0.004% *  0.0049% (0.03   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HE3   TRP   27  20.44 +/- 1.45   0.001% *  0.0136% (0.09   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HE3   TRP   27  18.78 +/- 1.29   0.002% *  0.0082% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 878 (0.96, 7.34, 119.88 ppm):
    14 chemical-shift based assignments, quality = 0.308, support = 3.9, residual support = 56.8:
          QD1   LEU   67 - HN    LEU   67   3.78 +/- 0.50  90.529% * 92.7697% (0.31   3.91  56.91) =  99.872%  kept
          QD2   LEU   71 - HN    LEU   67   8.74 +/- 1.36   4.409% *  1.4837% (0.97   0.02   0.02) =   0.078%
          QG2   ILE  119 - HN    LEU   67   7.77 +/- 1.83   2.436% *  1.4837% (0.97   0.02   0.02) =   0.043%
          QD2   LEU   40 - HN    LEU   67   9.08 +/- 0.95   0.642% *  0.4275% (0.28   0.02   0.02) =   0.003%
          QD2   LEU   71 - HE3   TRP   27   9.93 +/- 1.42   0.602% *  0.1865% (0.12   0.02   0.02) =   0.001%
          QD1   ILE  103 - HE3   TRP   27  10.47 +/- 1.75   0.472% *  0.1928% (0.13   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    LEU   67  14.24 +/- 1.26   0.050% *  0.8089% (0.53   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HE3   TRP   27  10.44 +/- 1.26   0.342% *  0.1017% (0.07   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    LEU   67  16.15 +/- 1.09   0.019% *  1.5340% (1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    LEU   67  14.51 +/- 1.06   0.037% *  0.6321% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   40 - HE3   TRP   27  11.04 +/- 1.50   0.224% *  0.0537% (0.03   0.02   0.02) =   0.000%
          QG2   ILE  103 - HE3   TRP   27  12.00 +/- 1.44   0.149% *  0.0795% (0.05   0.02   0.02) =   0.000%
          QD1   LEU   67 - HE3   TRP   27  13.50 +/- 1.77   0.080% *  0.0597% (0.04   0.02   0.02) =   0.000%
          QG2   ILE  119 - HE3   TRP   27  17.97 +/- 1.44   0.010% *  0.1865% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.07 A, kept.
 
    Peak 879 (3.95, 7.27, 117.25 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 6.03, residual support = 25.3:
      O   HA    LYS+  65 - HN    LYS+  66   3.52 +/- 0.05  98.269% * 98.9277% (0.61  10.0   6.03  25.34) =  99.998%  kept
          HA2   GLY   16 - HN    LYS+  66   7.68 +/- 1.36   1.412% *  0.1120% (0.69   1.0   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    LYS+  66  10.55 +/- 2.38   0.225% *  0.1574% (0.97   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  66  13.05 +/- 2.48   0.055% *  0.1463% (0.90   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  66  14.07 +/- 1.33   0.028% *  0.0923% (0.57   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  66  17.82 +/- 1.05   0.006% *  0.1543% (0.95   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  66  21.43 +/- 1.91   0.003% *  0.1362% (0.84   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  66  21.47 +/- 1.85   0.002% *  0.1617% (0.99   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  66  26.24 +/- 0.85   0.001% *  0.1120% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 880 (3.50, 7.27, 117.25 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 1.61, residual support = 5.49:
          HA    LEU   63 - HN    LYS+  66   3.44 +/- 0.24  99.997% * 98.5959% (0.99   1.61   5.49) = 100.000%  kept
          HB2   HIS   22 - HN    LYS+  66  22.62 +/- 1.20   0.001% *  0.8496% (0.69   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    LYS+  66  21.56 +/- 1.21   0.002% *  0.5545% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 881 (2.85, 7.27, 117.25 ppm):
    4 chemical-shift based assignments, quality = 0.89, support = 4.28, residual support = 16.2:
          HA    ALA   64 - HN    LYS+  66   3.98 +/- 0.27  77.098% * 77.2272% (0.95   4.20   8.13) =  92.278%  kept
          QE    LYS+  66 - HN    LYS+  66   5.05 +/- 0.49  22.144% * 22.4972% (0.22   5.20 113.08) =   7.721%  kept
          HB2   PHE   72 - HN    LYS+  66   8.92 +/- 0.95   0.756% *  0.0865% (0.22   0.02   0.18) =   0.001%
          HB3   ASN   35 - HN    LYS+  66  22.75 +/- 0.67   0.002% *  0.1891% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 882 (1.81, 7.27, 117.25 ppm):
    8 chemical-shift based assignments, quality = 0.674, support = 5.04, residual support = 106.3:
      O   QB    LYS+  66 - HN    LYS+  66   2.27 +/- 0.15  84.292% * 68.5976% (0.65  10.0   4.97 113.08) =  92.256%  kept
          QB    LYS+  65 - HN    LYS+  66   3.04 +/- 0.17  15.676% * 30.9615% (0.99   1.0   5.89  25.34) =   7.744%  kept
          HB3   GLN   17 - HN    LYS+  66   9.88 +/- 1.77   0.025% *  0.0558% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  66  12.35 +/- 0.91   0.005% *  0.1039% (0.98   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  66  17.16 +/- 1.76   0.001% *  0.0951% (0.90   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  66  15.63 +/- 0.74   0.001% *  0.0475% (0.45   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  66  18.71 +/- 1.11   0.000% *  0.1058% (1.00   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  66  18.96 +/- 1.50   0.000% *  0.0327% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 883 (1.47, 7.27, 117.25 ppm):
    10 chemical-shift based assignments, quality = 0.312, support = 4.13, residual support = 90.4:
          QG    LYS+  66 - HN    LYS+  66   3.02 +/- 0.59  92.057% * 21.9809% (0.15   4.53 113.08) =  77.933%  kept
          HG    LEU   67 - HN    LYS+  66   5.95 +/- 1.08   7.658% * 74.8027% (0.87   2.74  10.10) =  22.061%  kept
          QB    ALA  120 - HN    LYS+  66  10.54 +/- 1.80   0.089% *  0.6074% (0.97   0.02   0.02) =   0.002%
          HG    LEU  115 - HN    LYS+  66  11.73 +/- 1.06   0.049% *  0.6074% (0.97   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    LYS+  66  11.75 +/- 0.95   0.046% *  0.4810% (0.76   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    LYS+  66  11.87 +/- 0.89   0.043% *  0.5039% (0.80   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    LYS+  66  12.87 +/- 1.17   0.025% *  0.4810% (0.76   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+  66  13.83 +/- 0.59   0.014% *  0.1750% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  66  13.80 +/- 1.32   0.016% *  0.1245% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LYS+  66  21.66 +/- 1.95   0.001% *  0.2362% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.05 A, kept.
 
    Peak 884 (0.40, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.57, residual support = 8.13:
          QB    ALA   64 - HN    LYS+  66   4.33 +/- 0.19 100.000% *100.0000% (0.95   3.57   8.13) = 100.000%  kept
    Distance limit 4.48 A violated in 0 structures by 0.03 A, kept.
 
    Peak 885 (3.96, 6.90, 114.80 ppm):
    12 chemical-shift based assignments, quality = 0.638, support = 6.09, residual support = 164.2:
      O   HA    LYS+  65 - HN    LYS+  65   2.82 +/- 0.04  99.430% * 99.3218% (0.64  10.0   6.09 164.17) =  99.999%  kept
          HA2   GLY   16 - HN    LYS+  65   7.18 +/- 1.17   0.531% *  0.1038% (0.67   1.0   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    LYS+  65  12.18 +/- 1.83   0.021% *  0.1018% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  65  14.70 +/- 1.79   0.006% *  0.0609% (0.39   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  65  16.96 +/- 1.02   0.002% *  0.0696% (0.45   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  65  14.75 +/- 0.89   0.005% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  65  19.69 +/- 1.89   0.001% *  0.0822% (0.53   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  65  19.64 +/- 1.94   0.001% *  0.0524% (0.34   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  65  19.33 +/- 1.08   0.001% *  0.0367% (0.24   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  65  25.11 +/- 0.96   0.000% *  0.1038% (0.67   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  65  22.78 +/- 1.08   0.000% *  0.0213% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  65  26.47 +/- 1.37   0.000% *  0.0188% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 4.84, residual support = 28.2:
      O   HA    ALA   64 - HN    LYS+  65   3.59 +/- 0.03  96.124% * 99.9016% (0.65  10.0   4.84  28.16) =  99.999%  kept
          QE    LYS+  66 - HN    LYS+  65   6.80 +/- 0.70   2.627% *  0.0235% (0.15   1.0   0.02  25.34) =   0.001%
          HB2   PHE   72 - HN    LYS+  65   7.86 +/- 1.08   1.248% *  0.0235% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    LYS+  65  23.15 +/- 0.82   0.001% *  0.0514% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (1.82, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.525, support = 6.56, residual support = 163.4:
      O   QB    LYS+  65 - HN    LYS+  65   2.22 +/- 0.13  98.107% * 78.1547% (0.53  10.0   6.59 164.17) =  99.503%  kept
          QB    LYS+  66 - HN    LYS+  65   4.44 +/- 0.28   1.795% * 21.3334% (0.65   1.0   4.41  25.34) =   0.497%
          HB3   GLN   17 - HN    LYS+  65   8.25 +/- 1.87   0.087% *  0.0228% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  65  12.39 +/- 0.79   0.004% *  0.0743% (0.50   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  65  12.48 +/- 2.14   0.005% *  0.0384% (0.26   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  65  15.92 +/- 1.54   0.001% *  0.1014% (0.68   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  65  15.81 +/- 0.67   0.001% *  0.0819% (0.55   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  65  19.62 +/- 0.85   0.000% *  0.0887% (0.60   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  65  19.37 +/- 1.33   0.000% *  0.0662% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  65  18.65 +/- 1.05   0.000% *  0.0384% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 888 (1.48, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.137, support = 5.41, residual support = 164.1:
          HG2   LYS+  65 - HN    LYS+  65   2.95 +/- 0.55  98.655% * 91.2624% (0.14   5.41 164.17) =  99.986%  kept
          HG    LEU   67 - HN    LYS+  65   7.33 +/- 1.04   1.051% *  0.8964% (0.36   0.02   0.02) =   0.010%
          HG    LEU  115 - HN    LYS+  65  11.54 +/- 0.98   0.080% *  1.6117% (0.65   0.02   0.02) =   0.001%
          QB    ALA  120 - HN    LYS+  65  11.79 +/- 1.34   0.060% *  1.6117% (0.65   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    LYS+  65  12.97 +/- 0.93   0.030% *  1.7000% (0.69   0.02   0.02) =   0.001%
          HB2   LYS+  74 - HN    LYS+  65  11.95 +/- 1.56   0.036% *  0.8293% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LYS+  65  12.58 +/- 1.12   0.037% *  0.7004% (0.28   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LYS+  65  12.67 +/- 0.84   0.029% *  0.7004% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+  65  14.52 +/- 2.28   0.015% *  0.2629% (0.11   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  65  15.17 +/- 1.27   0.008% *  0.4248% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.03 A, kept.
 
    Peak 890 (1.35, 6.90, 114.80 ppm):
    17 chemical-shift based assignments, quality = 0.217, support = 4.9, residual support = 142.2:
          HG3   LYS+  65 - HN    LYS+  65   3.47 +/- 0.49  87.664% * 43.7965% (0.17   5.34 164.17) =  86.456%  kept
          HB2   LEU   63 - HN    LYS+  65   5.08 +/- 0.30  11.866% * 50.6739% (0.50   2.12   1.58) =  13.540%  kept
          HB3   ASP-  44 - HN    LYS+  65  11.51 +/- 1.43   0.086% *  0.5498% (0.58   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LYS+  65  12.39 +/- 2.21   0.073% *  0.6226% (0.65   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  65  10.06 +/- 0.51   0.187% *  0.1641% (0.17   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    LYS+  65  14.33 +/- 1.45   0.033% *  0.6524% (0.68   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+  65  13.51 +/- 0.93   0.033% *  0.2032% (0.21   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  65  17.09 +/- 1.05   0.009% *  0.6524% (0.68   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  65  16.52 +/- 1.75   0.017% *  0.2706% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  65  17.50 +/- 0.62   0.007% *  0.3463% (0.36   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+  65  20.22 +/- 1.19   0.003% *  0.6568% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LYS+  65  17.56 +/- 1.35   0.008% *  0.1153% (0.12   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  65  20.13 +/- 1.31   0.003% *  0.2470% (0.26   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LYS+  65  20.80 +/- 1.10   0.002% *  0.2951% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  65  21.82 +/- 1.34   0.002% *  0.3992% (0.42   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  65  18.98 +/- 1.48   0.005% *  0.1303% (0.14   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  65  23.02 +/- 1.15   0.001% *  0.2245% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 891 (0.40, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.654, support = 4.84, residual support = 28.2:
          QB    ALA   64 - HN    LYS+  65   2.72 +/- 0.18 100.000% *100.0000% (0.65   4.84  28.16) = 100.000%  kept
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 892 (3.74, 6.46, 118.53 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 0.75, residual support = 7.46:
          HA    ALA   61 - HN    ALA   64   3.56 +/- 0.20  98.350% * 95.1123% (0.95   0.75   7.46) =  99.964%  kept
          HD2   PRO   68 - HN    ALA   64   7.92 +/- 1.20   1.330% *  2.1470% (0.80   0.02   0.02) =   0.031%
          HD3   PRO   58 - HN    ALA   64   9.59 +/- 0.42   0.298% *  1.7345% (0.65   0.02   0.02) =   0.006%
          HA    VAL   75 - HN    ALA   64  14.74 +/- 1.03   0.022% *  1.0063% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 893 (2.85, 6.46, 118.53 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.22, residual support = 20.8:
      O   HA    ALA   64 - HN    ALA   64   2.82 +/- 0.04  98.935% * 99.9016% (0.95  10.0   4.22  20.84) = 100.000%  kept
          HB2   PHE   72 - HN    ALA   64   6.64 +/- 0.93   0.808% *  0.0235% (0.22   1.0   0.02  36.83) =   0.000%
          QE    LYS+  66 - HN    ALA   64   7.72 +/- 0.50   0.257% *  0.0235% (0.22   1.0   0.02   8.13) =   0.000%
          HB3   ASN   35 - HN    ALA   64  21.83 +/- 0.83   0.000% *  0.0514% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 894 (1.80, 6.46, 118.53 ppm):
    9 chemical-shift based assignments, quality = 0.868, support = 4.65, residual support = 26.3:
          QB    LYS+  65 - HN    ALA   64   4.41 +/- 0.23  64.129% * 82.5039% (0.92   4.87  28.16) =  90.566%  kept
          QB    LYS+  66 - HN    ALA   64   4.96 +/- 0.38  34.194% * 16.1031% (0.34   2.57   8.13) =   9.425%  kept
          HB3   GLN   17 - HN    ALA   64   9.04 +/- 1.37   1.142% *  0.3067% (0.84   0.02   2.44) =   0.006%
          HB2   LEU   71 - HN    ALA   64  11.02 +/- 0.90   0.310% *  0.3473% (0.95   0.02   0.02) =   0.002%
          HG2   PRO   93 - HN    ALA   64  14.09 +/- 1.74   0.093% *  0.2227% (0.61   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    ALA   64  13.90 +/- 0.64   0.067% *  0.0727% (0.20   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    ALA   64  18.04 +/- 0.79   0.014% *  0.3067% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ALA   64  15.07 +/- 1.44   0.048% *  0.0727% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    ALA   64  23.47 +/- 1.33   0.003% *  0.0643% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.61 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 = 0.724, support = 7.29, residual support = 54.7:
          HB2   LEU   63 - HN    ALA   64   2.95 +/- 0.35  96.725% * 81.8099% (0.73   7.31  54.82) =  99.473%  kept
          HG3   LYS+  65 - HN    ALA   64   5.67 +/- 0.63   2.680% * 15.6004% (0.25   4.06  28.16) =   0.525%  kept
          HB3   ASP-  44 - HN    ALA   64   9.33 +/- 1.62   0.135% *  0.2575% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   64  12.37 +/- 1.63   0.079% *  0.3055% (0.99   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   64   8.16 +/- 0.53   0.285% *  0.0769% (0.25   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   64  12.69 +/- 1.94   0.025% *  0.2916% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   64  11.68 +/- 0.96   0.030% *  0.0951% (0.31   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   64  15.04 +/- 1.15   0.008% *  0.3055% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   64  15.57 +/- 1.52   0.010% *  0.1267% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   64  15.35 +/- 0.68   0.006% *  0.1622% (0.53   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA   64  18.51 +/- 1.16   0.002% *  0.3076% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   64  16.29 +/- 1.33   0.006% *  0.0540% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   64  18.59 +/- 1.32   0.002% *  0.1157% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   64  19.09 +/- 1.07   0.002% *  0.1382% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA   64  19.91 +/- 1.53   0.001% *  0.1870% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   64  17.96 +/- 1.40   0.003% *  0.0610% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   64  21.20 +/- 1.09   0.001% *  0.1052% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 896 (1.05, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 6.79, residual support = 54.8:
          HG    LEU   63 - HN    ALA   64   4.25 +/- 1.03  86.761% * 98.5928% (0.53   6.79  54.82) =  99.982%  kept
          QD1   ILE  119 - HN    ALA   64   6.57 +/- 1.10  12.853% *  0.1092% (0.20   0.02   0.02) =   0.016%
          HG3   LYS+ 112 - HN    ALA   64  14.98 +/- 2.03   0.085% *  0.5092% (0.92   0.02   0.02) =   0.001%
          QG2   VAL  108 - HN    ALA   64  13.75 +/- 1.03   0.127% *  0.3346% (0.61   0.02   0.02) =   0.000%
          HB2   LEU  104 - HN    ALA   64  13.66 +/- 0.98   0.145% *  0.2473% (0.45   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    ALA   64  17.79 +/- 1.17   0.029% *  0.2070% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.16 A, kept.
 
    Peak 897 (0.88, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.75, residual support = 54.8:
          HB3   LEU   63 - HN    ALA   64   3.51 +/- 0.51  90.688% * 99.3346% (0.97   6.75  54.82) =  99.987%  kept
          QG1   VAL   70 - HN    ALA   64   6.79 +/- 1.23   5.109% *  0.1253% (0.41   0.02   0.02) =   0.007%
          QG1   VAL   18 - HN    ALA   64   6.75 +/- 1.07   3.107% *  0.1604% (0.53   0.02   8.61) =   0.006%
          QD1   LEU  123 - HN    ALA   64   9.33 +/- 1.82   0.828% *  0.0679% (0.22   0.02   0.02) =   0.001%
          QD1   LEU   71 - HN    ALA   64  10.21 +/- 1.64   0.249% *  0.0679% (0.22   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    ALA   64  15.28 +/- 0.93   0.019% *  0.2441% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.06 A, kept.
 
    Peak 898 (0.57, 6.46, 118.53 ppm):
    8 chemical-shift based assignments, quality = 0.832, support = 6.16, residual support = 54.8:
          QD2   LEU   63 - HN    ALA   64   4.34 +/- 0.53  49.932% * 60.4106% (1.00   5.84  54.82) =  61.370%  kept
          QD1   LEU   63 - HN    ALA   64   4.35 +/- 0.33  48.585% * 39.0786% (0.57   6.67  54.82) =  38.628%  kept
          QD2   LEU  115 - HN    ALA   64   8.57 +/- 0.85   1.001% *  0.0516% (0.25   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    ALA   64  11.23 +/- 0.61   0.190% *  0.1172% (0.57   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ALA   64  11.66 +/- 0.49   0.147% *  0.1256% (0.61   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    ALA   64  12.98 +/- 1.10   0.085% *  0.0851% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   64  16.27 +/- 1.74   0.026% *  0.0851% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   64  15.34 +/- 1.39   0.033% *  0.0461% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 899 (0.40, 6.46, 118.53 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 4.22, residual support = 20.8:
      O   QB    ALA   64 - HN    ALA   64   2.05 +/- 0.07 100.000% *100.0000% (0.95  10.0   4.22  20.84) = 100.000%  kept
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 900 (4.22, 7.59, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.25, residual support = 42.5:
      O   HA    ASP-  62 - HN    LEU   63   3.62 +/- 0.03  99.915% * 99.8321% (0.97  10.0   5.25  42.50) = 100.000%  kept
          HA    SER  117 - HN    LEU   63  12.14 +/- 1.04   0.080% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LEU   63  20.06 +/- 1.27   0.004% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LEU   63  25.78 +/- 1.43   0.001% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 12.0:
          HA    PHE   60 - HN    LEU   63   3.41 +/- 0.22  99.590% * 92.4872% (0.69   1.50  12.02) =  99.996%  kept
          HA    ALA  120 - HN    LEU   63   9.92 +/- 1.46   0.236% *  0.6124% (0.34   0.02   0.02) =   0.002%
          QB    SER  117 - HN    LEU   63  11.68 +/- 0.91   0.075% *  1.7794% (0.99   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    LEU   63  12.30 +/- 1.44   0.060% *  1.3720% (0.76   0.02   0.02) =   0.001%
          HB    THR   94 - HN    LEU   63  14.12 +/- 0.96   0.026% *  1.2332% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU   63  17.54 +/- 1.44   0.007% *  1.4995% (0.84   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU   63  18.43 +/- 1.73   0.005% *  1.0164% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 902 (3.51, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 7.54, residual support = 242.6:
      O   HA    LEU   63 - HN    LEU   63   2.78 +/- 0.04  99.999% * 99.8508% (0.76  10.0   7.54 242.62) = 100.000%  kept
          HA2   GLY  101 - HN    LEU   63  21.36 +/- 1.06   0.001% *  0.1046% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LEU   63  21.88 +/- 1.21   0.000% *  0.0446% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 903 (2.65, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.25, residual support = 42.5:
          HB2   ASP-  62 - HN    LEU   63   3.18 +/- 0.57  99.970% * 99.7494% (0.98   5.25  42.50) = 100.000%  kept
          QB    ASP- 113 - HN    LEU   63  13.86 +/- 0.57   0.021% *  0.0767% (0.20   0.02   0.02) =   0.000%
          HB2   PRO   52 - HN    LEU   63  16.29 +/- 1.16   0.009% *  0.1739% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.01 A, kept.
 
    Peak 904 (2.45, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.25, residual support = 42.5:
          HB3   ASP-  62 - HN    LEU   63   2.89 +/- 0.46  99.988% * 98.9530% (0.95   5.25  42.50) = 100.000%  kept
          HG3   MET   96 - HN    LEU   63  14.66 +/- 0.62   0.010% *  0.3680% (0.92   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    LEU   63  22.80 +/- 1.18   0.001% *  0.2257% (0.57   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    LEU   63  24.39 +/- 2.48   0.001% *  0.2895% (0.73   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    LEU   63  24.40 +/- 1.56   0.000% *  0.1639% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.01 A, kept.
 
    Peak 905 (1.35, 7.59, 120.97 ppm):
    17 chemical-shift based assignments, quality = 0.726, support = 7.95, residual support = 242.6:
      O   HB2   LEU   63 - HN    LEU   63   2.15 +/- 0.11  99.805% * 98.8228% (0.73  10.0   7.95 242.62) = 100.000%  kept
          HG3   LYS+  65 - HN    LEU   63   6.59 +/- 0.68   0.141% *  0.0339% (0.25   1.0   0.02   1.58) =   0.000%
          HB3   ASP-  44 - HN    LEU   63   9.78 +/- 1.64   0.017% *  0.1137% (0.84   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   63  11.49 +/- 1.71   0.010% *  0.1349% (0.99   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   63  12.10 +/- 1.56   0.004% *  0.1287% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LEU   63   9.56 +/- 0.77   0.015% *  0.0339% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   63  13.21 +/- 1.34   0.002% *  0.0559% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   63  15.63 +/- 1.12   0.001% *  0.1349% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   63  13.29 +/- 1.08   0.002% *  0.0420% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   63  14.55 +/- 0.65   0.001% *  0.0716% (0.53   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   63  18.86 +/- 1.29   0.000% *  0.1358% (1.00   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   63  16.51 +/- 1.27   0.001% *  0.0511% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   63  17.01 +/- 1.28   0.000% *  0.0238% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   63  20.92 +/- 1.71   0.000% *  0.0825% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LEU   63  20.69 +/- 0.75   0.000% *  0.0610% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   63  21.38 +/- 1.16   0.000% *  0.0464% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   63  20.08 +/- 1.26   0.000% *  0.0269% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 906 (1.07, 7.59, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 7.55, residual support = 242.6:
          HG    LEU   63 - HN    LEU   63   3.10 +/- 0.47  99.394% * 99.5031% (1.00   7.55 242.62) = 100.000%  kept
          QG1   VAL  107 - HN    LEU   63   7.92 +/- 0.77   0.553% *  0.0462% (0.18   0.02   0.43) =   0.000%
          HG3   LYS+ 112 - HN    LEU   63  12.76 +/- 1.88   0.050% *  0.1918% (0.73   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LEU   63  18.94 +/- 1.15   0.003% *  0.2589% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.13 A, kept.
 
    Peak 907 (0.88, 7.59, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 7.59, residual support = 242.6:
      O   HB3   LEU   63 - HN    LEU   63   3.42 +/- 0.09  96.533% * 99.7743% (0.97  10.0   7.59 242.62) =  99.999%  kept
          QG1   VAL   70 - HN    LEU   63   7.90 +/- 1.20   1.070% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          QD1   LEU  123 - HN    LEU   63   8.02 +/- 1.78   1.437% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    LEU   63   8.38 +/- 1.08   0.602% *  0.0544% (0.53   1.0   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LEU   63  11.85 +/- 1.95   0.337% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    LEU   63  14.15 +/- 0.79   0.020% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 908 (0.58, 7.59, 120.97 ppm):
    9 chemical-shift based assignments, quality = 0.87, support = 6.95, residual support = 242.6:
          QD1   LEU   63 - HN    LEU   63   3.53 +/- 0.24  56.474% * 47.7921% (0.90   6.49 242.62) =  55.856%  kept
          QD2   LEU   63 - HN    LEU   63   3.70 +/- 0.72  41.227% * 51.7339% (0.84   7.54 242.62) =  44.139%  kept
          QD2   LEU  115 - HN    LEU   63   6.45 +/- 0.83   2.178% *  0.0930% (0.57   0.02   0.02) =   0.004%
          QD1   LEU   73 - HN    LEU   63  12.67 +/- 0.70   0.027% *  0.1474% (0.90   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   63  12.13 +/- 1.26   0.042% *  0.0507% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   63  12.84 +/- 0.56   0.024% *  0.0457% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   63  16.39 +/- 1.41   0.006% *  0.0864% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   63  13.62 +/- 1.13   0.019% *  0.0254% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   63  17.28 +/- 1.73   0.004% *  0.0254% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 909 (2.65, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.845, support = 3.84, residual support = 41.0:
      O   HB2   ASP-  62 - HN    ASP-  62   2.80 +/- 0.43  99.985% * 99.9341% (0.84  10.0   3.84  41.03) = 100.000%  kept
          HB2   PRO   52 - HN    ASP-  62  15.42 +/- 1.06   0.005% *  0.0457% (0.39   1.0   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    ASP-  62  13.88 +/- 0.81   0.009% *  0.0202% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.07 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   2.38 +/- 0.37  99.998% * 99.7231% (0.82  10.0   3.84  41.03) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  62  16.33 +/- 0.83   0.002% *  0.0973% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    ASP-  62  23.68 +/- 0.90   0.000% *  0.0597% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  62  26.28 +/- 2.49   0.000% *  0.0766% (0.63   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  62  25.67 +/- 1.65   0.000% *  0.0433% (0.35   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 911 (1.84, 7.86, 120.86 ppm):
    14 chemical-shift based assignments, quality = 0.376, support = 0.0198, residual support = 0.0198:
          QB    LYS+  66 - HN    ASP-  62   6.21 +/- 0.72  86.695% *  5.0993% (0.32   0.02   0.02) =  80.362%  kept
          HG    LEU  123 - HN    ASP-  62  11.99 +/- 1.64   2.954% * 12.8527% (0.82   0.02   0.02) =   6.902%  kept
          HG3   PRO   68 - HN    ASP-  62  11.86 +/- 1.27   3.597% *  8.7895% (0.56   0.02   0.02) =   5.746%  kept
          HG2   ARG+  54 - HN    ASP-  62  12.97 +/- 1.14   1.210% *  7.6923% (0.49   0.02   0.02) =   1.692%  kept
          HB3   ASP- 105 - HN    ASP-  62  13.43 +/- 1.14   1.284% *  7.1484% (0.45   0.02   0.02) =   1.668%  kept
          HB3   PRO   52 - HN    ASP-  62  14.88 +/- 0.76   0.505% * 12.8527% (0.82   0.02   0.02) =   1.180%  kept
          HG2   PRO   93 - HN    ASP-  62  12.58 +/- 1.73   2.017% *  2.3795% (0.15   0.02   0.02) =   0.872%  kept
          QB    LYS+ 106 - HN    ASP-  62  13.63 +/- 0.78   1.056% *  3.3879% (0.21   0.02   0.02) =   0.650%  kept
          HB    VAL   41 - HN    ASP-  62  17.05 +/- 0.88   0.267% *  7.6923% (0.49   0.02   0.02) =   0.373%
          HG12  ILE  103 - HN    ASP-  62  19.33 +/- 1.34   0.135% *  9.8662% (0.63   0.02   0.02) =   0.243%
          HB    ILE  103 - HN    ASP-  62  20.31 +/- 0.94   0.093% *  8.2409% (0.52   0.02   0.02) =   0.139%
          QB    LYS+  33 - HN    ASP-  62  19.77 +/- 1.42   0.112% *  5.5858% (0.35   0.02   0.02) =   0.113%
          HB3   GLN   90 - HN    ASP-  62  23.26 +/- 1.94   0.041% *  4.6346% (0.29   0.02   0.02) =   0.034%
          QB    LYS+  81 - HN    ASP-  62  23.33 +/- 1.47   0.036% *  3.7777% (0.24   0.02   0.02) =   0.024%
    Distance limit 4.31 A violated in 20 structures by 1.74 A, eliminated.
    Peak unassigned.
 
    Peak 912 (1.42, 7.86, 120.86 ppm):
    12 chemical-shift based assignments, quality = 0.796, support = 2.79, residual support = 8.34:
          QB    ALA   61 - HN    ASP-  62   2.79 +/- 0.16  98.558% * 94.7960% (0.80   2.79   8.34) =  99.993%  kept
          QG    LYS+  66 - HN    ASP-  62   6.18 +/- 1.06   1.334% *  0.4468% (0.52   0.02   0.02) =   0.006%
          HB3   LEU   67 - HN    ASP-  62  10.16 +/- 0.80   0.052% *  0.5898% (0.69   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ASP-  62  12.41 +/- 2.13   0.019% *  0.7366% (0.86   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  13.09 +/- 1.40   0.013% *  0.3585% (0.42   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  14.60 +/- 1.52   0.006% *  0.7301% (0.85   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  14.47 +/- 1.45   0.007% *  0.3875% (0.45   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  14.50 +/- 0.75   0.006% *  0.3028% (0.35   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  16.28 +/- 0.85   0.003% *  0.1837% (0.21   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  21.11 +/- 1.67   0.001% *  0.7349% (0.86   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  20.78 +/- 1.60   0.001% *  0.5060% (0.59   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  23.35 +/- 1.74   0.000% *  0.2273% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 913 (1.82, 7.59, 120.97 ppm):
    10 chemical-shift based assignments, quality = 0.846, support = 1.59, residual support = 3.34:
          QB    LYS+  65 - HN    LEU   63   4.78 +/- 0.39  47.374% * 54.9066% (0.76   1.93   1.58) =  55.042%  kept
          QB    LYS+  66 - HN    LEU   63   4.70 +/- 0.63  51.343% * 41.3725% (0.95   1.18   5.49) =  44.948%  kept
          HG2   PRO   93 - HN    LEU   63  12.95 +/- 1.89   0.205% *  0.7368% (0.99   0.02   0.02) =   0.003%
          HG    LEU  123 - HN    LEU   63  10.75 +/- 1.68   0.527% *  0.2790% (0.38   0.02   0.02) =   0.003%
          HB2   LEU   71 - HN    LEU   63  12.86 +/- 1.24   0.150% *  0.5398% (0.73   0.02   0.02) =   0.002%
          HB3   GLN   17 - HN    LEU   63  11.38 +/- 1.45   0.286% *  0.1655% (0.22   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    LEU   63  15.04 +/- 0.84   0.046% *  0.5952% (0.80   0.02   0.02) =   0.001%
          HG12  ILE  103 - HN    LEU   63  17.35 +/- 1.22   0.020% *  0.4809% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   63  15.68 +/- 0.92   0.035% *  0.2790% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   63  18.18 +/- 0.84   0.014% *  0.6448% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 914 (3.93, 7.72, 117.18 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 4.99, residual support = 41.9:
      O   HA    PHE   60 - HN    ALA   61   3.63 +/- 0.02  99.795% * 99.3945% (0.69  10.0   4.99  41.95) = 100.000%  kept
          QB    SER  117 - HN    ALA   61  13.49 +/- 0.69   0.040% *  0.1434% (0.99   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA   61  13.46 +/- 1.25   0.048% *  0.0994% (0.69   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA   61  14.23 +/- 1.37   0.035% *  0.1209% (0.84   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ALA   61  13.34 +/- 0.99   0.045% *  0.0494% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA   61  15.56 +/- 1.79   0.022% *  0.0819% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    ALA   61  15.77 +/- 0.77   0.015% *  0.1106% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 915 (3.74, 7.72, 117.18 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.76, residual support = 18.0:
      O   HA    ALA   61 - HN    ALA   61   2.80 +/- 0.04  98.224% * 99.8077% (0.95  10.0   2.76  17.99) =  99.999%  kept
          HD3   PRO   58 - HN    ALA   61   5.54 +/- 0.35   1.752% *  0.0683% (0.65   1.0   0.02   1.04) =   0.001%
          HD2   PRO   68 - HN    ALA   61  12.36 +/- 1.35   0.018% *  0.0845% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA   61  14.28 +/- 1.46   0.007% *  0.0396% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 916 (3.41, 7.72, 117.18 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.91, residual support = 41.9:
          HB2   PHE   60 - HN    ALA   61   2.63 +/- 0.36  99.940% * 99.4688% (0.84   4.91  41.95) = 100.000%  kept
          HB    THR   46 - HN    ALA   61  10.27 +/- 1.95   0.059% *  0.0960% (0.20   0.02   0.02) =   0.000%
          HB2   TRP   87 - HN    ALA   61  19.80 +/- 1.44   0.001% *  0.4351% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 917 (2.97, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.99, residual support = 41.9:
          HB3   PHE   60 - HN    ALA   61   3.45 +/- 0.62  99.876% * 99.1910% (0.98   4.99  41.95) = 100.000%  kept
          HB2   PHE   97 - HN    ALA   61  13.99 +/- 1.63   0.089% *  0.1667% (0.41   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    ALA   61  15.54 +/- 1.20   0.022% *  0.3517% (0.87   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   61  17.18 +/- 1.69   0.011% *  0.1522% (0.38   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ALA   61  24.34 +/- 1.60   0.001% *  0.1383% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 918 (1.44, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 4.02, residual support = 18.0:
      O   QB    ALA   61 - HN    ALA   61   2.05 +/- 0.08  99.931% * 99.0576% (0.73  10.0   4.02  17.99) = 100.000%  kept
          QG    LYS+  66 - HN    ALA   61   8.29 +/- 1.01   0.034% *  0.1337% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   61   9.20 +/- 1.14   0.017% *  0.0827% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   61  11.23 +/- 0.76   0.004% *  0.1183% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   61  11.72 +/- 2.44   0.006% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   61  11.62 +/- 1.18   0.004% *  0.0664% (0.49   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA   61  13.50 +/- 1.02   0.001% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   61  14.69 +/- 1.46   0.001% *  0.0827% (0.61   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   61  13.78 +/- 1.61   0.001% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   61  19.08 +/- 1.86   0.000% *  0.0718% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   61  23.65 +/- 1.81   0.000% *  0.1290% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 920 (3.72, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.756, support = 6.1, residual support = 40.7:
          HD3   PRO   58 - HN    PHE   59   2.31 +/- 0.08  99.861% * 99.4993% (0.76   6.10  40.67) = 100.000%  kept
          HA    ALA   61 - HN    PHE   59   7.03 +/- 0.26   0.136% *  0.1136% (0.26   0.02   0.49) =   0.000%
          HA    VAL   75 - HN    PHE   59  16.36 +/- 1.65   0.001% *  0.3213% (0.74   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    PHE   59  14.50 +/- 1.42   0.002% *  0.0659% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 921 (3.33, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.765, support = 4.37, residual support = 58.8:
      O   HB2   PHE   59 - HN    PHE   59   2.55 +/- 0.28  99.591% * 99.5977% (0.76  10.0   4.37  58.77) = 100.000%  kept
          QB    PHE   55 - HN    PHE   59   6.96 +/- 0.58   0.314% *  0.0951% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    PHE   59   9.74 +/- 1.19   0.044% *  0.0690% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    PHE   59  11.53 +/- 2.05   0.023% *  0.0872% (0.67   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    PHE   59  10.92 +/- 1.22   0.022% *  0.0609% (0.47   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   59  13.73 +/- 1.32   0.006% *  0.0901% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 922 (3.17, 7.25, 119.50 ppm):
    3 chemical-shift based assignments, quality = 0.669, support = 4.98, residual support = 58.8:
      O   HB3   PHE   59 - HN    PHE   59   2.32 +/- 0.40  99.655% * 99.9594% (0.67  10.0   4.98  58.77) = 100.000%  kept
          HB2   PHE   95 - HN    PHE   59   8.66 +/- 1.36   0.344% *  0.0178% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    PHE   59  17.89 +/- 0.57   0.001% *  0.0228% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.02 A, kept.
 
    Peak 923 (2.38, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.192, support = 6.61, residual support = 40.7:
      O   HB2   PRO   58 - HN    PHE   59   3.32 +/- 0.37  99.476% * 98.5251% (0.19  10.0   6.61  40.67) =  99.998%  kept
          HB2   GLN  116 - HN    PHE   59   9.11 +/- 1.11   0.312% *  0.3300% (0.64   1.0   0.02   0.32) =   0.001%
          HB3   PHE   97 - HN    PHE   59  13.85 +/- 2.41   0.207% *  0.2714% (0.53   1.0   0.02   0.02) =   0.001%
          QG    GLU-  79 - HN    PHE   59  19.64 +/- 1.56   0.003% *  0.3164% (0.62   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    PHE   59  24.15 +/- 1.72   0.001% *  0.3647% (0.71   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   59  25.43 +/- 1.37   0.001% *  0.1923% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 924 (2.08, 7.25, 119.50 ppm):
    8 chemical-shift based assignments, quality = 0.756, support = 6.3, residual support = 40.7:
          HG2   PRO   58 - HN    PHE   59   2.85 +/- 0.37  99.675% * 98.7281% (0.76   6.30  40.67) = 100.000%  kept
          HB2   PRO   93 - HN    PHE   59   9.39 +/- 2.27   0.199% *  0.1315% (0.32   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    PHE   59   9.80 +/- 0.81   0.090% *  0.0560% (0.14   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    PHE   59  13.15 +/- 0.67   0.015% *  0.3134% (0.76   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   59  13.52 +/- 1.28   0.015% *  0.0433% (0.10   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    PHE   59  16.61 +/- 1.31   0.005% *  0.0889% (0.21   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    PHE   59  20.94 +/- 2.13   0.001% *  0.3190% (0.77   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    PHE   59  30.18 +/- 1.91   0.000% *  0.3198% (0.77   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (1.90, 7.25, 119.50 ppm):
    8 chemical-shift based assignments, quality = 0.688, support = 6.26, residual support = 40.5:
      O   HB3   PRO   58 - HN    PHE   59   4.08 +/- 0.35  69.658% * 97.6194% (0.69  10.0   6.30  40.67) =  99.103%  kept
          HB    ILE   56 - HN    PHE   59   5.05 +/- 1.06  30.236% *  2.0356% (0.19   1.0   1.50  20.70) =   0.897%  kept
          HB2   MET   92 - HN    PHE   59  13.83 +/- 1.18   0.049% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   59  14.08 +/- 1.31   0.047% *  0.0271% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   59  20.93 +/- 1.15   0.004% *  0.0616% (0.44   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   59  21.09 +/- 1.76   0.004% *  0.0573% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   59  24.82 +/- 1.55   0.001% *  0.0409% (0.29   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   59  30.33 +/- 2.11   0.000% *  0.0790% (0.56   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.13 A, kept.
 
    Peak 926 (1.71, 7.25, 119.50 ppm):
    9 chemical-shift based assignments, quality = 0.669, support = 4.26, residual support = 20.7:
          QG1   ILE   56 - HN    PHE   59   3.64 +/- 0.46  99.664% * 97.7319% (0.67   4.26  20.70) =  99.999%  kept
          HB3   MET   92 - HN    PHE   59  12.43 +/- 1.30   0.106% *  0.2369% (0.35   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    PHE   59  13.72 +/- 1.70   0.051% *  0.4232% (0.62   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    PHE   59  12.66 +/- 1.65   0.085% *  0.1803% (0.26   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    PHE   59  16.12 +/- 1.44   0.016% *  0.3206% (0.47   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    PHE   59  17.88 +/- 2.01   0.010% *  0.4414% (0.64   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    PHE   59  13.34 +/- 1.15   0.054% *  0.0815% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    PHE   59  19.37 +/- 1.54   0.005% *  0.4039% (0.59   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    PHE   59  18.50 +/- 1.65   0.008% *  0.1803% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 0.353, support = 0.02, residual support = 1.92:
          HA    ALA   61 - HN    ALA   57   8.38 +/- 0.85  97.771% * 14.7090% (0.34   0.02   2.00) =  96.072%  kept
          HD2   PRO   68 - HN    ALA   57  17.42 +/- 1.86   1.660% * 22.6869% (0.53   0.02   0.02) =   2.516%  kept
          HA    VAL   24 - HN    ALA   57  21.20 +/- 1.36   0.446% * 41.6148% (0.97   0.02   0.02) =   1.240%  kept
          HA    LYS+  38 - HN    ALA   57  26.60 +/- 2.09   0.123% * 20.9893% (0.49   0.02   0.02) =   0.172%
    Distance limit 3.53 A violated in 20 structures by 4.82 A, eliminated.
    Peak unassigned.
 
    Peak 928 (3.36, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.403, support = 0.203, residual support = 0.02:
          HD2   ARG+  54 - HN    ALA   57   7.52 +/- 1.77  39.534% * 86.4494% (0.41   0.22   0.02) =  90.590%  kept
          HB3   CYS   53 - HN    ALA   57   7.08 +/- 1.15  47.177% *  6.4725% (0.34   0.02   0.02) =   8.094%  kept
          HD3   PRO   93 - HN    ALA   57   9.69 +/- 2.60  12.708% *  3.7551% (0.20   0.02   0.02) =   1.265%  kept
          HD3   PRO   68 - HN    ALA   57  16.69 +/- 1.66   0.581% *  3.3231% (0.18   0.02   0.02) =   0.051%
    Distance limit 4.50 A violated in 14 structures by 1.50 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 929 (1.90, 7.41, 127.14 ppm):
    8 chemical-shift based assignments, quality = 0.554, support = 4.81, residual support = 29.3:
          HB    ILE   56 - HN    ALA   57   4.15 +/- 0.81  76.059% * 25.6659% (0.25   5.34  33.13) =  52.934%  kept
          HB3   PRO   58 - HN    ALA   57   5.33 +/- 0.36  23.740% * 73.1116% (0.90   4.23  24.98) =  47.064%  kept
          HB2   MET   92 - HN    ALA   57  12.54 +/- 1.64   0.138% *  0.2801% (0.73   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    ALA   57  15.09 +/- 1.52   0.052% *  0.0962% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   57  21.85 +/- 1.23   0.005% *  0.2184% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    ALA   57  22.20 +/- 1.83   0.005% *  0.2029% (0.53   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   57  27.25 +/- 2.21   0.001% *  0.1448% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ALA   57  31.46 +/- 2.74   0.001% *  0.2801% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.06 A, kept.
 
    Peak 930 (1.64, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 4.87, residual support = 24.3:
      O   QB    ALA   57 - HN    ALA   57   2.34 +/- 0.43  99.952% * 99.4737% (0.92  10.0   4.87  24.32) = 100.000%  kept
          HD2   LYS+  74 - HN    ALA   57  11.46 +/- 1.99   0.021% *  0.1068% (0.99   1.0   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   57  11.53 +/- 1.25   0.015% *  0.0525% (0.49   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   57  14.08 +/- 1.71   0.005% *  0.0966% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   57  15.34 +/- 1.58   0.006% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ALA   57  17.65 +/- 1.15   0.001% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA   57  19.50 +/- 1.89   0.001% *  0.0443% (0.41   1.0   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ALA   57  23.13 +/- 1.86   0.000% *  0.0697% (0.65   1.0   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   57  25.61 +/- 2.00   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.03 A, kept.
 
    Peak 931 (1.26, 7.41, 127.14 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 5.34, residual support = 33.1:
          QG2   ILE   56 - HN    ALA   57   3.47 +/- 0.46  99.743% * 97.4851% (0.87   5.34  33.13) =  99.999%  kept
          HG2   LYS+  74 - HN    ALA   57  11.78 +/- 1.73   0.169% *  0.1888% (0.45   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ALA   57  12.83 +/- 1.33   0.062% *  0.4064% (0.97   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   57  18.44 +/- 1.64   0.005% *  0.4064% (0.97   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   57  18.53 +/- 1.50   0.006% *  0.2893% (0.69   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   57  19.24 +/- 1.51   0.004% *  0.2893% (0.69   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   57  18.97 +/- 1.62   0.006% *  0.1437% (0.34   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   57  20.26 +/- 1.35   0.003% *  0.1731% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   57  23.19 +/- 2.89   0.001% *  0.2050% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   57  28.57 +/- 2.52   0.000% *  0.4128% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.05 A, kept.
 
    Peak 932 (2.88, 7.68, 113.30 ppm):
    5 chemical-shift based assignments, quality = 0.363, support = 3.63, residual support = 59.6:
      O   HB2   ASN   69 - HD21  ASN   69   2.89 +/- 0.54  99.851% * 99.6854% (0.36  10.0   3.63  59.57) = 100.000%  kept
          QE    LYS+  66 - HD21  ASN   69  10.65 +/- 1.74   0.141% *  0.1287% (0.47   1.0   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD21  ASN   69  15.36 +/- 1.38   0.007% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD21  ASN   69  23.99 +/- 1.06   0.001% *  0.0811% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   69  27.82 +/- 1.38   0.000% *  0.0238% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 933 (0.88, 7.68, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.317, support = 4.12, residual support = 25.9:
          QG1   VAL   70 - HD21  ASN   69   3.47 +/- 1.14  83.942% * 94.6182% (0.32   4.15  26.09) =  99.369%  kept
          QD1   LEU   71 - HD21  ASN   69   7.29 +/- 2.20  15.566% *  3.2253% (0.19   0.23   0.02) =   0.628%  kept
          HB3   LEU   63 - HD21  ASN   69  10.42 +/- 1.14   0.194% *  0.8062% (0.56   0.02   0.02) =   0.002%
          QD1   LEU  123 - HD21  ASN   69  10.88 +/- 3.04   0.226% *  0.2750% (0.19   0.02   0.02) =   0.001%
          QG1   VAL   18 - HD21  ASN   69  12.20 +/- 0.97   0.068% *  0.5538% (0.39   0.02   0.02) =   0.000%
          QG1   VAL  108 - HD21  ASN   69  20.14 +/- 1.48   0.004% *  0.5216% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.01 A, kept.
 
    Peak 934 (4.37, 7.68, 113.30 ppm):
    7 chemical-shift based assignments, quality = 0.377, support = 0.0199, residual support = 0.0199:
          HA    LYS+  99 - HD21  ASN   69   9.67 +/- 1.20  16.055% * 19.7883% (0.53   0.02   0.02) =  39.017%  kept
          HA    LEU  123 - HD21  ASN   69  11.72 +/- 4.55  17.389% * 14.3693% (0.39   0.02   0.02) =  30.687%  kept
          HA    LEU   40 - HD21  ASN   69   7.70 +/- 1.16  61.965% *  2.8311% (0.08   0.02   0.02) =  21.544%  kept
          HA    ASN   35 - HD21  ASN   69  12.98 +/- 1.27   3.265% * 17.4728% (0.47   0.02   0.02) =   7.006%  kept
          HA    PHE   59 - HD21  ASN   69  15.77 +/- 1.35   1.020% *  8.6000% (0.23   0.02   0.02) =   1.077%  kept
          HA    ILE   56 - HD21  ASN   69  20.58 +/- 1.53   0.210% * 16.7505% (0.45   0.02   0.02) =   0.433%
          HA    ASP- 113 - HD21  ASN   69  23.16 +/- 1.64   0.095% * 20.1881% (0.54   0.02   0.02) =   0.236%
    Distance limit 4.83 A violated in 19 structures by 2.20 A, eliminated.
    Peak unassigned.
 
    Peak 935 (3.33, 7.59, 115.08 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.27, residual support = 18.7:
          QB    PHE   55 - HN    ILE   56   2.82 +/- 0.39  94.780% * 97.6860% (0.97   4.27  18.72) =  99.976%  kept
          HB3   CYS   53 - HN    ILE   56   5.48 +/- 0.45   2.171% *  0.4572% (0.97   0.02   0.02) =   0.011%
          HB2   PHE   59 - HN    ILE   56   6.24 +/- 0.72   1.521% *  0.3620% (0.76   0.02  20.70) =   0.006%
          HD2   ARG+  54 - HN    ILE   56   6.85 +/- 0.59   0.828% *  0.4373% (0.92   0.02   0.02) =   0.004%
          HD3   PRO   93 - HN    ILE   56   7.74 +/- 3.10   0.635% *  0.4727% (1.00   0.02   0.02) =   0.003%
          HD3   PRO   93 - HZ2   TRP   87  15.84 +/- 2.37   0.046% *  0.0205% (0.04   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ILE   56  18.77 +/- 1.49   0.002% *  0.4695% (0.99   0.02   0.02) =   0.000%
          HB3   CYS   53 - HZ2   TRP   87  17.02 +/- 2.23   0.009% *  0.0198% (0.04   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HZ2   TRP   87  23.04 +/- 3.43   0.003% *  0.0190% (0.04   0.02   0.02) =   0.000%
          QB    PHE   55 - HZ2   TRP   87  19.39 +/- 1.94   0.002% *  0.0198% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   59 - HZ2   TRP   87  18.19 +/- 2.23   0.002% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HD3   PRO   68 - HZ2   TRP   87  22.04 +/- 1.90   0.001% *  0.0204% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 936 (1.89, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.867, support = 5.99, residual support = 123.4:
      O   HB    ILE   56 - HN    ILE   56   2.89 +/- 0.57  94.873% * 99.2786% (0.87  10.0   5.99 123.41) =  99.999%  kept
          HG2   ARG+  54 - HN    ILE   56   5.98 +/- 0.73   2.759% *  0.0200% (0.18   1.0   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    ILE   56   7.74 +/- 0.56   0.364% *  0.0916% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE   56  15.72 +/- 2.86   1.334% *  0.0226% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ILE   56  10.52 +/- 2.00   0.139% *  0.1083% (0.95   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ILE   56  12.91 +/- 1.45   0.032% *  0.0513% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HZ2   TRP   87  10.97 +/- 2.25   0.170% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE   56  17.08 +/- 2.39   0.010% *  0.0390% (0.34   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HZ2   TRP   87  10.99 +/- 2.85   0.081% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HZ2   TRP   87  15.28 +/- 2.83   0.039% *  0.0047% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE   56  20.18 +/- 2.38   0.002% *  0.0471% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ILE   56  22.61 +/- 1.20   0.001% *  0.1142% (1.00   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HZ2   TRP   87  11.55 +/- 0.56   0.041% *  0.0020% (0.02   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   87  12.48 +/- 4.45   0.087% *  0.0008% (0.01   1.0   0.02   3.17) =   0.000%
          HB    ILE  103 - HN    ILE   56  21.17 +/- 2.30   0.002% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE   56  20.35 +/- 2.05   0.002% *  0.0155% (0.14   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   87  14.27 +/- 2.01   0.020% *  0.0014% (0.01   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ILE   56  28.24 +/- 2.27   0.000% *  0.1105% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HZ2   TRP   87  14.05 +/- 0.70   0.014% *  0.0017% (0.01   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HZ2   TRP   87  18.69 +/- 2.37   0.004% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE   56  24.20 +/- 1.45   0.001% *  0.0318% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HZ2   TRP   87  19.53 +/- 2.74   0.002% *  0.0048% (0.04   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   87  16.22 +/- 3.13   0.010% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HZ2   TRP   87  21.29 +/- 3.30   0.011% *  0.0009% (0.01   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HZ2   TRP   87  23.15 +/- 1.92   0.001% *  0.0040% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ILE   56  33.39 +/- 3.34   0.000% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   87  22.81 +/- 2.52   0.001% *  0.0007% (0.01   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HZ2   TRP   87  29.63 +/- 5.12   0.001% *  0.0008% (0.01   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.11 A, kept.
 
    Peak 937 (1.71, 7.59, 115.08 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 5.17, residual support = 123.4:
          QG1   ILE   56 - HN    ILE   56   3.84 +/- 0.62  96.141% * 98.0274% (0.87   5.17 123.41) =  99.995%  kept
          HB3   MET   92 - HN    ILE   56   9.21 +/- 2.16   0.980% *  0.1958% (0.45   0.02   0.02) =   0.002%
          QD    LYS+ 106 - HN    ILE   56  14.25 +/- 2.17   0.339% *  0.3498% (0.80   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    ILE   56  11.58 +/- 2.53   0.379% *  0.1490% (0.34   0.02   2.11) =   0.001%
          QD    LYS+  99 - HN    ILE   56  21.03 +/- 2.96   0.059% *  0.3649% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   73 - HZ2   TRP   87   9.81 +/- 1.91   0.680% *  0.0115% (0.03   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HZ2   TRP   87  12.55 +/- 3.39   0.387% *  0.0152% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    ILE   56  22.48 +/- 2.58   0.015% *  0.3338% (0.76   0.02   0.02) =   0.000%
          HB    ILE   89 - HZ2   TRP   87   9.20 +/- 1.05   0.790% *  0.0065% (0.01   0.02  16.33) =   0.000%
          HB2   LEU   73 - HN    ILE   56  17.46 +/- 1.58   0.019% *  0.2650% (0.61   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    ILE   56  16.11 +/- 1.66   0.026% *  0.1490% (0.34   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ILE   56  18.16 +/- 1.29   0.014% *  0.0674% (0.15   0.02   0.02) =   0.000%
          QG1   ILE   56 - HZ2   TRP   87  15.66 +/- 2.26   0.042% *  0.0164% (0.04   0.02   0.02) =   0.000%
          HB3   MET   92 - HZ2   TRP   87  15.30 +/- 2.38   0.062% *  0.0085% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HZ2   TRP   87  16.14 +/- 3.12   0.035% *  0.0145% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  99 - HZ2   TRP   87  16.57 +/- 2.81   0.027% *  0.0158% (0.04   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HZ2   TRP   87  22.35 +/- 3.38   0.005% *  0.0065% (0.01   0.02   0.02) =   0.000%
          HB2   LEU  123 - HZ2   TRP   87  25.05 +/- 3.07   0.002% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.14 A, kept.
 
    Peak 938 (1.45, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.299, support = 0.613, residual support = 2.37:
          QB    ALA  110 - HN    ILE   56   6.52 +/- 3.84  61.733% * 19.2476% (0.20   0.73   3.37) =  68.840%  kept
          HG    LEU  115 - HN    ILE   56   7.98 +/- 1.36   9.084% * 22.2145% (0.38   0.44   0.02) =  11.691%  kept
          QB    ALA   61 - HN    ILE   56   8.13 +/- 0.86   8.318% * 22.4192% (0.38   0.45   0.43) =  10.803%  kept
          HB3   LEU  115 - HN    ILE   56   7.60 +/- 1.05   7.508% * 19.6135% (0.92   0.16   0.02) =   8.531%  kept
          HG    LEU   40 - HN    ILE   56  19.30 +/- 2.03   0.163% *  2.4748% (0.92   0.02   0.02) =   0.023%
          QG    LYS+  66 - HN    ILE   56  13.98 +/- 1.10   0.196% *  1.9467% (0.73   0.02   0.02) =   0.022%
          HG    LEU   73 - HZ2   TRP   87  10.19 +/- 1.98   3.071% *  0.1043% (0.04   0.02   0.02) =   0.019%
          QB    ALA  120 - HN    ILE   56  14.03 +/- 0.82   0.309% *  1.0062% (0.38   0.02   0.02) =   0.018%
          HG    LEU   80 - HZ2   TRP   87   8.90 +/- 1.30   7.454% *  0.0259% (0.01   0.02   0.02) =   0.011%
          HG    LEU   67 - HN    ILE   56  18.38 +/- 1.87   0.071% *  2.2393% (0.84   0.02   0.02) =   0.009%
          HG    LEU   73 - HN    ILE   56  17.90 +/- 1.31   0.065% *  2.4043% (0.90   0.02   0.02) =   0.009%
          HG2   LYS+ 102 - HZ2   TRP   87  16.18 +/- 4.87   0.809% *  0.1123% (0.04   0.02   0.02) =   0.005%
          HB3   LEU   67 - HN    ILE   56  18.30 +/- 1.68   0.063% *  1.4105% (0.53   0.02   0.02) =   0.005%
          HG2   LYS+ 102 - HN    ILE   56  25.85 +/- 2.81   0.023% *  2.5873% (0.97   0.02   0.02) =   0.003%
          HB3   LEU   40 - HN    ILE   56  20.85 +/- 2.04   0.087% *  0.5305% (0.20   0.02   0.02) =   0.003%
          HG    LEU   40 - HZ2   TRP   87  14.67 +/- 2.74   0.318% *  0.1074% (0.04   0.02   0.02) =   0.002%
          HG    LEU   80 - HN    ILE   56  19.81 +/- 2.08   0.037% *  0.5969% (0.22   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    ILE   56  20.13 +/- 1.59   0.031% *  0.4136% (0.15   0.02   0.02) =   0.001%
          HB3   LEU  115 - HZ2   TRP   87  18.74 +/- 2.53   0.096% *  0.1074% (0.04   0.02   0.02) =   0.001%
          QB    ALA   61 - HZ2   TRP   87  17.29 +/- 1.54   0.090% *  0.0437% (0.02   0.02   0.02) =   0.000%
          HG    LEU   67 - HZ2   TRP   87  19.91 +/- 2.23   0.032% *  0.0972% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   40 - HZ2   TRP   87  16.24 +/- 2.00   0.127% *  0.0230% (0.01   0.02   0.02) =   0.000%
          HB3   LEU   67 - HZ2   TRP   87  19.80 +/- 2.35   0.035% *  0.0612% (0.02   0.02   0.02) =   0.000%
          QG    LYS+  66 - HZ2   TRP   87  20.72 +/- 1.78   0.024% *  0.0845% (0.03   0.02   0.02) =   0.000%
          HG12  ILE   19 - HZ2   TRP   87  16.67 +/- 2.08   0.109% *  0.0180% (0.01   0.02   0.02) =   0.000%
          HG    LEU  115 - HZ2   TRP   87  20.01 +/- 2.65   0.043% *  0.0437% (0.02   0.02   0.02) =   0.000%
          QB    ALA  110 - HZ2   TRP   87  16.42 +/- 1.83   0.079% *  0.0230% (0.01   0.02   0.02) =   0.000%
          QB    ALA  120 - HZ2   TRP   87  20.59 +/- 2.25   0.024% *  0.0437% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 7 structures by 0.75 A, kept.
 
    Peak 939 (1.27, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.67, residual support = 123.4:
          QG2   ILE   56 - HN    ILE   56   2.49 +/- 0.54  95.100% * 98.4586% (1.00   6.67 123.41) = 100.000%  kept
          QG2   THR   23 - HZ2   TRP   87  10.09 +/- 2.62   4.723% *  0.0083% (0.03   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ILE   56  11.26 +/- 1.37   0.020% *  0.2144% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ILE   56  12.41 +/- 2.05   0.014% *  0.0584% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - HZ2   TRP   87  10.82 +/- 2.09   0.061% *  0.0121% (0.04   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ILE   56  19.92 +/- 1.39   0.001% *  0.2793% (0.95   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   56  19.58 +/- 1.58   0.001% *  0.2144% (0.73   0.02   0.02) =   0.000%
          QB    ALA   91 - HZ2   TRP   87  11.40 +/- 1.53   0.025% *  0.0093% (0.03   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ILE   56  19.11 +/- 1.81   0.001% *  0.1910% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   56  23.93 +/- 2.97   0.002% *  0.0657% (0.22   0.02   0.02) =   0.000%
          QG2   THR   39 - HZ2   TRP   87  14.48 +/- 1.79   0.007% *  0.0093% (0.03   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   56  20.08 +/- 1.63   0.001% *  0.1108% (0.38   0.02   0.02) =   0.000%
          QG2   ILE   56 - HZ2   TRP   87  14.64 +/- 2.38   0.004% *  0.0128% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   56  29.47 +/- 2.71   0.000% *  0.2793% (0.95   0.02   0.02) =   0.000%
          HG    LEU   71 - HZ2   TRP   87  14.64 +/- 2.60   0.017% *  0.0022% (0.01   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HZ2   TRP   87  12.67 +/- 1.38   0.015% *  0.0025% (0.01   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   56  21.46 +/- 1.36   0.000% *  0.0517% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HZ2   TRP   87  19.57 +/- 3.23   0.001% *  0.0121% (0.04   0.02   0.02) =   0.000%
          HG13  ILE   19 - HZ2   TRP   87  16.82 +/- 1.78   0.003% *  0.0048% (0.02   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HZ2   TRP   87  17.31 +/- 3.05   0.002% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.04 A, kept.
 
    Peak 941 (3.34, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.911, support = 5.52, residual support = 72.9:
          HB3   CYS   53 - HN    ARG+  54   3.93 +/- 0.32  42.898% * 35.6154% (0.94   5.36  31.51) =  50.737%  kept
          HD2   ARG+  54 - HN    ARG+  54   4.55 +/- 0.56  21.968% * 45.4512% (0.95   6.78 169.81) =  33.159%  kept
          QB    PHE   55 - HN    ARG+  54   4.23 +/- 0.12  26.194% * 18.4990% (0.76   3.45   3.49) =  16.092%  kept
          HD3   PRO   93 - HN    ARG+  54   7.47 +/- 2.87   2.130% *  0.1202% (0.85   0.02   0.02) =   0.009%
          HB2   PHE   59 - HN    ASP-  62   5.38 +/- 0.20   6.231% *  0.0132% (0.09   0.02   6.50) =   0.003%
          HB2   PHE   59 - HN    ARG+  54   9.91 +/- 0.70   0.168% *  0.0705% (0.50   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ASP-  62  10.01 +/- 1.10   0.191% *  0.0218% (0.15   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    ASP-  62  10.55 +/- 0.83   0.117% *  0.0201% (0.14   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    ASP-  62  12.68 +/- 1.07   0.040% *  0.0249% (0.18   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASP-  62  13.64 +/- 1.81   0.031% *  0.0251% (0.18   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASP-  62  14.74 +/- 1.79   0.031% *  0.0225% (0.16   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ARG+  54  21.91 +/- 1.68   0.001% *  0.1163% (0.82   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 944 (2.03, 7.87, 121.30 ppm):
    28 chemical-shift based assignments, quality = 0.263, support = 6.5, residual support = 169.8:
      O   HB2   ARG+  54 - HN    ARG+  54   3.19 +/- 0.44  98.981% * 96.9633% (0.26  10.0   6.50 169.81) =  99.999%  kept
          HB    ILE  119 - HN    ASP-  62   8.50 +/- 1.09   0.523% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ARG+  54  13.54 +/- 1.95   0.030% *  0.2793% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ASP-  62  10.80 +/- 1.93   0.106% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ARG+  54  13.20 +/- 1.69   0.043% *  0.0776% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ASP-  62  11.99 +/- 0.78   0.048% *  0.0647% (0.18   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ARG+  54  14.60 +/- 1.95   0.022% *  0.1190% (0.32   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ARG+  54  15.94 +/- 1.36   0.010% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP-  62  13.07 +/- 0.91   0.027% *  0.0474% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ARG+  54  18.30 +/- 2.21   0.005% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP-  62  11.76 +/- 1.66   0.078% *  0.0088% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASP-  62  12.83 +/- 1.35   0.038% *  0.0181% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASP-  62  14.83 +/- 1.39   0.013% *  0.0523% (0.14   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASP-  62  12.76 +/- 0.90   0.034% *  0.0145% (0.04   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ARG+  54  21.97 +/- 1.86   0.001% *  0.2532% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ARG+  54  23.55 +/- 2.03   0.001% *  0.3457% (0.94   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP-  62  13.68 +/- 1.25   0.021% *  0.0114% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ARG+  54  24.74 +/- 1.89   0.001% *  0.3025% (0.82   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ARG+  54  19.95 +/- 2.12   0.003% *  0.0611% (0.17   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ARG+  54  23.64 +/- 1.64   0.001% *  0.1974% (0.54   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASP-  62  16.30 +/- 0.86   0.007% *  0.0223% (0.06   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP-  62  19.85 +/- 1.51   0.002% *  0.0566% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP-  62  18.89 +/- 1.33   0.003% *  0.0369% (0.10   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ARG+  54  25.51 +/- 2.25   0.001% *  0.1835% (0.50   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ARG+  54  30.44 +/- 2.66   0.000% *  0.2256% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ARG+  54  23.49 +/- 2.20   0.001% *  0.0472% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP-  62  23.54 +/- 1.34   0.001% *  0.0422% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP-  62  25.12 +/- 1.41   0.001% *  0.0343% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.09 A, kept.
 
    Peak 945 (1.86, 7.87, 121.30 ppm):
    26 chemical-shift based assignments, quality = 0.93, support = 6.47, residual support = 167.9:
          HG2   ARG+  54 - HN    ARG+  54   3.29 +/- 0.26  90.653% * 84.1086% (0.94   6.51 169.81) =  98.847%  kept
          HB3   PRO   52 - HN    ARG+  54   5.16 +/- 0.25   6.645% * 13.3347% (0.29   3.31   1.74) =   1.149%  kept
          HB    ILE   56 - HN    ARG+  54   6.65 +/- 0.89   1.898% *  0.1269% (0.46   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HN    ARG+  54  18.97 +/- 3.12   0.063% *  0.2602% (0.94   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASP-  62   9.03 +/- 1.18   0.423% *  0.0238% (0.09   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ARG+  54  15.52 +/- 2.83   0.040% *  0.2517% (0.91   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ARG+  54  14.96 +/- 1.93   0.029% *  0.2339% (0.85   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ASP-  62  11.86 +/- 1.27   0.056% *  0.0471% (0.17   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP-  62  12.97 +/- 1.14   0.032% *  0.0484% (0.18   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ASP-  62  13.43 +/- 1.14   0.027% *  0.0487% (0.18   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ASP-  62  11.99 +/- 1.64   0.084% *  0.0151% (0.05   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ARG+  54  18.66 +/- 2.85   0.005% *  0.2407% (0.87   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASP-  62  13.63 +/- 0.78   0.020% *  0.0438% (0.16   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ARG+  54  23.43 +/- 2.82   0.002% *  0.2556% (0.93   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ARG+  54  23.47 +/- 2.05   0.001% *  0.2517% (0.91   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ASP-  62  14.88 +/- 0.76   0.013% *  0.0151% (0.05   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ARG+  54  21.52 +/- 2.28   0.002% *  0.0805% (0.29   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ARG+  54  25.50 +/- 1.54   0.001% *  0.2585% (0.94   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP-  62  19.77 +/- 1.42   0.002% *  0.0484% (0.18   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASP-  62  20.31 +/- 0.94   0.002% *  0.0478% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP-  62  23.26 +/- 1.94   0.001% *  0.0471% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ARG+  54  23.63 +/- 1.59   0.001% *  0.0516% (0.19   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP-  62  23.33 +/- 1.47   0.001% *  0.0450% (0.16   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP-  62  19.15 +/- 1.03   0.003% *  0.0097% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP-  62  22.55 +/- 1.01   0.001% *  0.0166% (0.06   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ARG+  54  30.82 +/- 2.29   0.000% *  0.0890% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.02 A, kept.
 
    Peak 946 (1.42, 7.87, 121.30 ppm):
    24 chemical-shift based assignments, quality = 0.163, support = 2.79, residual support = 8.33:
          QB    ALA   61 - HN    ASP-  62   2.79 +/- 0.16  97.507% * 72.1179% (0.16   2.79   8.34) =  99.948%  kept
          QB    ALA  110 - HN    ARG+  54   7.83 +/- 3.37   0.984% *  2.9948% (0.95   0.02   0.02) =   0.042%
          QG    LYS+  66 - HN    ASP-  62   6.18 +/- 1.06   1.318% *  0.3399% (0.11   0.02   0.02) =   0.006%
          QB    ALA   61 - HN    ARG+  54  10.03 +/- 1.03   0.057% *  2.7645% (0.87   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ASP-  62  10.16 +/- 0.80   0.052% *  0.4487% (0.14   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ARG+  54  14.73 +/- 2.55   0.010% *  1.4577% (0.46   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ARG+  54  20.79 +/- 2.99   0.008% *  1.5756% (0.50   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ASP-  62  12.41 +/- 2.13   0.019% *  0.5604% (0.18   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ARG+  54  19.00 +/- 2.17   0.002% *  2.9882% (0.94   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ARG+  54  18.13 +/- 2.41   0.002% *  2.0572% (0.65   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ARG+  54  17.03 +/- 1.18   0.002% *  1.8164% (0.57   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  13.09 +/- 1.40   0.013% *  0.2728% (0.09   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  14.60 +/- 1.52   0.006% *  0.5554% (0.18   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  14.47 +/- 1.45   0.007% *  0.2948% (0.09   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ARG+  54  21.26 +/- 2.14   0.001% *  2.9683% (0.94   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ARG+  54  21.10 +/- 2.01   0.001% *  2.3980% (0.76   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ARG+  54  19.25 +/- 1.59   0.001% *  1.2312% (0.39   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  14.50 +/- 0.75   0.006% *  0.2304% (0.07   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ARG+  54  20.53 +/- 1.98   0.001% *  0.7468% (0.24   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  16.28 +/- 0.85   0.003% *  0.1397% (0.04   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  21.11 +/- 1.67   0.001% *  0.5591% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  20.78 +/- 1.60   0.001% *  0.3849% (0.12   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ARG+  54  28.34 +/- 3.39   0.000% *  0.9243% (0.29   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  23.35 +/- 1.74   0.000% *  0.1730% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 947 (3.96, 9.57, 121.38 ppm):
    12 chemical-shift based assignments, quality = 0.441, support = 3.15, residual support = 11.4:
      O   HA2   GLY   51 - HN    GLY   51   2.75 +/- 0.16  28.427% * 83.6608% (0.49  10.0   2.21  10.01) =  68.592%  kept
          HD2   PRO   52 - HN    GLY   51   2.30 +/- 0.39  71.458% * 15.2394% (0.34   1.0   5.20  14.59) =  31.408%  kept
          QB    SER   48 - HN    GLY   51   7.50 +/- 1.08   0.111% *  0.1314% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLY   51  13.02 +/- 1.16   0.002% *  0.1112% (0.65   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    GLY   51  17.53 +/- 2.18   0.000% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    GLY   51  24.89 +/- 3.35   0.000% *  0.1659% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLY   51  16.88 +/- 2.75   0.001% *  0.0301% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    GLY   51  22.36 +/- 1.93   0.000% *  0.1587% (0.92   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLY   51  18.72 +/- 2.02   0.000% *  0.0429% (0.25   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    GLY   51  23.96 +/- 1.93   0.000% *  0.1626% (0.95   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLY   51  25.21 +/- 2.71   0.000% *  0.0973% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLY   51  30.81 +/- 1.98   0.000% *  0.0340% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 1.46, residual support = 7.09:
      O   QB    CYS   50 - HN    CYS   50   2.85 +/- 0.37  99.613% * 99.5970% (0.69  10.0   1.46   7.09) =  99.999%  kept
          HB3   ASP-  78 - HN    CYS   50  10.81 +/- 3.38   0.301% *  0.1663% (0.84   1.0   0.02   0.02) =   0.001%
          QE    LYS+  74 - HN    CYS   50  10.76 +/- 2.33   0.085% *  0.1445% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    CYS   50  22.92 +/- 1.73   0.001% *  0.0307% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   50  28.86 +/- 2.13   0.000% *  0.0614% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.04 A, kept.
 
    Peak 949 (0.39, 6.60, 121.96 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 1.94, residual support = 6.99:
          QB    ALA   47 - HN    CYS   50   3.29 +/- 1.11  99.901% * 97.6012% (0.57   1.94   6.99) =  99.999%  kept
          QB    ALA   64 - HN    CYS   50  15.33 +/- 1.31   0.027% *  1.2907% (0.73   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    CYS   50  14.65 +/- 1.35   0.042% *  0.7969% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    CYS   50  15.69 +/- 2.15   0.030% *  0.3113% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.10 A, kept.
 
    Peak 950 (3.96, 6.63, 116.57 ppm):
    12 chemical-shift based assignments, quality = 0.309, support = 3.52, residual support = 14.7:
      O   HA    SER   48 - HN    TRP   49   3.53 +/- 0.06  37.876% * 70.2959% (0.22  10.0   3.27  14.75) =  61.733%  kept
          QB    SER   48 - HN    TRP   49   3.26 +/- 0.36  59.300% * 27.8234% (0.45   1.0   3.93  14.75) =  38.255%  kept
          HD2   PRO   52 - HN    TRP   49   6.26 +/- 0.89   2.148% *  0.2043% (0.65   1.0   0.02   2.70) =   0.010%
          HA2   GLY   51 - HN    TRP   49   7.22 +/- 0.72   0.614% *  0.0703% (0.22   1.0   0.02   0.02) =   0.001%
          HB    THR   94 - HN    TRP   49  12.47 +/- 1.62   0.029% *  0.1077% (0.34   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    TRP   49  14.28 +/- 1.80   0.010% *  0.3047% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    TRP   49  14.02 +/- 2.48   0.020% *  0.1298% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    TRP   49  23.37 +/- 1.32   0.000% *  0.3130% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    TRP   49  25.20 +/- 2.71   0.000% *  0.3047% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    TRP   49  26.28 +/- 1.46   0.000% *  0.2169% (0.69   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    TRP   49  27.07 +/- 2.19   0.000% *  0.0878% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    TRP   49  28.49 +/- 1.78   0.000% *  0.1416% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 952 (3.15, 6.63, 116.57 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 3.99, residual support = 86.9:
      O   HB3   TRP   49 - HN    TRP   49   2.96 +/- 0.36  99.996% * 99.8958% (0.80  10.0   3.99  86.91) = 100.000%  kept
          HB3   PHE   59 - HN    TRP   49  16.67 +/- 0.99   0.004% *  0.1042% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 0.41, support = 2.51, residual support = 9.35:
      O   QB    SER   48 - HN    SER   48   2.35 +/- 0.18  70.899% * 66.2308% (0.45  10.0   2.49   9.35) =  83.132%  kept
      O   HA    SER   48 - HN    SER   48   2.75 +/- 0.05  28.968% * 32.8893% (0.22  10.0   2.61   9.35) =  16.867%  kept
          HD2   PRO   52 - HN    SER   48   8.06 +/- 1.15   0.089% *  0.0956% (0.65   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER   48   9.29 +/- 1.11   0.027% *  0.0329% (0.22   1.0   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER   48  13.02 +/- 1.83   0.004% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   48  11.88 +/- 1.70   0.007% *  0.0504% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER   48  13.05 +/- 2.33   0.005% *  0.0607% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   48  22.86 +/- 1.55   0.000% *  0.1464% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   48  24.38 +/- 2.36   0.000% *  0.1426% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   48  26.32 +/- 1.32   0.000% *  0.1015% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   48  26.64 +/- 1.44   0.000% *  0.0662% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    SER   48  26.92 +/- 1.87   0.000% *  0.0411% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (0.38, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.08, residual support = 6.15:
          QB    ALA   47 - HN    SER   48   2.81 +/- 0.26  99.985% * 99.1204% (0.90   4.08   6.15) = 100.000%  kept
          QG1   VAL   42 - HN    SER   48  14.25 +/- 0.79   0.007% *  0.4336% (0.80   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    SER   48  15.70 +/- 1.22   0.005% *  0.2032% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    SER   48  18.64 +/- 2.10   0.003% *  0.2428% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 957 (3.40, 7.01, 120.97 ppm):
    2 chemical-shift based assignments, quality = 0.817, support = 0.02, residual support = 0.02:
          HB2   PHE   60 - HN    ALA   47  10.49 +/- 1.52  72.919% * 52.2208% (0.84   0.02   0.02) =  74.638%  kept
          HB2   TRP   87 - HN    ALA   47  12.97 +/- 2.44  27.081% * 47.7792% (0.76   0.02   0.02) =  25.362%  kept
    Distance limit 4.19 A violated in 20 structures by 5.39 A, eliminated.
    Peak unassigned.
 
    Peak 958 (2.79, 7.01, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 1.47, residual support = 6.8:
          QB    CYS   50 - HN    ALA   47   3.49 +/- 0.94  92.775% * 70.4372% (0.97   1.50   6.99) =  97.176%  kept
          QE    LYS+  74 - HN    ALA   47   7.46 +/- 1.83   6.715% * 28.2429% (0.98   0.59   0.02) =   2.820%  kept
          HB3   ASP-  78 - HN    ALA   47   9.52 +/- 2.38   0.483% *  0.4737% (0.49   0.02   0.02) =   0.003%
          HB2   PHE   72 - HN    ALA   47  15.49 +/- 1.27   0.025% *  0.2167% (0.22   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ALA   47  25.63 +/- 1.17   0.001% *  0.6295% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.09 A, kept.
 
    Peak 959 (0.74, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.21, residual support = 12.7:
          QG2   THR   46 - HN    ALA   47   3.37 +/- 0.53  99.626% * 97.5704% (0.97   3.21  12.66) =  99.998%  kept
          QG2   VAL   18 - HN    ALA   47  10.74 +/- 1.55   0.147% *  0.5657% (0.90   0.02   0.02) =   0.001%
          QG1   VAL   43 - HN    ALA   47  11.39 +/- 1.37   0.192% *  0.4333% (0.69   0.02   0.02) =   0.001%
          QD1   ILE   19 - HN    ALA   47  15.66 +/- 1.65   0.013% *  0.5967% (0.95   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ALA   47  18.92 +/- 2.46   0.012% *  0.5269% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    ALA   47  17.12 +/- 1.21   0.010% *  0.3070% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 11.0:
      O   QB    ALA   47 - HN    ALA   47   2.46 +/- 0.12  99.981% * 99.7622% (0.57  10.0   2.36  11.03) = 100.000%  kept
          QG1   VAL   42 - HN    ALA   47  11.50 +/- 0.56   0.010% *  0.0790% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    ALA   47  12.98 +/- 1.17   0.006% *  0.1280% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    ALA   47  15.08 +/- 2.22   0.003% *  0.0309% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 961 (3.47, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.25, residual support = 34.5:
      O   HB    THR   46 - HN    THR   46   3.18 +/- 0.32  99.970% * 99.3656% (0.25  10.0   3.25  34.52) = 100.000%  kept
          HA    LYS+ 112 - HN    THR   46  15.80 +/- 1.33   0.011% *  0.3045% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    THR   46  14.49 +/- 1.72   0.016% *  0.1359% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    THR   46  18.95 +/- 1.31   0.003% *  0.1940% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 962 (1.32, 8.46, 117.19 ppm):
    9 chemical-shift based assignments, quality = 0.599, support = 3.56, residual support = 11.7:
          QG2   THR   77 - HN    THR   46   3.78 +/- 1.53  86.596% * 80.5862% (0.61   3.59  11.93) =  98.013%  kept
          HB3   ASP-  44 - HN    THR   46   5.92 +/- 0.66   8.796% * 15.9090% (0.22   1.93   0.02) =   1.965%  kept
          HB3   LEU   80 - HN    THR   46   8.88 +/- 2.59   4.167% *  0.3039% (0.41   0.02   0.02) =   0.018%
          QB    ALA   88 - HN    THR   46  10.83 +/- 1.39   0.340% *  0.6994% (0.95   0.02   0.02) =   0.003%
          HG2   LYS+ 111 - HN    THR   46  17.02 +/- 2.04   0.032% *  0.4783% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   46  13.43 +/- 1.79   0.055% *  0.2282% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   46  16.94 +/- 0.86   0.011% *  0.4186% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   46  21.84 +/- 1.12   0.002% *  0.6630% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   46  25.18 +/- 0.93   0.001% *  0.7135% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 2 structures by 0.13 A, kept.
 
    Peak 963 (1.03, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.947, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HN    THR   46  10.18 +/- 2.35  72.277% * 32.0586% (0.99   0.02   0.02) =  78.310%  kept
          QD1   ILE  119 - HN    THR   46  13.42 +/- 0.77  17.486% * 25.8997% (0.80   0.02   0.02) =  15.306%  kept
          HB2   LEU  104 - HN    THR   46  17.55 +/- 1.92   3.927% * 32.0586% (0.99   0.02   0.02) =   4.255%  kept
          HG3   LYS+ 112 - HN    THR   46  16.47 +/- 2.04   6.310% *  9.9831% (0.31   0.02   0.02) =   2.129%  kept
    Distance limit 4.63 A violated in 19 structures by 4.77 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   2.35 +/- 0.41  99.700% * 97.3999% (0.97   3.39  34.52) =  99.999%  kept
          QG1   VAL   43 - HN    THR   46   8.16 +/- 1.13   0.180% *  0.5640% (0.95   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    THR   46   9.20 +/- 1.36   0.055% *  0.5949% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    THR   46   9.92 +/- 1.17   0.049% *  0.0920% (0.15   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    THR   46  13.09 +/- 1.29   0.007% *  0.4095% (0.69   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    THR   46  14.00 +/- 0.83   0.004% *  0.4774% (0.80   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    THR   46  16.60 +/- 2.04   0.003% *  0.3137% (0.53   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    THR   46  14.79 +/- 0.83   0.003% *  0.1487% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 1.9:
          QG1   VAL   75 - HN    THR   46   3.91 +/- 1.20  99.284% * 99.0129% (0.92   1.66   1.90) =  99.993%  kept
          QD1   LEU  115 - HN    THR   46  11.46 +/- 0.89   0.716% *  0.9871% (0.76   0.02   0.02) =   0.007%
    Distance limit 4.47 A violated in 3 structures by 0.29 A, kept.
 
    Peak 966 (3.96, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 3.3, residual support = 27.1:
          HB    THR   94 - HN    PHE   45   4.35 +/- 0.68  98.320% * 94.1909% (0.65   3.30  27.12) =  99.991%  kept
          QB    SER   48 - HN    PHE   45  11.59 +/- 0.46   0.472% *  0.6747% (0.76   0.02   0.02) =   0.003%
          QB    SER   85 - HN    PHE   45  13.41 +/- 0.86   0.146% *  0.8520% (0.97   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    PHE   45  11.65 +/- 1.19   0.401% *  0.3012% (0.34   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    PHE   45  16.40 +/- 1.36   0.070% *  0.8150% (0.92   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    PHE   45  14.05 +/- 0.72   0.123% *  0.4297% (0.49   0.02   0.02) =   0.001%
          QB    SER  117 - HN    PHE   45  14.51 +/- 1.44   0.146% *  0.2201% (0.25   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    PHE   45  12.74 +/- 0.82   0.207% *  0.1546% (0.18   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    PHE   45  18.43 +/- 1.03   0.032% *  0.8520% (0.97   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    PHE   45  18.12 +/- 0.92   0.029% *  0.8352% (0.95   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   45  17.92 +/- 1.11   0.035% *  0.4998% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    PHE   45  19.28 +/- 0.74   0.019% *  0.1747% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 2 structures by 0.20 A, kept.
 
    Peak 967 (3.06, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.67, residual support = 80.2:
      O   HB2   PHE   45 - HN    PHE   45   2.94 +/- 0.59  99.901% * 99.8561% (0.99  10.0   3.67  80.15) = 100.000%  kept
          HB2   CYS   21 - HN    PHE   45  11.42 +/- 2.01   0.080% *  0.0452% (0.45   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    PHE   45  14.13 +/- 1.25   0.019% *  0.0988% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.06 A, kept.
 
    Peak 968 (2.43, 8.74, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 4.0, residual support = 80.2:
      O   HB3   PHE   45 - HN    PHE   45   3.12 +/- 0.49  99.489% * 99.6079% (0.87  10.0   4.00  80.15) = 100.000%  kept
          HB    VAL  107 - HN    PHE   45   8.51 +/- 0.76   0.406% *  0.0515% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    PHE   45  11.97 +/- 0.97   0.049% *  0.0919% (0.80   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    PHE   45  13.48 +/- 2.40   0.029% *  0.0996% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    PHE   45  13.63 +/- 0.96   0.023% *  0.0431% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   45  18.90 +/- 1.16   0.003% *  0.1060% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 969 (1.33, 8.74, 125.75 ppm):
    13 chemical-shift based assignments, quality = 0.476, support = 4.01, residual support = 19.1:
          HB3   ASP-  44 - HN    PHE   45   3.62 +/- 0.39  79.811% * 64.5687% (0.49   4.10  19.74) =  94.803%  kept
          QG2   THR   77 - HN    PHE   45   5.85 +/- 0.93   8.776% * 25.7887% (0.31   2.58   9.00) =   4.164%  kept
          HB3   PRO   93 - HN    PHE   45   5.71 +/- 1.04  10.310% *  5.4135% (0.15   1.08   0.02) =   1.027%  kept
          HB3   LEU   80 - HN    PHE   45  10.69 +/- 2.03   0.284% *  0.4697% (0.73   0.02   0.02) =   0.002%
          HB2   LEU   63 - HN    PHE   45  10.64 +/- 1.59   0.194% *  0.3923% (0.61   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    PHE   45  11.12 +/- 0.97   0.107% *  0.4443% (0.69   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    PHE   45   9.44 +/- 1.06   0.311% *  0.1133% (0.18   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    PHE   45  11.87 +/- 1.83   0.159% *  0.1613% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    PHE   45  14.93 +/- 1.26   0.020% *  0.5971% (0.92   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   45  15.37 +/- 0.74   0.015% *  0.5610% (0.87   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   45  18.32 +/- 1.25   0.006% *  0.6454% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   45  22.36 +/- 0.64   0.002% *  0.6242% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   45  19.64 +/- 1.42   0.003% *  0.2206% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 970 (0.08, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.88, support = 1.02, residual support = 7.66:
          QD1   ILE   89 - HN    PHE   45   6.55 +/- 1.71  53.656% * 49.9006% (0.80   1.12  12.18) =  55.741%  kept
          QG2   VAL   83 - HN    PHE   45   6.60 +/- 1.37  43.179% * 49.1668% (0.98   0.90   1.98) =  44.197%  kept
          QD2   LEU   31 - HN    PHE   45  10.34 +/- 0.65   3.164% *  0.9326% (0.84   0.02   0.02) =   0.061%
    Distance limit 4.33 A violated in 7 structures by 0.98 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   3.63 +/- 0.44  99.632% * 98.4423% (1.00   4.10  12.48) =  99.999%  kept
          HB    VAL  107 - HN    THR   46  12.05 +/- 1.38   0.144% *  0.3852% (0.80   0.02   0.02) =   0.001%
          QE    LYS+ 112 - HN    THR   46  14.89 +/- 2.13   0.075% *  0.4800% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    THR   46  12.09 +/- 0.97   0.117% *  0.2157% (0.45   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    THR   46  19.16 +/- 1.42   0.007% *  0.2918% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    THR   46  15.99 +/- 1.19   0.018% *  0.0651% (0.14   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    THR   46  19.93 +/- 1.31   0.006% *  0.1200% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 973 (6.59, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 0.75, residual support = 8.2:
          HN    CYS   50 - HN    CYS   53   5.02 +/- 0.24  99.940% * 77.1198% (0.87  1.00   0.75   8.20) =  99.982%  kept
        T HN    VAL   83 - HN    CYS   53  18.46 +/- 2.35   0.060% * 22.8802% (0.97 10.00   0.02   0.02) =   0.018%
    Distance limit 4.75 A violated in 0 structures by 0.29 A, kept.
 
    Peak 974 (4.53, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 7.18, residual support = 53.9:
      O   HA    PRO   52 - HN    CYS   53   3.47 +/- 0.02  99.745% * 99.8358% (0.61  10.0   7.18  53.89) = 100.000%  kept
          HA    LYS+ 111 - HN    CYS   53  11.16 +/- 2.33   0.255% *  0.1642% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 975 (4.16, 8.09, 110.83 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 4.77, residual support = 44.1:
      O   HA    CYS   53 - HN    CYS   53   2.74 +/- 0.04  99.993% * 99.7036% (0.90  10.0   4.77  44.07) = 100.000%  kept
          HA    GLU- 114 - HN    CYS   53  15.70 +/- 2.15   0.005% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    CYS   53  19.71 +/- 1.98   0.001% *  0.0719% (0.65   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    CYS   53  24.74 +/- 1.64   0.000% *  0.0850% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    CYS   53  24.74 +/- 1.62   0.000% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    CYS   53  26.79 +/- 2.66   0.000% *  0.0309% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    CYS   53  26.83 +/- 1.68   0.000% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 976 (3.96, 8.09, 110.83 ppm):
    12 chemical-shift based assignments, quality = 0.343, support = 8.15, residual support = 53.3:
          HD2   PRO   52 - HN    CYS   53   2.27 +/- 0.04  98.259% * 60.8477% (0.34   8.20  53.89) =  98.977%  kept
          HA2   GLY   51 - HN    CYS   53   4.50 +/- 0.27   1.699% * 36.3678% (0.49   3.43   0.02) =   1.023%  kept
          QB    SER   48 - HN    CYS   53   9.16 +/- 0.59   0.026% *  0.3326% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    CYS   53  10.83 +/- 1.56   0.012% *  0.2815% (0.65   0.02   0.02) =   0.000%
          QB    SER   85 - HN    CYS   53  17.86 +/- 2.05   0.001% *  0.4200% (0.97   0.02   0.02) =   0.000%
          QB    SER  117 - HN    CYS   53  15.80 +/- 1.98   0.002% *  0.1085% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    CYS   53  19.67 +/- 1.03   0.000% *  0.4017% (0.92   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    CYS   53  20.54 +/- 1.68   0.000% *  0.4116% (0.95   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    CYS   53  16.95 +/- 2.57   0.001% *  0.0762% (0.18   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    CYS   53  21.86 +/- 2.38   0.000% *  0.2464% (0.57   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    CYS   53  22.54 +/- 2.26   0.000% *  0.4200% (0.97   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    CYS   53  29.07 +/- 1.31   0.000% *  0.0861% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 977 (3.82, 8.09, 110.83 ppm):
    6 chemical-shift based assignments, quality = 0.971, support = 4.94, residual support = 44.3:
      O   HB2   CYS   53 - HN    CYS   53   2.54 +/- 0.32  88.462% * 84.8491% (0.98  10.0   4.92  44.07) =  97.768%  kept
          HD3   PRO   52 - HN    CYS   53   3.67 +/- 0.04  11.468% * 14.9444% (0.57   1.0   6.10  53.89) =   2.232%  kept
          HD2   PRO   58 - HN    CYS   53   8.73 +/- 1.11   0.069% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    CYS   53  18.36 +/- 1.99   0.001% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    CYS   53  25.60 +/- 1.43   0.000% *  0.0560% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    CYS   53  28.32 +/- 2.59   0.000% *  0.0455% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 978 (3.33, 8.09, 110.83 ppm):
    6 chemical-shift based assignments, quality = 0.962, support = 5.73, residual support = 43.9:
      O   HB3   CYS   53 - HN    CYS   53   2.59 +/- 0.42  89.567% * 95.5831% (0.97  10.0   5.75  44.07) =  99.639%  kept
          HD3   PRO   93 - HN    CYS   53   5.70 +/- 3.49   7.578% *  4.0560% (1.00   1.0   0.82   0.02) =   0.358%
          QB    PHE   55 - HN    CYS   53   4.99 +/- 0.25   2.367% *  0.0956% (0.97   1.0   0.02   0.02) =   0.003%
          HD2   ARG+  54 - HN    CYS   53   6.96 +/- 0.82   0.456% *  0.0914% (0.92   1.0   0.02  31.51) =   0.000%
          HB2   PHE   59 - HN    CYS   53  10.34 +/- 0.69   0.033% *  0.0757% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    CYS   53  22.48 +/- 1.57   0.000% *  0.0982% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 979 (2.79, 8.09, 110.83 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 2.96, residual support = 8.2:
          QB    CYS   50 - HN    CYS   53   3.36 +/- 0.97  99.200% * 98.0457% (0.69   2.96   8.20) =  99.994%  kept
          QE    LYS+  74 - HN    CYS   53  10.55 +/- 1.67   0.460% *  0.7010% (0.73   0.02   0.02) =   0.003%
          HB3   ASP-  78 - HN    CYS   53  14.13 +/- 2.92   0.329% *  0.8064% (0.84   0.02   0.02) =   0.003%
          HB3   HIS  122 - HN    CYS   53  19.47 +/- 1.88   0.010% *  0.1490% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   53  26.72 +/- 1.85   0.001% *  0.2980% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.02 A, kept.
 
    Peak 980 (2.30, 8.09, 110.83 ppm):
    11 chemical-shift based assignments, quality = 0.249, support = 7.2, residual support = 53.9:
          HG2   PRO   52 - HN    CYS   53   3.06 +/- 0.40  93.128% * 94.9832% (0.25   7.21  53.89) =  99.938%  kept
          HG2   MET   92 - HN    CYS   53   7.38 +/- 3.62   6.716% *  0.8078% (0.76   0.02   0.02) =   0.061%
          QG    GLU- 114 - HN    CYS   53  12.07 +/- 2.34   0.051% *  0.7261% (0.69   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    CYS   53  12.17 +/- 1.55   0.051% *  0.2636% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    CYS   53  16.46 +/- 2.37   0.011% *  0.6411% (0.61   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   53  12.56 +/- 2.18   0.036% *  0.1431% (0.14   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    CYS   53  16.65 +/- 1.61   0.006% *  0.1851% (0.18   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   53  22.51 +/- 1.54   0.001% *  0.3606% (0.34   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   53  22.90 +/- 2.71   0.001% *  0.2353% (0.22   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   53  31.22 +/- 3.74   0.000% *  0.8464% (0.80   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    CYS   53  33.24 +/- 1.72   0.000% *  0.8078% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (2.08, 8.09, 110.83 ppm):
    8 chemical-shift based assignments, quality = 0.969, support = 7.16, residual support = 53.6:
          HG3   PRO   52 - HN    CYS   53   4.02 +/- 0.37  71.411% * 90.6408% (0.98   7.21  53.89) =  98.611%  kept
          HB2   ARG+  54 - HN    CYS   53   5.77 +/- 0.48  10.646% *  8.3835% (0.18   3.73  31.51) =   1.360%  kept
          HB2   PRO   93 - HN    CYS   53   6.64 +/- 3.08  17.300% *  0.1055% (0.41   0.02   0.02) =   0.028%
          HG2   PRO   58 - HN    CYS   53  10.53 +/- 1.19   0.464% *  0.2515% (0.98   0.02   0.02) =   0.002%
          HB    VAL  108 - HN    CYS   53  13.10 +/- 2.66   0.175% *  0.0347% (0.14   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    CYS   53  25.95 +/- 3.14   0.001% *  0.2560% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    CYS   53  24.93 +/- 1.93   0.002% *  0.0713% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    CYS   53  34.91 +/- 4.61   0.000% *  0.2566% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 982 (1.85, 8.09, 110.83 ppm):
    13 chemical-shift based assignments, quality = 0.653, support = 7.35, residual support = 53.4:
      O   HB3   PRO   52 - HN    CYS   53   3.60 +/- 0.43  87.107% * 77.6890% (0.65  10.0   7.43  53.89) =  97.666%  kept
          HG2   ARG+  54 - HN    CYS   53   5.59 +/- 0.37   7.516% * 21.4908% (0.90   1.0   3.99  31.51) =   2.331%  kept
          HB    ILE   56 - HN    CYS   53   6.82 +/- 1.39   4.566% *  0.0238% (0.20   1.0   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    CYS   53  18.38 +/- 3.32   0.453% *  0.1042% (0.87   1.0   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    CYS   53  13.86 +/- 2.39   0.222% *  0.0680% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    CYS   53  13.54 +/- 3.03   0.100% *  0.0825% (0.69   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    CYS   53  22.18 +/- 3.11   0.009% *  0.1109% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    CYS   53  17.42 +/- 2.68   0.012% *  0.0728% (0.61   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    CYS   53  21.35 +/- 2.69   0.006% *  0.0451% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    CYS   53  24.03 +/- 2.17   0.001% *  0.1136% (0.95   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    CYS   53  22.03 +/- 2.12   0.002% *  0.0777% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    CYS   53  25.13 +/- 1.45   0.001% *  0.0918% (0.76   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    CYS   53  21.43 +/- 2.05   0.003% *  0.0299% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 983 (8.05, 7.85, 118.81 ppm):
    8 chemical-shift based assignments, quality = 0.777, support = 5.86, residual support = 45.5:
        T HN    GLN   32 - HN    LEU   31   2.74 +/- 0.10  95.963% * 99.2679% (0.78 10.00   5.86  45.48) =  99.999%  kept
          HN    ALA   34 - HN    LEU   31   4.69 +/- 0.15   4.002% *  0.0183% (0.14  1.00   0.02   5.14) =   0.001%
          HN    THR   94 - HN    PHE   55  10.95 +/- 1.38   0.030% *  0.0145% (0.11  1.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    LEU   31  17.18 +/- 1.76   0.002% *  0.1186% (0.93  1.00   0.02   0.02) =   0.000%
          HN    THR   94 - HN    LEU   31  17.32 +/- 0.97   0.002% *  0.0296% (0.23  1.00   0.02   0.02) =   0.000%
        T HN    GLN   32 - HN    PHE   55  28.42 +/- 1.40   0.000% *  0.4843% (0.38 10.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    PHE   55  21.53 +/- 2.05   0.001% *  0.0578% (0.45  1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    PHE   55  27.45 +/- 1.77   0.000% *  0.0089% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 984 (8.29, 7.85, 118.81 ppm):
    8 chemical-shift based assignments, quality = 0.53, support = 6.99, residual support = 50.4:
        T HN    GLN   30 - HN    LEU   31   2.52 +/- 0.09  96.685% * 81.5828% (0.53 10.00   7.03  50.79) =  99.261%  kept
          HN    GLU-  29 - HN    LEU   31   4.43 +/- 0.18   3.309% * 17.7520% (0.91  1.00   2.51   0.02) =   0.739%  kept
          HN    ASP-  86 - HN    LEU   31  15.73 +/- 1.95   0.002% *  0.0932% (0.60  1.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    LEU   31  15.96 +/- 0.70   0.002% *  0.0401% (0.26  1.00   0.02   0.02) =   0.000%
        T HN    GLN   30 - HN    PHE   55  26.12 +/- 1.42   0.000% *  0.3980% (0.26 10.00   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    PHE   55  16.85 +/- 1.89   0.001% *  0.0195% (0.13  1.00   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    PHE   55  21.93 +/- 1.63   0.000% *  0.0455% (0.29  1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    PHE   55  27.46 +/- 1.34   0.000% *  0.0689% (0.44  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 985 (4.47, 7.84, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.482, support = 3.21, residual support = 20.3:
      O   HA    PHE   55 - HN    PHE   55   2.84 +/- 0.05  88.304% * 99.0930% (0.48  10.0   3.21  20.31) =  99.996%  kept
          HA    TRP   27 - HN    LEU   31   4.21 +/- 0.50  11.162% *  0.0276% (0.13   1.0   0.02   9.63) =   0.004%
          HA    ALA  110 - HN    PHE   55   8.87 +/- 3.79   0.491% *  0.1465% (0.71   1.0   0.02   0.16) =   0.001%
          HA    VAL  107 - HN    PHE   55  13.17 +/- 1.69   0.018% *  0.0925% (0.45   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    PHE   55  13.44 +/- 2.41   0.017% *  0.0672% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    PHE   55  15.69 +/- 2.61   0.006% *  0.1308% (0.64   1.0   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LEU   31  21.27 +/- 1.23   0.001% *  0.0991% (0.48   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   31  21.01 +/- 0.66   0.001% *  0.0701% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   31  24.73 +/- 2.16   0.000% *  0.1110% (0.54   1.0   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   31  22.45 +/- 1.10   0.000% *  0.0509% (0.25   1.0   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    PHE   55  22.98 +/- 1.37   0.000% *  0.0364% (0.18   1.0   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LEU   31  26.95 +/- 1.58   0.000% *  0.0751% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 986 (3.33, 7.84, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.787, support = 2.89, residual support = 20.3:
      O   QB    PHE   55 - HN    PHE   55   2.01 +/- 0.08  99.292% * 99.1124% (0.79  10.0   2.89  20.31) =  99.999%  kept
          HD2   ARG+  54 - HN    PHE   55   5.30 +/- 0.53   0.369% *  0.0867% (0.69   1.0   0.02   3.49) =   0.000%
          HB3   CYS   53 - HN    PHE   55   5.48 +/- 0.25   0.258% *  0.0923% (0.73   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    PHE   55   8.13 +/- 3.17   0.061% *  0.0998% (0.79   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    PHE   55   8.52 +/- 0.76   0.019% *  0.0835% (0.66   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    LEU   31  18.77 +/- 0.88   0.000% *  0.0757% (0.60   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   55  20.88 +/- 1.85   0.000% *  0.1000% (0.79   1.0   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    LEU   31  21.07 +/- 1.50   0.000% *  0.0633% (0.50   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   31  22.39 +/- 1.29   0.000% *  0.0756% (0.60   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   31  22.44 +/- 1.30   0.000% *  0.0699% (0.56   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   31  23.82 +/- 1.37   0.000% *  0.0751% (0.60   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   31  27.48 +/- 2.97   0.000% *  0.0657% (0.52   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 987 (4.14, 7.84, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.332, support = 3.4, residual support = 8.11:
      O   HA    ARG+  54 - HN    PHE   55   3.53 +/- 0.04  41.621% * 71.0328% (0.25  10.0   3.25   3.49) =  66.101%  kept
          HA    ASN   28 - HN    LEU   31   3.36 +/- 0.18  56.477% * 26.8421% (0.50   1.0   3.69  17.10) =  33.893%  kept
          HA    THR   26 - HN    LEU   31   6.48 +/- 0.29   1.147% *  0.1128% (0.39   1.0   0.02   0.02) =   0.003%
          HA    ALA   34 - HN    LEU   31   7.16 +/- 0.19   0.606% *  0.1682% (0.58   1.0   0.02   5.14) =   0.002%
          HA1   GLY  101 - HN    LEU   31  11.35 +/- 2.26   0.086% *  0.1739% (0.60   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    PHE   55  11.41 +/- 1.06   0.049% *  0.1996% (0.69   1.0   0.02   4.72) =   0.000%
          HA    GLU- 114 - HN    PHE   55  14.38 +/- 1.31   0.011% *  0.2177% (0.75   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   31  22.60 +/- 0.82   0.001% *  0.1512% (0.52   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    PHE   55  27.60 +/- 2.57   0.000% *  0.2296% (0.79   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    PHE   55  27.29 +/- 1.99   0.000% *  0.2221% (0.77   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    PHE   55  26.08 +/- 1.20   0.000% *  0.1922% (0.66   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   31  25.98 +/- 1.21   0.000% *  0.1649% (0.57   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    PHE   55  26.49 +/- 1.64   0.000% *  0.1489% (0.51   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    PHE   55  24.46 +/- 2.41   0.001% *  0.0512% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   31  24.80 +/- 1.82   0.000% *  0.0538% (0.19   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   31  24.95 +/- 3.79   0.000% *  0.0388% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 988 (3.63, 7.85, 118.81 ppm):
    2 chemical-shift based assignments, quality = 0.602, support = 7.16, residual support = 231.8:
      O   HA    LEU   31 - HN    LEU   31   2.76 +/- 0.03 100.000% * 99.9512% (0.60  10.0   7.16 231.79) = 100.000%  kept
          HA    LEU   31 - HN    PHE   55  25.72 +/- 1.49   0.000% *  0.0488% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.485, support = 5.82, residual support = 43.1:
          HB2   GLN   30 - HN    LEU   31   3.21 +/- 0.24  57.518% * 34.1787% (0.48   6.12  50.79) =  67.740%  kept
          HB2   ARG+  54 - HN    PHE   55   3.53 +/- 0.22  32.268% * 14.6336% (0.39   3.27   3.49) =  16.271%  kept
          HG3   GLN   30 - HN    LEU   31   4.72 +/- 0.61   9.447% * 49.1170% (0.60   7.11  50.79) =  15.988%  kept
          HB2   PRO   93 - HN    PHE   55   8.17 +/- 3.01   0.616% *  0.0410% (0.18   0.02   0.02) =   0.001%
          HB2   LYS+ 111 - HN    PHE   55  11.94 +/- 2.47   0.036% *  0.1042% (0.45   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   31  10.03 +/- 0.44   0.064% *  0.0430% (0.19   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LEU   31  13.61 +/- 1.68   0.012% *  0.1209% (0.52   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    PHE   55  14.12 +/- 1.07   0.009% *  0.1474% (0.64   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   55  14.13 +/- 1.72   0.009% *  0.1042% (0.45   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU   31  14.89 +/- 1.63   0.008% *  0.0679% (0.29   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    PHE   55  18.54 +/- 1.94   0.002% *  0.0896% (0.39   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU   31  17.21 +/- 0.86   0.003% *  0.0679% (0.29   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LEU   31  19.13 +/- 1.31   0.001% *  0.1209% (0.52   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    PHE   55  22.58 +/- 2.23   0.001% *  0.1596% (0.69   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   55  21.81 +/- 1.83   0.001% *  0.0896% (0.39   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LEU   31  20.97 +/- 1.26   0.001% *  0.0789% (0.34   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    PHE   55  24.24 +/- 1.64   0.000% *  0.1474% (0.64   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    PHE   55  25.44 +/- 1.80   0.000% *  0.1824% (0.79   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LEU   31  19.73 +/- 1.66   0.001% *  0.0310% (0.13   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LEU   31  24.01 +/- 1.21   0.000% *  0.1116% (0.48   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    PHE   55  29.97 +/- 2.82   0.000% *  0.1596% (0.69   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LEU   31  26.97 +/- 2.51   0.000% *  0.0679% (0.29   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LEU   31  27.00 +/- 2.26   0.000% *  0.0789% (0.34   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   55  26.98 +/- 1.93   0.000% *  0.0568% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 990 (1.34, 7.85, 118.81 ppm):
    24 chemical-shift based assignments, quality = 0.777, support = 7.16, residual support = 231.8:
      O   HB2   LEU   31 - HN    LEU   31   2.50 +/- 0.14  99.667% * 98.5368% (0.78  10.0   7.16 231.79) = 100.000%  kept
          HB3   PRO   93 - HN    PHE   55   7.92 +/- 2.60   0.240% *  0.0418% (0.33   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   31  10.19 +/- 0.97   0.028% *  0.1023% (0.81   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   31  13.54 +/- 2.45   0.006% *  0.1116% (0.88   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    PHE   55  12.36 +/- 1.92   0.011% *  0.0574% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    PHE   55  12.66 +/- 2.63   0.013% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   31  14.18 +/- 1.08   0.004% *  0.1177% (0.93   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    PHE   55  13.21 +/- 1.18   0.007% *  0.0570% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   31  12.43 +/- 0.40   0.007% *  0.0443% (0.35   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   31  14.97 +/- 1.16   0.003% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   31  13.86 +/- 0.76   0.004% *  0.0574% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   31  17.92 +/- 1.10   0.001% *  0.1169% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    PHE   55  15.85 +/- 2.07   0.002% *  0.0440% (0.35   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   31  19.86 +/- 1.58   0.001% *  0.0857% (0.68   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    PHE   55  18.08 +/- 2.48   0.004% *  0.0114% (0.09   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   31  21.68 +/- 3.42   0.000% *  0.1116% (0.88   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    PHE   55  20.14 +/- 1.90   0.000% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   55  20.87 +/- 1.77   0.000% *  0.0544% (0.43   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   31  17.51 +/- 0.78   0.001% *  0.0233% (0.18   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   55  22.01 +/- 2.56   0.000% *  0.0499% (0.39   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   31  27.67 +/- 2.20   0.000% *  0.0902% (0.71   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   55  26.46 +/- 3.05   0.000% *  0.0280% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   55  26.74 +/- 1.28   0.000% *  0.0481% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   55  31.62 +/- 2.40   0.000% *  0.0216% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 991 (1.13, 7.85, 118.81 ppm):
    14 chemical-shift based assignments, quality = 0.834, support = 7.16, residual support = 231.8:
      O   HB3   LEU   31 - HN    LEU   31   3.53 +/- 0.01  97.367% * 99.4260% (0.83  10.0   7.16 231.79) =  99.999%  kept
          QG1   VAL   24 - HN    LEU   31   7.46 +/- 0.91   1.404% *  0.0247% (0.21   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    LEU   31  10.98 +/- 0.28   0.108% *  0.0994% (0.83   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    PHE   55   8.81 +/- 1.00   0.537% *  0.0167% (0.14   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    PHE   55   9.57 +/- 2.51   0.486% *  0.0167% (0.14   1.0   0.02   2.31) =   0.000%
          HG13  ILE  119 - HN    PHE   55  12.52 +/- 1.12   0.059% *  0.0499% (0.42   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    PHE   55  16.29 +/- 2.17   0.015% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    LEU   31  17.69 +/- 1.06   0.007% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    PHE   55  20.44 +/- 2.27   0.008% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    LEU   31  22.41 +/- 1.59   0.002% *  0.1023% (0.86   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    LEU   31  22.92 +/- 2.73   0.002% *  0.0583% (0.49   1.0   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    PHE   55  18.98 +/- 1.36   0.005% *  0.0120% (0.10   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    PHE   55  26.36 +/- 1.54   0.001% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LEU   31  28.23 +/- 2.63   0.000% *  0.0342% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 992 (0.79, 7.85, 118.81 ppm):
    10 chemical-shift based assignments, quality = 0.638, support = 7.42, residual support = 226.1:
          HG    LEU   31 - HN    LEU   31   2.73 +/- 0.55  90.453% * 62.4920% (0.64   7.54 231.79) =  97.390%  kept
          QD1   ILE   56 - HN    PHE   55   5.08 +/- 0.58   4.628% * 19.4430% (0.45   3.33  18.72) =   1.550%  kept
          QD2   LEU   73 - HN    LEU   31   5.78 +/- 0.88   3.543% * 17.3373% (0.78   1.72   3.33) =   1.058%  kept
          QG1   VAL   41 - HN    LEU   31   6.03 +/- 0.54   1.368% *  0.0422% (0.16   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LEU   31  19.09 +/- 1.58   0.002% *  0.2391% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    PHE   55  16.69 +/- 1.51   0.002% *  0.0983% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    PHE   55  19.80 +/- 2.62   0.002% *  0.0808% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   31  22.33 +/- 2.67   0.001% *  0.1657% (0.64   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    PHE   55  24.62 +/- 1.13   0.000% *  0.0808% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    PHE   55  20.02 +/- 1.92   0.001% *  0.0206% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.06 A, kept.
 
    Peak 993 (0.04, 7.85, 118.81 ppm):
    4 chemical-shift based assignments, quality = 0.184, support = 6.92, residual support = 231.8:
          QD2   LEU   31 - HN    LEU   31   2.20 +/- 0.30  99.917% * 97.7561% (0.18   6.92 231.79) =  99.999%  kept
          QG2   VAL   43 - HN    LEU   31   7.69 +/- 1.09   0.081% *  1.4155% (0.92   0.02   0.02) =   0.001%
          QG2   VAL   43 - HN    PHE   55  14.63 +/- 0.94   0.002% *  0.6905% (0.45   0.02   0.02) =   0.000%
          QD2   LEU   31 - HN    PHE   55  19.65 +/- 1.18   0.000% *  0.1379% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 994 (0.60, 7.85, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.601, support = 2.11, residual support = 3.32:
          QD1   LEU   73 - HN    LEU   31   4.18 +/- 0.78  93.531% * 91.2281% (0.60   2.11   3.33) =  99.938%  kept
          QD2   LEU   80 - HN    LEU   31   9.82 +/- 2.85   1.330% *  1.2908% (0.90   0.02   0.02) =   0.020%
          QG1   VAL   83 - HN    LEU   31   9.19 +/- 1.75   1.723% *  0.8652% (0.60   0.02   0.02) =   0.017%
          QD2   LEU  115 - HN    PHE   55   8.62 +/- 0.94   2.157% *  0.6172% (0.43   0.02   4.72) =   0.016%
          QD1   LEU   63 - HN    PHE   55  10.80 +/- 0.99   0.768% *  0.4221% (0.29   0.02   0.02) =   0.004%
          QD1   LEU  104 - HN    LEU   31  13.04 +/- 1.26   0.176% *  1.3257% (0.92   0.02   0.02) =   0.003%
          QD1   LEU   63 - HN    LEU   31  14.35 +/- 0.97   0.099% *  0.8652% (0.60   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    PHE   55  16.77 +/- 1.71   0.080% *  0.6297% (0.44   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    PHE   55  17.58 +/- 1.32   0.048% *  0.4221% (0.29   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    PHE   55  19.07 +/- 2.66   0.030% *  0.6467% (0.45   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    PHE   55  17.23 +/- 1.71   0.045% *  0.4221% (0.29   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   31  20.25 +/- 0.98   0.012% *  1.2652% (0.88   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 1 structures by 0.15 A, kept.
 
    Peak 995 (1.90, 7.85, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.67, support = 7.96, residual support = 50.4:
          HB3   GLN   30 - HN    LEU   31   3.00 +/- 0.42  90.963% * 87.8757% (0.68   8.00  50.79) =  98.883%  kept
          HB    ILE   56 - HN    PHE   55   5.10 +/- 0.81   8.726% * 10.3424% (0.17   3.74  18.72) =   1.116%  kept
          HB3   PRO   58 - HN    PHE   55   9.08 +/- 1.03   0.182% *  0.1446% (0.44   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    PHE   55  10.92 +/- 2.11   0.080% *  0.1280% (0.39   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   31  13.13 +/- 0.19   0.016% *  0.1591% (0.49   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    LEU   31  12.47 +/- 0.72   0.021% *  0.0467% (0.14   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   31  16.07 +/- 2.22   0.005% *  0.1135% (0.35   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   31  21.78 +/- 4.53   0.002% *  0.1712% (0.53   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   31  22.79 +/- 1.20   0.001% *  0.2623% (0.81   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   55  16.60 +/- 1.31   0.004% *  0.0228% (0.07   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   31  25.44 +/- 1.66   0.000% *  0.2964% (0.91   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   31  23.25 +/- 1.23   0.000% *  0.1135% (0.35   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   55  24.29 +/- 1.47   0.000% *  0.1071% (0.33   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   55  25.72 +/- 2.65   0.000% *  0.0554% (0.17   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   55  30.37 +/- 2.54   0.000% *  0.0776% (0.24   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   55  34.84 +/- 4.18   0.000% *  0.0835% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.02 A, kept.
 
    Peak 996 (2.72, 7.85, 118.81 ppm):
    6 chemical-shift based assignments, quality = 0.53, support = 6.2, residual support = 44.6:
          HG2   GLN   30 - HN    LEU   31   4.92 +/- 0.33  57.665% * 76.1453% (0.49   7.25  50.79) =  81.536%  kept
          HB3   ASN   28 - HN    LEU   31   5.21 +/- 0.29  42.271% * 23.5230% (0.71   1.54  17.10) =  18.464%  kept
          QE    LYS+ 121 - HN    PHE   55  18.08 +/- 2.00   0.045% *  0.0264% (0.06   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    LEU   31  21.16 +/- 2.66   0.013% *  0.0540% (0.13   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    PHE   55  24.25 +/- 1.77   0.005% *  0.1025% (0.24   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    PHE   55  28.13 +/- 1.21   0.002% *  0.1488% (0.35   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.15 A, kept.
 
    Peak 997 (3.85, 7.85, 118.81 ppm):
    18 chemical-shift based assignments, quality = 0.639, support = 6.48, residual support = 50.8:
      O   HA    GLN   30 - HN    LEU   31   3.60 +/- 0.03  85.748% * 98.9089% (0.64  10.0   6.48  50.79) =  99.995%  kept
          HB2   CYS   53 - HN    PHE   55   5.13 +/- 0.18  10.542% *  0.0195% (0.13   1.0   0.02   0.02) =   0.002%
          HD3   PRO   52 - HN    PHE   55   6.40 +/- 0.34   2.897% *  0.0537% (0.35   1.0   0.02   0.58) =   0.002%
          HB    THR   39 - HN    LEU   31   8.84 +/- 0.58   0.432% *  0.1046% (0.68   1.0   0.02   0.02) =   0.001%
          HB3   SER   37 - HN    LEU   31   9.60 +/- 0.48   0.249% *  0.0815% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LEU   31  13.87 +/- 2.40   0.038% *  0.1411% (0.91   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LEU   31  16.65 +/- 3.23   0.018% *  0.1100% (0.71   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    PHE   55  13.63 +/- 1.50   0.051% *  0.0156% (0.10   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    PHE   55  16.32 +/- 1.62   0.012% *  0.0398% (0.26   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   31  19.00 +/- 2.25   0.005% *  0.0815% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    PHE   55  23.99 +/- 2.37   0.001% *  0.0689% (0.44   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   31  21.64 +/- 1.35   0.002% *  0.0321% (0.21   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   31  26.89 +/- 1.59   0.001% *  0.1100% (0.71   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   31  22.84 +/- 1.19   0.001% *  0.0400% (0.26   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    PHE   55  25.74 +/- 2.39   0.001% *  0.0537% (0.35   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    PHE   55  25.94 +/- 2.24   0.001% *  0.0510% (0.33   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    PHE   55  26.72 +/- 1.69   0.001% *  0.0483% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    PHE   55  29.63 +/- 2.28   0.000% *  0.0398% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 998 (4.13, 7.87, 121.30 ppm):
    18 chemical-shift based assignments, quality = 0.612, support = 6.51, residual support = 169.8:
      O   HA    ARG+  54 - HN    ARG+  54   2.75 +/- 0.04  99.887% * 99.0002% (0.61  10.0   6.51 169.81) = 100.000%  kept
          HA    LEU  115 - HN    ARG+  54  12.97 +/- 1.40   0.014% *  0.1527% (0.94   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASP-  62   9.81 +/- 0.73   0.053% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASP-  62  11.01 +/- 1.05   0.029% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ARG+  54  16.07 +/- 1.65   0.004% *  0.0990% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASP-  62  14.04 +/- 0.71   0.006% *  0.0185% (0.11   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASP-  62  15.68 +/- 1.40   0.003% *  0.0151% (0.09   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ARG+  54  18.89 +/- 2.95   0.001% *  0.0268% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ARG+  54  25.25 +/- 1.33   0.000% *  0.1530% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ARG+  54  25.99 +/- 2.68   0.000% *  0.0805% (0.50   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ASP-  62  20.13 +/- 1.10   0.001% *  0.0271% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ARG+  54  27.28 +/- 1.84   0.000% *  0.1448% (0.89   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ARG+  54  27.81 +/- 2.48   0.000% *  0.1225% (0.76   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ASP-  62  22.65 +/- 1.10   0.000% *  0.0286% (0.18   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ARG+  54  25.37 +/- 1.87   0.000% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASP-  62  22.79 +/- 1.23   0.000% *  0.0229% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ASP-  62  22.72 +/- 1.42   0.000% *  0.0088% (0.05   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASP-  62  24.01 +/- 1.73   0.000% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1000 (3.68, 6.63, 116.57 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.99, residual support = 86.9:
      O   HB2   TRP   49 - HN    TRP   49   3.62 +/- 0.19  99.699% * 99.6106% (0.98  10.0   3.99  86.91) = 100.000%  kept
          HA    ALA   84 - HN    TRP   49  12.05 +/- 1.78   0.158% *  0.1007% (0.99   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    TRP   49  15.04 +/- 3.77   0.138% *  0.0911% (0.90   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    TRP   49  22.91 +/- 2.26   0.002% *  0.1014% (1.00   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    TRP   49  21.95 +/- 1.30   0.002% *  0.0961% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1001 (0.37, 11.10, 134.86 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 2.55, residual support = 14.7:
          QB    ALA   47 - HE1   TRP   49   3.39 +/- 1.14  95.786% * 98.5649% (1.00   2.55  14.66) =  99.967%  kept
          QG1   VAL   42 - HE1   TRP   49  15.30 +/- 2.89   4.105% *  0.7487% (0.97   0.02   0.02) =   0.033%
          QB    ALA   64 - HE1   TRP   49  17.29 +/- 2.46   0.099% *  0.1535% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HE1   TRP   49  18.10 +/- 3.58   0.010% *  0.5329% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 1 structures by 0.12 A, kept.
 
    Peak 1002 (0.37, 6.63, 116.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 3.74, residual support = 14.7:
          QB    ALA   47 - HN    TRP   49   2.59 +/- 0.21  99.993% * 99.0195% (1.00   3.74  14.66) = 100.000%  kept
          QG1   VAL   42 - HN    TRP   49  15.11 +/- 1.30   0.003% *  0.5115% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    TRP   49  17.76 +/- 1.88   0.002% *  0.3641% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    TRP   49  16.29 +/- 1.16   0.002% *  0.1049% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1003 (3.82, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.765, support = 0.0656, residual support = 0.0198:
          HB2   CYS   53 - HN    ALA   47   4.65 +/- 1.25  91.808% * 11.6519% (0.90   0.02   0.02) =  73.644%  kept
          HD3   PRO   52 - HN    ALA   47   7.89 +/- 1.17   6.959% * 53.2616% (0.41   0.20   0.02) =  25.517%  kept
          HD2   PRO   58 - HN    ALA   47  11.90 +/- 1.58   0.668% * 10.4035% (0.80   0.02   0.02) =   0.479%
          HA    VAL   83 - HN    ALA   47  13.56 +/- 1.66   0.523% *  9.4344% (0.73   0.02   0.02) =   0.340%
          HA    GLN   30 - HN    ALA   47  21.47 +/- 1.19   0.027% *  6.3241% (0.49   0.02   0.02) =   0.012%
          HA    GLU- 100 - HN    ALA   47  25.95 +/- 2.01   0.014% *  8.9245% (0.69   0.02   0.02) =   0.008%
    Distance limit 4.39 A violated in 4 structures by 0.56 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1004 (2.28, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 3.03, residual support = 38.5:
      O   HB2   ASP-  44 - HN    ASP-  44   2.81 +/- 0.38  99.347% * 99.4473% (0.87  10.0   3.03  38.53) =  99.999%  kept
          HB3   PHE   72 - HN    ASP-  44   6.83 +/- 0.71   0.603% *  0.0876% (0.76   1.0   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    ASP-  44  13.51 +/- 1.41   0.013% *  0.0788% (0.69   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP-  44  14.31 +/- 1.41   0.008% *  0.1085% (0.95   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  44  15.10 +/- 1.25   0.006% *  0.0958% (0.84   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  44  13.45 +/- 1.17   0.010% *  0.0391% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ASP-  44  13.85 +/- 0.76   0.011% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ASP-  44  22.57 +/- 2.87   0.001% *  0.1028% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP-  44  20.04 +/- 0.63   0.001% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1005 (1.70, 8.78, 123.55 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 2.72, residual support = 7.18:
          HB2   LEU   73 - HN    ASP-  44   5.01 +/- 0.94  91.790% * 95.6402% (0.87   2.72   7.18) =  99.959%  kept
          QG1   ILE   56 - HN    ASP-  44  10.11 +/- 1.58   3.286% *  0.4918% (0.61   0.02   0.02) =   0.018%
          QD    LYS+ 106 - HN    ASP-  44  11.66 +/- 0.94   0.981% *  0.7948% (0.98   0.02   0.02) =   0.009%
          HB3   MET   92 - HN    ASP-  44  12.36 +/- 0.63   0.600% *  0.5888% (0.73   0.02   0.02) =   0.004%
          HG3   PRO   93 - HN    ASP-  44  11.31 +/- 1.25   1.358% *  0.2503% (0.31   0.02   0.02) =   0.004%
          QD    LYS+  99 - HN    ASP-  44  14.56 +/- 0.81   0.243% *  0.8037% (0.99   0.02   0.02) =   0.002%
          HB    ILE   89 - HN    ASP-  44  11.27 +/- 1.71   1.145% *  0.1251% (0.15   0.02   0.02) =   0.002%
          HB3   LYS+  99 - HN    ASP-  44  14.53 +/- 0.61   0.233% *  0.3947% (0.49   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    ASP-  44  18.41 +/- 2.12   0.125% *  0.4918% (0.61   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HN    ASP-  44  16.07 +/- 1.74   0.187% *  0.1420% (0.18   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ASP-  44  19.30 +/- 2.08   0.052% *  0.2766% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 8 structures by 0.68 A, kept.
 
    Peak 1006 (1.51, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.557, support = 1.25, residual support = 6.1:
          HB2   LYS+  74 - HN    ASP-  44   6.16 +/- 0.54  55.322% * 62.3925% (0.65   1.22   6.11) =  75.865%  kept
          HD3   LYS+  74 - HN    ASP-  44   6.73 +/- 0.97  36.296% * 29.9477% (0.28   1.36   6.11) =  23.891%  kept
          QG2   THR   26 - HN    ASP-  44   9.27 +/- 0.66   6.498% *  1.4162% (0.90   0.02   0.02) =   0.202%
          HG2   LYS+  65 - HN    ASP-  44  14.37 +/- 1.69   0.445% *  1.4938% (0.95   0.02   0.02) =   0.015%
          HG    LEU  104 - HN    ASP-  44  13.56 +/- 1.31   0.563% *  0.6492% (0.41   0.02   0.02) =   0.008%
          QD    LYS+  66 - HN    ASP-  44  15.52 +/- 0.92   0.242% *  1.4162% (0.90   0.02   0.02) =   0.008%
          HD2   LYS+ 121 - HN    ASP-  44  16.60 +/- 1.51   0.170% *  1.5479% (0.98   0.02   0.02) =   0.006%
          HB3   LYS+ 121 - HN    ASP-  44  15.64 +/- 1.65   0.247% *  0.6492% (0.41   0.02   0.02) =   0.004%
          HB3   LYS+ 111 - HN    ASP-  44  16.62 +/- 1.78   0.218% *  0.4874% (0.31   0.02   0.02) =   0.002%
    Distance limit 4.66 A violated in 12 structures by 0.98 A, kept.
 
    Peak 1007 (1.35, 8.78, 123.55 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 3.81, residual support = 38.5:
      O   HB3   ASP-  44 - HN    ASP-  44   3.42 +/- 0.40  98.438% * 99.1884% (0.99  10.0   3.81  38.53) =  99.999%  kept
          HB3   PRO   93 - HN    ASP-  44   9.11 +/- 1.28   0.443% *  0.0836% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ASP-  44   9.94 +/- 1.71   0.280% *  0.0947% (0.95   1.0   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ASP-  44   9.89 +/- 1.35   0.273% *  0.0947% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ASP-  44  10.47 +/- 2.18   0.245% *  0.0868% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ASP-  44  10.83 +/- 0.57   0.121% *  0.0868% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ASP-  44  12.02 +/- 0.78   0.066% *  0.0727% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP-  44  11.88 +/- 1.06   0.090% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  44  18.70 +/- 2.27   0.006% *  0.0992% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  44  15.82 +/- 0.86   0.013% *  0.0376% (0.38   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ASP-  44  18.00 +/- 1.68   0.006% *  0.0647% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ASP-  44  18.36 +/- 1.83   0.007% *  0.0198% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP-  44  17.37 +/- 1.42   0.008% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  44  19.01 +/- 0.57   0.004% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1008 (0.75, 8.78, 123.55 ppm):
    7 chemical-shift based assignments, quality = 0.896, support = 4.29, residual support = 15.9:
          QG1   VAL   43 - HN    ASP-  44   3.92 +/- 0.66  84.212% * 97.8244% (0.90   4.30  15.89) =  99.909%  kept
          QG2   THR   46 - HN    ASP-  44   6.46 +/- 0.88   8.829% *  0.5034% (0.99   0.02   0.02) =   0.054%
          QG2   VAL   18 - HN    ASP-  44   7.02 +/- 1.01   4.701% *  0.5068% (1.00   0.02   0.02) =   0.029%
          QG1   VAL   41 - HN    ASP-  44   8.97 +/- 0.59   0.926% *  0.3688% (0.73   0.02   0.02) =   0.004%
          QD1   ILE   19 - HN    ASP-  44   9.45 +/- 0.78   0.653% *  0.3881% (0.76   0.02   0.02) =   0.003%
          QD2   LEU  104 - HN    ASP-  44  12.30 +/- 1.83   0.173% *  0.3080% (0.61   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    ASP-  44   9.88 +/- 0.77   0.506% *  0.1005% (0.20   0.02   0.02) =   0.001%
    Distance limit 4.24 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1009 (0.06, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.71, residual support = 15.9:
          QG2   VAL   43 - HN    ASP-  44   2.97 +/- 0.41  97.560% * 99.0028% (0.65   3.71  15.89) =  99.992%  kept
          QD2   LEU   31 - HN    ASP-  44   7.33 +/- 0.71   0.673% *  0.6307% (0.76   0.02   0.02) =   0.004%
          QG2   VAL   83 - HN    ASP-  44   6.90 +/- 0.88   1.195% *  0.2547% (0.31   0.02   0.02) =   0.003%
          QD1   ILE   89 - HN    ASP-  44   8.40 +/- 2.10   0.573% *  0.1117% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1010 (4.84, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.518, support = 0.02, residual support = 0.02:
          HA    PHE   45 - HN    VAL   43   8.11 +/- 0.36  91.888% * 36.5033% (0.53   0.02   0.02) =  94.560%  kept
          HA    THR   23 - HN    VAL   43  12.86 +/- 1.57   7.180% * 21.4145% (0.31   0.02   0.02) =   4.335%  kept
          HA    ASP-  78 - HN    VAL   43  17.67 +/- 0.96   0.932% * 42.0822% (0.61   0.02   0.02) =   1.105%  kept
    Distance limit 4.56 A violated in 20 structures by 3.43 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   4.66 +/- 0.30 100.000% *100.0000% (0.53   1.50  16.41) = 100.000%  kept
    Distance limit 4.56 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1012 (2.21, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 2.96, residual support = 16.4:
          HB2   MET   96 - HN    VAL   43   3.00 +/- 0.40  99.681% * 97.4132% (0.97   2.96  16.41) =  99.999%  kept
          HB    VAL   70 - HN    VAL   43   9.61 +/- 0.64   0.126% *  0.6123% (0.90   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    VAL   43   9.77 +/- 0.93   0.148% *  0.1898% (0.28   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    VAL   43  13.59 +/- 0.69   0.016% *  0.5702% (0.84   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    VAL   43  14.40 +/- 1.27   0.012% *  0.3865% (0.57   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    VAL   43  14.29 +/- 0.85   0.011% *  0.3323% (0.49   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   43  16.23 +/- 0.99   0.006% *  0.4957% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1013 (1.76, 9.16, 125.94 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.23, residual support = 61.3:
      O   HB    VAL   43 - HN    VAL   43   2.79 +/- 0.38  99.909% * 99.7821% (0.87  10.0   4.23  61.34) = 100.000%  kept
          HB2   LYS+  99 - HN    VAL   43  10.19 +/- 1.12   0.072% *  0.0879% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    VAL   43  13.31 +/- 1.61   0.012% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    VAL   43  18.39 +/- 1.14   0.002% *  0.0921% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   43  15.25 +/- 0.67   0.005% *  0.0177% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1014 (1.37, 9.16, 125.94 ppm):
    15 chemical-shift based assignments, quality = 0.825, support = 5.27, residual support = 36.8:
          HB    VAL   42 - HN    VAL   43   4.43 +/- 0.10  51.095% * 70.1207% (0.84   5.63  39.44) =  91.527%  kept
          HB3   LEU   73 - HN    VAL   43   5.99 +/- 1.12  13.615% * 16.5484% (0.90   1.24   8.20) =   5.756%  kept
          HB3   ASP-  44 - HN    VAL   43   6.34 +/- 0.55   7.233% *  8.5751% (0.25   2.31  15.89) =   1.584%  kept
          HG    LEU   98 - HN    VAL   43   6.12 +/- 1.46  15.971% *  2.7171% (0.49   0.37   0.02) =   1.109%  kept
          QB    LEU   98 - HN    VAL   43   6.15 +/- 0.75   9.859% *  0.0522% (0.18   0.02   0.02) =   0.013%
          HG3   LYS+ 106 - HN    VAL   43   8.73 +/- 0.61   0.913% *  0.2974% (1.00   0.02   0.02) =   0.007%
          HB3   PRO   93 - HN    VAL   43  10.88 +/- 1.07   0.277% *  0.1928% (0.65   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    VAL   43   9.36 +/- 1.11   0.742% *  0.0522% (0.18   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    VAL   43  13.52 +/- 1.21   0.069% *  0.2751% (0.92   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   43  13.07 +/- 0.77   0.080% *  0.1808% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    VAL   43  13.70 +/- 0.64   0.060% *  0.2278% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   43  15.63 +/- 0.90   0.029% *  0.2490% (0.84   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    VAL   43  16.45 +/- 2.42   0.030% *  0.1119% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   43  18.37 +/- 1.47   0.011% *  0.2876% (0.97   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   43  18.84 +/- 2.65   0.016% *  0.1119% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.56 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 = 5.3, residual support = 61.3:
          QG1   VAL   43 - HN    VAL   43   2.64 +/- 0.60  95.341% * 98.2288% (0.90   5.30  61.34) =  99.987%  kept
          QD2   LEU  104 - HN    VAL   43   8.86 +/- 1.69   3.411% *  0.2508% (0.61   0.02   0.02) =   0.009%
          QG1   VAL   41 - HN    VAL   43   6.44 +/- 0.49   0.847% *  0.3002% (0.73   0.02   1.82) =   0.003%
          QG2   VAL   18 - HN    VAL   43   8.86 +/- 0.87   0.187% *  0.4126% (1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    VAL   43   9.67 +/- 0.88   0.072% *  0.4098% (0.99   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    VAL   43  10.49 +/- 0.99   0.043% *  0.3160% (0.76   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   43   9.09 +/- 0.67   0.099% *  0.0818% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1016 (0.56, 9.16, 125.94 ppm):
    8 chemical-shift based assignments, quality = 0.71, support = 2.14, residual support = 2.09:
          QG2   VAL   41 - HN    VAL   43   4.98 +/- 0.60  32.371% * 88.8414% (0.73   2.25   1.82) =  94.546%  kept
          QD1   LEU   73 - HN    VAL   43   5.69 +/- 0.68  16.796% *  8.0966% (0.45   0.33   8.20) =   4.471%  kept
          QD2   LEU   98 - HN    VAL   43   5.08 +/- 1.37  39.379% *  0.5733% (0.53   0.02   0.02) =   0.742%  kept
          QD2   LEU   63 - HN    VAL   43   7.51 +/- 1.11   3.345% *  1.0680% (0.98   0.02   0.02) =   0.117%
          QD1   LEU   63 - HN    VAL   43   6.50 +/- 1.02   7.096% *  0.4885% (0.45   0.02   0.02) =   0.114%
          QD1   LEU   80 - HN    VAL   43  11.60 +/- 2.56   0.292% *  0.5733% (0.53   0.02   0.02) =   0.005%
          QD2   LEU   80 - HN    VAL   43  10.46 +/- 2.51   0.558% *  0.1681% (0.15   0.02   0.02) =   0.003%
          QD2   LEU  115 - HN    VAL   43  11.76 +/- 0.82   0.164% *  0.1908% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.32 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1017 (0.37, 9.16, 125.94 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.14, residual support = 39.4:
          QG1   VAL   42 - HN    VAL   43   2.78 +/- 0.20  99.847% * 99.2474% (0.97   5.14  39.44) = 100.000%  kept
          QB    ALA   64 - HN    VAL   43   8.78 +/- 0.90   0.130% *  0.0791% (0.20   0.02   0.02) =   0.000%
          QB    ALA   47 - HN    VAL   43  12.52 +/- 1.06   0.020% *  0.3989% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   43  17.36 +/- 2.33   0.004% *  0.2746% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1018 (0.08, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.805, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - HN    VAL   43   6.54 +/- 0.63  72.163% * 27.6841% (0.73   0.02   0.02) =  66.313%  kept
          QG2   VAL   83 - HN    VAL   43   8.82 +/- 1.27  16.031% * 38.1246% (1.00   0.02   0.02) =  20.287%  kept
          QD1   ILE   89 - HN    VAL   43   9.63 +/- 1.72  11.807% * 34.1913% (0.90   0.02   0.02) =  13.400%  kept
    Distance limit 4.04 A violated in 20 structures by 2.10 A, eliminated.
    Peak unassigned.
 
    Peak 1019 (1.83, 8.95, 126.35 ppm):
    13 chemical-shift based assignments, quality = 0.716, support = 5.03, residual support = 17.8:
          HB    VAL   41 - HN    VAL   42   4.10 +/- 0.38  22.332% * 85.7860% (0.97   5.73  24.01) =  66.489%  kept
          HB2   LEU   71 - HN    VAL   42   3.24 +/- 0.72  77.254% * 12.4976% (0.22   3.62   5.44) =  33.508%  kept
          HG12  ILE  103 - HN    VAL   42   9.75 +/- 1.05   0.138% *  0.3101% (1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    VAL   42  11.52 +/- 0.70   0.041% *  0.2590% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   42  11.54 +/- 0.82   0.045% *  0.1058% (0.34   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL   42  12.47 +/- 1.87   0.055% *  0.0690% (0.22   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    VAL   42  11.02 +/- 0.99   0.066% *  0.0478% (0.15   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    VAL   42  11.86 +/- 0.57   0.036% *  0.0614% (0.20   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   42  13.08 +/- 0.45   0.019% *  0.0773% (0.25   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   42  17.68 +/- 2.36   0.004% *  0.2781% (0.90   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   42  16.58 +/- 1.05   0.004% *  0.1755% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   42  20.53 +/- 1.81   0.002% *  0.2781% (0.90   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL   42  20.61 +/- 2.84   0.002% *  0.0543% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1020 (1.38, 8.95, 126.35 ppm):
    15 chemical-shift based assignments, quality = 0.98, support = 5.73, residual support = 88.1:
      O   HB    VAL   42 - HN    VAL   42   2.36 +/- 0.10  98.164% * 99.1706% (0.98  10.0   5.73  88.10) =  99.999%  kept
          HB3   LEU   73 - HN    VAL   42   5.71 +/- 0.77   0.710% *  0.0957% (0.95   1.0   0.02   1.68) =   0.001%
          QB    LEU   98 - HN    VAL   42   5.95 +/- 0.68   0.513% *  0.0573% (0.57   1.0   0.02   0.47) =   0.000%
          HG    LEU   98 - HN    VAL   42   6.53 +/- 1.16   0.557% *  0.0137% (0.14   1.0   0.02   0.47) =   0.000%
          HG3   LYS+  33 - HN    VAL   42  10.03 +/- 0.81   0.020% *  0.1009% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    VAL   42  11.82 +/- 0.52   0.007% *  0.0773% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    VAL   42  10.62 +/- 0.84   0.014% *  0.0312% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    VAL   42  13.63 +/- 0.97   0.003% *  0.0934% (0.92   1.0   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   42  16.03 +/- 2.80   0.003% *  0.0845% (0.84   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   42  14.98 +/- 0.91   0.002% *  0.0992% (0.98   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   42  15.60 +/- 2.90   0.003% *  0.0281% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    VAL   42  14.49 +/- 1.09   0.002% *  0.0225% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   42  15.00 +/- 2.17   0.002% *  0.0177% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   42  15.45 +/- 0.70   0.001% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   42  21.39 +/- 1.65   0.000% *  0.0878% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1021 (0.91, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.979, support = 0.926, residual support = 1.25:
          QD1   LEU   40 - HN    VAL   42   4.37 +/- 0.59  95.614% * 97.2443% (0.98   0.93   1.25) =  99.920%  kept
          QD2   LEU   67 - HN    VAL   42   8.67 +/- 1.14   4.294% *  1.7139% (0.80   0.02   0.02) =   0.079%
          QG1   VAL  108 - HN    VAL   42  14.61 +/- 0.95   0.092% *  1.0418% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.52 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1022 (0.75, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.817, support = 4.8, residual support = 32.2:
          QG1   VAL   43 - HN    VAL   42   4.45 +/- 0.94  49.231% * 50.0141% (0.90   4.37  39.44) =  53.378%  kept
          QG1   VAL   41 - HN    VAL   42   4.35 +/- 0.16  43.798% * 49.0784% (0.73   5.30  24.01) =  46.599%  kept
          QD1   ILE   19 - HN    VAL   42   8.06 +/- 1.35   1.992% *  0.1949% (0.76   0.02   0.02) =   0.008%
          QD2   LEU  104 - HN    VAL   42   8.88 +/- 1.35   2.272% *  0.1547% (0.61   0.02   0.02) =   0.008%
          QG2   VAL   18 - HN    VAL   42   8.63 +/- 0.78   0.825% *  0.2545% (1.00   0.02   0.02) =   0.005%
          HG    LEU   31 - HN    VAL   42   7.72 +/- 1.09   1.748% *  0.0505% (0.20   0.02   0.02) =   0.002%
          QG2   THR   46 - HN    VAL   42  11.77 +/- 1.00   0.133% *  0.2528% (0.99   0.02   0.02) =   0.001%
    Distance limit 4.08 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1023 (0.56, 8.95, 126.35 ppm):
    8 chemical-shift based assignments, quality = 0.724, support = 5.94, residual support = 23.8:
          QG2   VAL   41 - HN    VAL   42   3.07 +/- 0.30  81.620% * 94.0314% (0.73   5.98  24.01) =  99.211%  kept
          QD1   LEU   73 - HN    VAL   42   4.39 +/- 0.45  12.543% *  4.7516% (0.45   0.49   1.68) =   0.770%  kept
          QD2   LEU   98 - HN    VAL   42   5.39 +/- 0.99   4.470% *  0.2279% (0.53   0.02   0.47) =   0.013%
          QD2   LEU   63 - HN    VAL   42   7.89 +/- 1.56   0.751% *  0.4245% (0.98   0.02   0.02) =   0.004%
          QD1   LEU   63 - HN    VAL   42   7.71 +/- 1.09   0.530% *  0.1942% (0.45   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    VAL   42  12.69 +/- 2.50   0.024% *  0.2279% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   42  11.42 +/- 2.49   0.050% *  0.0668% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   42  13.78 +/- 1.06   0.012% *  0.0758% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1024 (0.36, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.41, residual support = 88.1:
          QG1   VAL   42 - HN    VAL   42   3.51 +/- 0.17  99.978% * 99.2548% (0.87   5.41  88.10) = 100.000%  kept
          QB    ALA   47 - HN    VAL   42  15.33 +/- 0.99   0.017% *  0.3232% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   42  20.27 +/- 2.43   0.004% *  0.4220% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1025 (0.15, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.599, support = 5.24, residual support = 86.8:
          QG2   VAL   42 - HN    VAL   42   3.18 +/- 0.29  79.412% * 94.0627% (0.61   5.30  88.10) =  98.484%  kept
          QG2   VAL   70 - HN    VAL   42   4.12 +/- 0.33  20.248% *  5.6751% (0.14   1.43   1.34) =   1.515%  kept
          QG2   VAL   75 - HN    VAL   42   8.37 +/- 1.14   0.340% *  0.2623% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1026 (1.82, 9.02, 128.16 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 4.51, residual support = 74.8:
      O   HB    VAL   41 - HN    VAL   41   2.87 +/- 0.32  95.462% * 99.3523% (0.90  10.0   4.51  74.76) =  99.997%  kept
          HB2   LEU   71 - HN    VAL   41   5.24 +/- 0.74   3.882% *  0.0672% (0.61   1.0   0.02   4.38) =   0.003%
          HG12  ILE  103 - HN    VAL   41   7.87 +/- 1.06   0.362% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   41   8.23 +/- 1.01   0.254% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    VAL   41  12.59 +/- 0.86   0.023% *  0.1098% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   41  15.22 +/- 0.53   0.006% *  0.0717% (0.65   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   41  17.53 +/- 2.74   0.003% *  0.0539% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   41  19.27 +/- 1.03   0.001% *  0.1048% (0.95   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   41  16.80 +/- 1.23   0.005% *  0.0171% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   41  23.08 +/- 2.60   0.001% *  0.0539% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1027 (1.43, 9.02, 128.16 ppm):
    13 chemical-shift based assignments, quality = 0.179, support = 3.75, residual support = 20.0:
          HG    LEU   40 - HN    VAL   41   3.32 +/- 0.82  96.143% * 64.9109% (0.18   3.78  20.18) =  99.064%  kept
          HG    LEU   73 - HN    VAL   41   7.87 +/- 1.28   2.777% * 20.6651% (0.61   0.35   0.02) =   0.911%  kept
          HB3   LEU   67 - HN    VAL   41  10.79 +/- 2.48   0.496% *  1.8562% (0.95   0.02   0.02) =   0.015%
          HG2   LYS+ 102 - HN    VAL   41   9.87 +/- 1.03   0.285% *  0.9551% (0.49   0.02   0.02) =   0.004%
          HG12  ILE   19 - HN    VAL   41  13.03 +/- 2.00   0.113% *  1.7598% (0.90   0.02   0.02) =   0.003%
          QG    LYS+  66 - HN    VAL   41  13.87 +/- 0.95   0.044% *  1.5712% (0.80   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    VAL   41  14.97 +/- 1.05   0.021% *  1.9579% (1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    VAL   41  14.72 +/- 3.15   0.057% *  0.6693% (0.34   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    VAL   41  17.86 +/- 3.13   0.010% *  1.8937% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    VAL   41  14.82 +/- 0.87   0.030% *  0.6056% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    VAL   41  18.41 +/- 1.07   0.006% *  1.8562% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   41  18.13 +/- 2.43   0.008% *  0.9551% (0.49   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    VAL   41  17.20 +/- 1.18   0.010% *  0.3437% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.20 A, kept.
 
    Peak 1028 (1.28, 9.02, 128.16 ppm):
    7 chemical-shift based assignments, quality = 0.86, support = 1.46, residual support = 8.71:
          QB    ALA   34 - HN    VAL   41   4.20 +/- 0.30  82.338% * 73.6600% (0.90   1.46   9.27) =  93.975%  kept
          QG2   THR   39 - HN    VAL   41   5.66 +/- 0.53  16.699% * 23.2489% (0.28   1.48   0.02) =   6.016%  kept
          HG3   LYS+  38 - HN    VAL   41   9.44 +/- 1.00   0.808% *  0.5926% (0.53   0.02   0.02) =   0.007%
          QG2   ILE   56 - HN    VAL   41  15.21 +/- 1.69   0.068% *  0.8180% (0.73   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    VAL   41  15.79 +/- 0.82   0.033% *  1.1165% (0.99   0.02   0.02) =   0.001%
          QG2   THR   77 - HN    VAL   41  15.78 +/- 1.27   0.035% *  0.2508% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    VAL   41  17.54 +/- 1.39   0.019% *  0.3132% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1029 (0.98, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 4.58, residual support = 20.2:
          QD2   LEU   40 - HN    VAL   41   2.61 +/- 0.64  98.534% * 97.7858% (0.92   4.58  20.18) =  99.995%  kept
          QD2   LEU   71 - HN    VAL   41   7.02 +/- 0.68   0.539% *  0.2990% (0.65   0.02   4.38) =   0.002%
          QG2   ILE  103 - HN    VAL   41   7.90 +/- 0.57   0.338% *  0.4581% (0.99   0.02   0.02) =   0.002%
          QD1   LEU   67 - HN    VAL   41   8.88 +/- 2.08   0.314% *  0.4373% (0.95   0.02   0.02) =   0.001%
          QD1   ILE  103 - HN    VAL   41   8.14 +/- 0.74   0.251% *  0.2432% (0.53   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    VAL   41  15.92 +/- 0.93   0.004% *  0.4612% (1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    VAL   41  13.66 +/- 1.61   0.010% *  0.1577% (0.34   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    VAL   41  13.66 +/- 0.96   0.009% *  0.1577% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1030 (0.76, 9.02, 128.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 74.8:
          QG1   VAL   41 - HN    VAL   41   2.03 +/- 0.25  99.201% * 98.2066% (1.00   4.54  74.76) =  99.998%  kept
          QG1   VAL   43 - HN    VAL   41   6.28 +/- 1.03   0.212% *  0.4097% (0.95   0.02   1.82) =   0.001%
          QD2   LEU  104 - HN    VAL   41   6.22 +/- 0.83   0.426% *  0.0857% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    VAL   41   7.11 +/- 0.74   0.113% *  0.1942% (0.45   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   41   8.51 +/- 0.83   0.032% *  0.2627% (0.61   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    VAL   41  10.75 +/- 1.57   0.010% *  0.1337% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    VAL   41  11.92 +/- 0.75   0.003% *  0.3310% (0.76   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   41  14.92 +/- 0.97   0.001% *  0.2802% (0.65   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    VAL   41  15.25 +/- 1.12   0.001% *  0.0964% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1031 (0.56, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.704, support = 4.06, residual support = 69.6:
          QG2   VAL   41 - HN    VAL   41   3.70 +/- 0.15  65.267% * 79.0021% (0.73   4.37  74.76) =  89.062%  kept
          QD2   LEU   98 - HN    VAL   41   4.27 +/- 0.64  32.213% * 19.6381% (0.53   1.50  28.00) =  10.927%  kept
          QD1   LEU   73 - HN    VAL   41   6.92 +/- 0.74   1.713% *  0.2231% (0.45   0.02   0.02) =   0.007%
          QD2   LEU   63 - HN    VAL   41   9.12 +/- 1.49   0.442% *  0.4878% (0.98   0.02   0.02) =   0.004%
          QD1   LEU   63 - HN    VAL   41   9.40 +/- 0.84   0.299% *  0.2231% (0.45   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    VAL   41  15.38 +/- 2.66   0.019% *  0.2618% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   41  14.10 +/- 2.74   0.031% *  0.0768% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   41  15.13 +/- 0.99   0.016% *  0.0872% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1032 (0.21, 9.02, 128.16 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 2.7, residual support = 2.7:
          QG2   VAL   70 - HN    VAL   41   4.66 +/- 0.35  98.744% * 98.4392% (0.18   2.70   2.70) =  99.980%  kept
          QG2   THR  118 - HN    VAL   41  10.37 +/- 1.39   1.256% *  1.5608% (0.38   0.02   0.02) =   0.020%
    Distance limit 4.86 A violated in 0 structures by 0.04 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1033 (4.04, 8.88, 128.13 ppm):
    4 chemical-shift based assignments, quality = 0.326, support = 1.58, residual support = 33.0:
          HA    VAL   70 - HN    LEU   40   3.55 +/- 0.83  94.907% * 38.9063% (0.28   1.64  35.66) =  92.592%  kept
          HB2   SER   37 - HN    LEU   40   6.47 +/- 0.15   5.009% * 58.9510% (0.92   0.75   0.02) =   7.405%  kept
          HA1   GLY   16 - HN    LEU   40  12.69 +/- 1.88   0.077% *  1.6692% (0.98   0.02   0.02) =   0.003%
          HA    GLN  116 - HN    LEU   40  19.25 +/- 1.54   0.006% *  0.4735% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1034 (3.84, 8.88, 128.13 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 3.92, residual support = 23.7:
          HB    THR   39 - HN    LEU   40   3.74 +/- 0.26  97.514% * 94.9731% (0.41   3.92  23.67) =  99.990%  kept
          HB3   SER   37 - HN    LEU   40   7.05 +/- 0.32   2.296% *  0.3280% (0.28   0.02   0.02) =   0.008%
          HA    GLN   30 - HN    LEU   40  11.22 +/- 0.53   0.144% *  1.1160% (0.95   0.02   0.02) =   0.002%
          QB    SER   13 - HN    LEU   40  15.15 +/- 2.62   0.039% *  0.5289% (0.45   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LEU   40  22.99 +/- 1.87   0.002% *  0.9016% (0.76   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   40  23.46 +/- 1.70   0.002% *  0.6679% (0.57   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   40  27.64 +/- 2.63   0.001% *  1.1564% (0.98   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   40  23.44 +/- 2.24   0.002% *  0.3280% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1035 (2.99, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.559, support = 0.724, residual support = 11.3:
          QE    LYS+  99 - HN    LEU   40   4.16 +/- 0.57  95.275% * 52.2883% (0.57   0.72  11.63) =  97.078%  kept
          QE    LYS+  38 - HN    LEU   40   8.69 +/- 1.24   3.709% * 39.8712% (0.31   1.00   0.02) =   2.882%  kept
          HB2   PHE   97 - HN    LEU   40  10.11 +/- 1.06   0.641% *  2.4882% (0.97   0.02   0.86) =   0.031%
          HB3   TRP   27 - HN    LEU   40  13.88 +/- 1.05   0.099% *  2.5272% (0.98   0.02   0.02) =   0.005%
          QE    LYS+ 106 - HN    LEU   40  14.96 +/- 1.13   0.060% *  1.4597% (0.57   0.02   0.02) =   0.002%
          QE    LYS+ 102 - HN    LEU   40  13.04 +/- 1.06   0.163% *  0.3978% (0.15   0.02   0.02) =   0.001%
          HB3   PHE   60 - HN    LEU   40  15.76 +/- 1.93   0.053% *  0.9676% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.75 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1036 (1.93, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.71, residual support = 104.7:
      O   HB2   LEU   40 - HN    LEU   40   2.44 +/- 0.28  99.989% * 99.7221% (0.97  10.0   4.71 104.69) = 100.000%  kept
          HB3   MET   96 - HN    LEU   40  13.17 +/- 0.77   0.005% *  0.0954% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   40  15.07 +/- 2.15   0.002% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU   40  14.41 +/- 1.35   0.003% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   40  21.67 +/- 3.47   0.000% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   40  26.14 +/- 2.58   0.000% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1037 (1.46, 8.88, 128.13 ppm):
    10 chemical-shift based assignments, quality = 0.613, support = 4.91, residual support = 104.7:
      O   HB3   LEU   40 - HN    LEU   40   2.50 +/- 0.27  95.137% * 68.9665% (0.61  10.0   4.89 104.69) =  97.979%  kept
          HG    LEU   40 - HN    LEU   40   4.36 +/- 0.23   4.443% * 30.4627% (0.92   1.0   5.80 104.69) =   2.021%  kept
          HG    LEU   67 - HN    LEU   40   8.92 +/- 1.59   0.108% *  0.1115% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   40   8.68 +/- 2.22   0.254% *  0.0175% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   40   9.79 +/- 1.03   0.036% *  0.0510% (0.45   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   40  12.52 +/- 1.31   0.009% *  0.0644% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   40  15.03 +/- 2.23   0.003% *  0.0950% (0.84   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   40  12.58 +/- 0.97   0.008% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   40  19.07 +/- 1.59   0.001% *  0.1050% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   40  18.98 +/- 1.51   0.001% *  0.0950% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1038 (1.28, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.306, support = 3.58, residual support = 22.6:
          QG2   THR   39 - HN    LEU   40   2.62 +/- 0.34  96.758% * 39.1727% (0.28   3.67  23.67) =  95.486%  kept
          QB    ALA   34 - HN    LEU   40   4.85 +/- 0.35   3.050% * 58.7213% (0.90   1.71   0.02) =   4.512%  kept
          HG3   LYS+  38 - HN    LEU   40   8.01 +/- 0.78   0.186% *  0.4038% (0.53   0.02   0.02) =   0.002%
          QG2   ILE   56 - HN    LEU   40  16.85 +/- 1.93   0.003% *  0.5573% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    LEU   40  17.54 +/- 0.63   0.001% *  0.7607% (0.99   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LEU   40  18.47 +/- 0.98   0.001% *  0.1709% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   40  20.64 +/- 1.29   0.001% *  0.2134% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1039 (0.85, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.873, support = 1.28, residual support = 26.8:
          QG1   VAL   70 - HN    LEU   40   4.27 +/- 1.36  59.135% * 64.1714% (0.84   1.50  35.66) =  74.011%  kept
          QD1   LEU   71 - HN    LEU   40   5.11 +/- 1.49  40.520% * 32.8796% (0.98   0.65   1.77) =  25.984%  kept
          HB3   LEU  104 - HN    LEU   40  10.57 +/- 1.17   0.137% *  0.9456% (0.92   0.02   0.02) =   0.003%
          QD1   LEU  123 - HN    LEU   40  12.81 +/- 2.67   0.056% *  1.0041% (0.98   0.02   0.02) =   0.001%
          QG1   VAL   18 - HN    LEU   40  11.79 +/- 1.17   0.072% *  0.7438% (0.73   0.02   0.02) =   0.001%
          HB3   LEU   63 - HN    LEU   40  11.35 +/- 1.29   0.079% *  0.2554% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 0.564, support = 4.7, residual support = 96.1:
          QD2   LEU   40 - HN    LEU   40   4.06 +/- 0.25  79.638% * 66.2387% (0.53   5.02 104.69) =  91.614%  kept
          QD2   LEU   71 - HN    LEU   40   5.55 +/- 0.77  15.096% * 31.8835% (0.98   1.30   1.77) =   8.359%  kept
          QD1   LEU   67 - HN    LEU   40   7.84 +/- 1.79   4.808% *  0.2842% (0.57   0.02   0.02) =   0.024%
          QG2   ILE  103 - HN    LEU   40  11.11 +/- 0.70   0.213% *  0.3448% (0.69   0.02   0.02) =   0.001%
          QD1   ILE  103 - HN    LEU   40  11.74 +/- 0.83   0.156% *  0.4633% (0.92   0.02   0.02) =   0.001%
          QG2   ILE  119 - HN    LEU   40  13.68 +/- 1.90   0.076% *  0.3836% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    LEU   40  17.44 +/- 1.00   0.013% *  0.4019% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1041 (0.20, 8.88, 128.13 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.13, residual support = 35.7:
          QG2   VAL   70 - HN    LEU   40   3.74 +/- 0.60 100.000% *100.0000% (0.57   6.13  35.66) = 100.000%  kept
    Distance limit 4.42 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1042 (4.11, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.229, support = 1.92, residual support = 8.98:
          HA    ALA   34 - HN    THR   39   2.47 +/- 0.27  99.640% * 22.8032% (0.22   1.92   9.08) =  98.876%  kept
          HA    GLU-  36 - HN    THR   39   6.51 +/- 0.08   0.351% * 73.4927% (0.80   1.72   0.02) =   1.124%  kept
          HA    ASN   28 - HN    THR   39  12.54 +/- 0.24   0.007% *  0.4000% (0.38   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    THR   39  18.67 +/- 4.88   0.001% *  1.0287% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    THR   39  26.11 +/- 1.36   0.000% *  0.9559% (0.90   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    THR   39  27.48 +/- 2.04   0.000% *  0.9559% (0.90   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    THR   39  22.38 +/- 1.09   0.000% *  0.3636% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1043 (4.42, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.858, support = 2.91, residual support = 6.01:
          HA    SER   37 - HN    THR   39   4.32 +/- 0.08  81.463% * 53.5383% (0.90   2.84   2.76) =  84.476%  kept
          HA    LEU   40 - HN    THR   39   5.56 +/- 0.06  18.006% * 44.5072% (0.65   3.28  23.67) =  15.522%  kept
          HA    GLU-  15 - HN    THR   39  13.55 +/- 1.96   0.142% *  0.3507% (0.84   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    THR   39  11.01 +/- 0.20   0.301% *  0.1432% (0.34   0.02   0.02) =   0.001%
          HA    SER   13 - HN    THR   39  16.36 +/- 3.17   0.056% *  0.3507% (0.84   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    THR   39  16.90 +/- 1.17   0.025% *  0.3765% (0.90   0.02   0.02) =   0.000%
          HA    THR   46 - HN    THR   39  23.22 +/- 0.64   0.003% *  0.3972% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    THR   39  23.45 +/- 1.70   0.004% *  0.3362% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1044 (3.84, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.406, support = 3.74, residual support = 36.7:
      O   HB    THR   39 - HN    THR   39   2.73 +/- 0.25  63.404% * 92.2346% (0.41  10.0   3.81  38.15) =  95.883%  kept
          HB3   SER   37 - HN    THR   39   3.08 +/- 0.33  36.541% *  6.8718% (0.28   1.0   2.20   2.76) =   4.117%  kept
          HA    GLN   30 - HN    THR   39   9.10 +/- 0.44   0.050% *  0.2122% (0.95   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    THR   39  15.16 +/- 3.31   0.005% *  0.1006% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    THR   39  22.70 +/- 2.15   0.000% *  0.1715% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    THR   39  26.55 +/- 1.65   0.000% *  0.1270% (0.57   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    THR   39  30.75 +/- 2.64   0.000% *  0.2199% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    THR   39  25.16 +/- 2.28   0.000% *  0.0624% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1045 (1.27, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.734, support = 3.3, residual support = 24.7:
          QG2   THR   39 - HN    THR   39   3.40 +/- 0.35  51.921% * 21.0626% (0.49   3.76  38.15) =  46.520%  kept
          QB    ALA   34 - HN    THR   39   3.52 +/- 0.16  43.322% * 22.9789% (1.00   2.00   9.08) =  42.348%  kept
          HG3   LYS+  38 - HN    THR   39   5.30 +/- 0.44   4.725% * 55.3885% (0.76   6.29  27.94) =  11.132%  kept
          HG13  ILE   19 - HN    THR   39  12.66 +/- 1.60   0.026% *  0.0456% (0.20   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    THR   39  17.13 +/- 0.61   0.003% *  0.1998% (0.87   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    THR   39  19.93 +/- 1.85   0.002% *  0.2126% (0.92   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    THR   39  22.56 +/- 1.22   0.001% *  0.1121% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1046 (3.79, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 6.64, residual support = 219.2:
      O   HA    LYS+  38 - HN    LYS+  38   2.21 +/- 0.00  99.560% * 99.7734% (0.80  10.0   6.64 219.19) = 100.000%  kept
          HA    GLU- 100 - HN    LYS+  38   6.10 +/- 1.33   0.440% *  0.0705% (0.57   1.0   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LYS+  38  17.16 +/- 0.49   0.000% *  0.0346% (0.28   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    LYS+  38  21.81 +/- 2.06   0.000% *  0.0656% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    LYS+  38  28.06 +/- 1.97   0.000% *  0.0559% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (2.18, 7.88, 117.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 219.2:
      O   HB2   LYS+  38 - HN    LYS+  38   3.24 +/- 0.15  99.917% * 99.7624% (1.00  10.0   5.63 219.19) = 100.000%  kept
          HB3   GLU-  29 - HN    LYS+  38  12.91 +/- 0.53   0.027% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  38  14.91 +/- 0.72   0.011% *  0.0724% (0.73   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    LYS+  38  12.36 +/- 0.94   0.037% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    LYS+  38  17.15 +/- 1.59   0.005% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LYS+  38  19.14 +/- 0.45   0.002% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  38  31.11 +/- 1.33   0.000% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1048 (1.89, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 5.2, residual support = 219.2:
      O   HB3   LYS+  38 - HN    LYS+  38   4.05 +/- 0.09  92.402% * 99.4497% (0.90  10.0   5.20 219.19) =  99.998%  kept
          QB    LYS+  33 - HN    LYS+  38   6.27 +/- 0.38   7.298% *  0.0219% (0.20   1.0   0.02   0.02) =   0.002%
          HB3   GLN   30 - HN    LYS+  38  10.89 +/- 0.66   0.271% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  38  17.65 +/- 0.83   0.014% *  0.0378% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LYS+  38  21.50 +/- 4.32   0.009% *  0.0247% (0.22   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  38  26.90 +/- 1.74   0.001% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  38  27.83 +/- 1.55   0.001% *  0.0994% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  38  28.72 +/- 0.86   0.001% *  0.1099% (0.99   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  38  25.14 +/- 1.75   0.002% *  0.0342% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  38  30.55 +/- 1.40   0.001% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1049 (1.31, 7.88, 117.58 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.86, residual support = 219.2:
          HG2   LYS+  38 - HN    LYS+  38   3.29 +/- 0.24  99.395% * 98.4040% (0.65   5.86 219.19) =  99.999%  kept
          HG2   LYS+  99 - HN    LYS+  38   8.37 +/- 0.72   0.441% *  0.2732% (0.53   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    LYS+  38   9.76 +/- 0.25   0.158% *  0.1156% (0.22   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LYS+  38  21.22 +/- 1.28   0.001% *  0.4913% (0.95   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LYS+  38  23.41 +/- 1.79   0.001% *  0.4913% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    LYS+  38  17.84 +/- 0.71   0.004% *  0.0801% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  38  30.80 +/- 2.19   0.000% *  0.1444% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1050 (2.18, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 27.9:
          HB2   LYS+  38 - HN    THR   39   4.22 +/- 0.15  98.905% * 99.1112% (1.00   5.31  27.94) =  99.999%  kept
          HB    VAL   70 - HN    THR   39   9.82 +/- 1.00   0.825% *  0.0738% (0.20   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HN    THR   39  14.90 +/- 0.88   0.062% *  0.2710% (0.73   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    THR   39  12.96 +/- 0.54   0.122% *  0.1273% (0.34   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    THR   39  15.10 +/- 1.57   0.072% *  0.0930% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    THR   39  18.69 +/- 0.39   0.014% *  0.1273% (0.34   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    THR   39  29.88 +/- 1.19   0.001% *  0.1963% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1051 (3.87, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.42, residual support = 26.7:
      O   HB3   SER   37 - HN    SER   37   2.52 +/- 0.29  97.329% * 99.5080% (0.99  10.0   3.42  26.70) =  99.997%  kept
          HB    THR   39 - HN    SER   37   5.19 +/- 0.29   2.582% *  0.0995% (0.99   1.0   0.02   2.76) =   0.003%
          HA    GLN   30 - HN    SER   37   8.45 +/- 0.36   0.085% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   37  15.65 +/- 3.66   0.004% *  0.0984% (0.98   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   37  22.71 +/- 2.28   0.000% *  0.0767% (0.76   1.0   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   37  23.61 +/- 1.58   0.000% *  0.0729% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   37  26.51 +/- 2.27   0.000% *  0.0995% (0.99   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   37  32.90 +/- 2.54   0.000% *  0.0250% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1052 (2.15, 7.91, 112.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.72, residual support = 18.9:
          QB    GLU-  36 - HN    SER   37   3.40 +/- 0.24  98.897% * 98.3046% (1.00   3.72  18.87) =  99.999%  kept
          HG3   GLU- 100 - HN    SER   37   8.54 +/- 1.76   0.997% *  0.0926% (0.18   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    SER   37  11.47 +/- 0.58   0.077% *  0.4585% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    SER   37  13.58 +/- 0.81   0.028% *  0.2573% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    SER   37  24.64 +/- 1.26   0.001% *  0.5239% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    SER   37  31.17 +/- 1.29   0.000% *  0.3631% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1053 (1.30, 7.91, 112.05 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 4.12, residual support = 13.7:
          HG2   LYS+  38 - HN    SER   37   4.84 +/- 0.14  98.501% * 97.0677% (0.38   4.12  13.72) =  99.994%  kept
          HG2   LYS+  99 - HN    SER   37  10.02 +/- 0.74   1.420% *  0.3489% (0.28   0.02   0.02) =   0.005%
          QG2   THR   23 - HN    SER   37  17.02 +/- 0.68   0.055% *  0.4281% (0.34   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    SER   37  21.13 +/- 1.19   0.015% *  1.2439% (0.99   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    SER   37  23.59 +/- 1.69   0.008% *  0.9113% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.30 A, kept.
 
    Peak 1054 (2.93, 7.76, 119.36 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.05, residual support = 51.5:
          HB2   ASN   35 - HN    GLU-  36   3.57 +/- 0.16  94.675% * 97.9497% (0.65   6.05  51.47) =  99.975%  kept
          QE    LYS+  33 - HN    GLU-  36   6.21 +/- 0.71   5.251% *  0.4340% (0.87   0.02   0.02) =   0.025%
          HB2   ASN   28 - HN    GLU-  36  11.98 +/- 0.48   0.069% *  0.4733% (0.95   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  36  20.74 +/- 2.45   0.003% *  0.4733% (0.95   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  36  22.70 +/- 1.42   0.002% *  0.4992% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  36  27.42 +/- 0.80   0.000% *  0.1707% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1055 (2.47, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.85, residual support = 86.7:
          HG2   GLU-  36 - HN    GLU-  36   3.38 +/- 0.54  99.990% * 99.4349% (0.97   4.85  86.68) = 100.000%  kept
          HG3   MET   96 - HN    GLU-  36  17.25 +/- 1.19   0.009% *  0.3402% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    GLU-  36  25.00 +/- 0.95   0.001% *  0.1594% (0.38   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  36  31.18 +/- 1.34   0.000% *  0.0655% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1056 (2.14, 7.76, 119.36 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 7.31, residual support = 86.7:
      O   QB    GLU-  36 - HN    GLU-  36   2.13 +/- 0.08  99.955% * 99.6951% (0.90  10.0   7.31  86.68) = 100.000%  kept
          HG3   GLU- 100 - HN    GLU-  36   9.59 +/- 1.89   0.031% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  36   9.93 +/- 0.52   0.010% *  0.0674% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  36  11.96 +/- 0.69   0.003% *  0.0277% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  36  23.86 +/- 1.38   0.000% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU-  36  17.57 +/- 0.31   0.000% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  36  30.46 +/- 1.45   0.000% *  0.0457% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (2.29, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.647, support = 4.85, residual support = 86.7:
          HG3   GLU-  36 - HN    GLU-  36   4.02 +/- 0.09  99.808% * 97.3223% (0.65   4.85  86.68) =  99.999%  kept
          QG    GLU-  15 - HN    GLU-  36  14.42 +/- 2.20   0.082% *  0.2781% (0.45   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLU-  36  18.09 +/- 3.80   0.029% *  0.5563% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    GLU-  36  16.03 +/- 2.28   0.040% *  0.1914% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLU-  36  16.21 +/- 0.81   0.024% *  0.1547% (0.25   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  36  19.10 +/- 0.83   0.009% *  0.2116% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU-  36  23.44 +/- 1.36   0.003% *  0.3019% (0.49   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    GLU-  36  25.39 +/- 1.42   0.002% *  0.3512% (0.57   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    GLU-  36  30.14 +/- 0.97   0.001% *  0.4012% (0.65   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  36  25.86 +/- 1.68   0.002% *  0.1227% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU-  36  31.24 +/- 2.26   0.001% *  0.1086% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1058 (3.55, 6.53, 110.12 ppm):
    3 chemical-shift based assignments, quality = 0.223, support = 0.02, residual support = 0.02:
          HA2   GLY  101 - HD22  ASN   35   6.93 +/- 1.84  97.371% * 14.8773% (0.20   0.02   0.02) =  92.830%  kept
          HB2   TRP   27 - HD22  ASN   35  14.57 +/- 1.32   2.578% * 42.5614% (0.57   0.02   0.02) =   7.032%  kept
          HD2   PRO   93 - HD22  ASN   35  27.94 +/- 1.63   0.050% * 42.5614% (0.57   0.02   0.02) =   0.138%
    Distance limit 4.84 A violated in 13 structures by 2.14 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1059 (2.94, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 3.58, residual support = 55.3:
      O   HB2   ASN   35 - HD22  ASN   35   3.57 +/- 0.09  99.792% * 99.5004% (0.76  10.0   3.58  55.32) = 100.000%  kept
          QE    LYS+  33 - HD22  ASN   35  10.98 +/- 0.66   0.132% *  0.0995% (0.76   1.0   0.02   1.29) =   0.000%
          HB2   ASN   28 - HD22  ASN   35  12.62 +/- 1.05   0.065% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD22  ASN   35  18.88 +/- 3.80   0.010% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   35  25.66 +/- 1.03   0.001% *  0.1256% (0.96   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   35  28.22 +/- 1.81   0.000% *  0.0325% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1060 (3.99, 7.37, 110.13 ppm):
    10 chemical-shift based assignments, quality = 0.762, support = 1.59, residual support = 6.22:
          HA    GLN   32 - HD21  ASN   35   4.13 +/- 0.41  95.817% * 54.3613% (0.76   1.59   6.35) =  97.437%  kept
          HA    LYS+  33 - HD21  ASN   35   7.35 +/- 0.30   3.364% * 40.5452% (0.69   1.32   1.29) =   2.552%  kept
          HA    GLU-  29 - HD21  ASN   35   9.36 +/- 0.58   0.732% *  0.7453% (0.83   0.02   0.02) =   0.010%
          HA    VAL   70 - HD21  ASN   35  14.61 +/- 1.22   0.061% *  0.3349% (0.38   0.02   0.02) =   0.000%
          HB2   SER   82 - HD21  ASN   35  20.01 +/- 3.46   0.011% *  0.8237% (0.92   0.02   0.02) =   0.000%
          HA    VAL   18 - HD21  ASN   35  19.78 +/- 1.12   0.009% *  0.7740% (0.87   0.02   0.02) =   0.000%
          HA    ALA   88 - HD21  ASN   35  24.06 +/- 3.02   0.003% *  0.7145% (0.80   0.02   0.02) =   0.000%
          HA    SER   48 - HD21  ASN   35  29.17 +/- 2.44   0.001% *  0.8611% (0.96   0.02   0.02) =   0.000%
          HA    GLN  116 - HD21  ASN   35  28.35 +/- 1.55   0.001% *  0.3349% (0.38   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD21  ASN   35  31.14 +/- 2.54   0.001% *  0.5052% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.61 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 = 55.3:
      O   HB2   ASN   35 - HD21  ASN   35   2.39 +/- 0.21  99.957% * 99.3188% (0.61  10.0   3.58  55.32) = 100.000%  kept
          QE    LYS+  33 - HD21  ASN   35   9.76 +/- 0.69   0.027% *  0.1469% (0.90   1.0   0.02   1.29) =   0.000%
          HB2   ASN   28 - HD21  ASN   35  11.21 +/- 0.89   0.014% *  0.1580% (0.96   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD21  ASN   35  18.25 +/- 3.38   0.001% *  0.1512% (0.92   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   35  25.10 +/- 1.27   0.000% *  0.1637% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   35  27.18 +/- 1.48   0.000% *  0.0615% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1062 (4.00, 8.06, 119.69 ppm):
    10 chemical-shift based assignments, quality = 0.646, support = 4.11, residual support = 43.9:
      O   HA    GLN   32 - HN    GLN   32   2.74 +/- 0.03  81.126% * 77.6868% (0.65  10.0   4.13  44.21) =  99.179%  kept
          HA    LYS+  33 - HN    GLN   32   5.26 +/- 0.07   1.640% * 20.6585% (0.80   1.0   4.30  11.36) =   0.533%  kept
          HA    GLU-  29 - HN    GLN   32   3.56 +/- 0.13  17.222% *  1.0625% (0.92   1.0   0.19   0.02) =   0.288%
          HB2   SER   82 - HN    GLN   32  15.90 +/- 2.67   0.003% *  0.1177% (0.98   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLN   32  13.47 +/- 0.87   0.006% *  0.0585% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLN   32  15.67 +/- 0.72   0.002% *  0.1136% (0.95   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   32  21.62 +/- 1.96   0.000% *  0.0825% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   32  24.94 +/- 1.86   0.000% *  0.1077% (0.90   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   32  27.44 +/- 1.00   0.000% *  0.0585% (0.49   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   32  28.01 +/- 1.46   0.000% *  0.0538% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.01, 7.95, 120.58 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 5.59, residual support = 148.4:
      O   HA    LYS+  33 - HN    LYS+  33   2.86 +/- 0.01  95.700% * 99.4322% (0.87  10.0   5.59 148.41) =  99.996%  kept
          HA    GLU-  29 - HN    LYS+  33   4.98 +/- 0.41   4.025% *  0.0832% (0.73   1.0   0.02   0.02) =   0.004%
          HB2   SER   37 - HN    LYS+  33   7.85 +/- 0.44   0.244% *  0.0558% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  33  11.89 +/- 1.02   0.021% *  0.1146% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  33  14.75 +/- 0.74   0.005% *  0.0787% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  33  18.05 +/- 2.39   0.002% *  0.0695% (0.61   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LYS+  33  17.95 +/- 1.58   0.002% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  33  27.11 +/- 1.21   0.000% *  0.1146% (1.00   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  33  25.81 +/- 2.03   0.000% *  0.0286% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1064 (4.16, 8.29, 121.00 ppm):
    9 chemical-shift based assignments, quality = 0.429, support = 3.67, residual support = 23.7:
      O   HA    ASN   28 - HN    GLU-  29   3.65 +/- 0.00  30.492% * 72.6097% (0.18  10.0   5.10  35.78) =  64.915%  kept
          HA    THR   26 - HN    GLU-  29   3.29 +/- 0.17  58.004% * 19.2475% (0.95   1.0   0.98   1.40) =  32.735%  kept
          HA    GLU-  25 - HN    GLU-  29   4.47 +/- 0.42  11.436% *  7.0076% (0.22   1.0   1.52   0.02) =   2.350%  kept
          HA    ALA   34 - HN    GLU-  29  11.01 +/- 0.31   0.041% *  0.1280% (0.31   1.0   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLU-  29  12.92 +/- 0.69   0.016% *  0.1704% (0.41   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU-  29  15.24 +/- 2.33   0.010% *  0.2018% (0.49   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLU-  29  24.60 +/- 1.26   0.000% *  0.2848% (0.69   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLU-  29  29.14 +/- 1.40   0.000% *  0.2682% (0.65   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLU-  29  25.64 +/- 1.02   0.000% *  0.0820% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1065 (2.93, 6.97, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 4.47, residual support = 106.2:
      O   HB2   ASN   28 - HD22  ASN   28   3.72 +/- 0.24  98.805% * 99.6000% (0.95  10.0   4.47 106.18) =  99.999%  kept
          HB2   ASP-  86 - HD22  ASN   28   9.02 +/- 2.05   0.908% *  0.0996% (0.95   1.0   0.02   0.02) =   0.001%
          QE    LYS+  33 - HD22  ASN   28  11.31 +/- 1.51   0.157% *  0.0913% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD22  ASN   28  11.74 +/- 1.06   0.110% *  0.0681% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   28  16.36 +/- 1.53   0.018% *  0.0359% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   28  22.62 +/- 1.90   0.002% *  0.1051% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1066 (2.72, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.06, residual support = 156.0:
      O   HG2   GLN   30 - HE21  GLN   30   3.64 +/- 0.42  99.818% * 99.8337% (0.61  10.0   4.06 156.00) = 100.000%  kept
          HB3   ASN   28 - HE21  GLN   30  10.69 +/- 0.72   0.172% *  0.1375% (0.84   1.0   0.02   8.35) =   0.000%
          QE    LYS+ 121 - HE21  GLN   30  19.74 +/- 3.07   0.010% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1067 (2.72, 6.64, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.04, residual support = 156.0:
      O   HG2   GLN   30 - HE22  GLN   30   2.91 +/- 0.34  99.890% * 99.8337% (0.61  10.0   4.04 156.00) = 100.000%  kept
          HB3   ASN   28 - HE22  GLN   30   9.44 +/- 0.52   0.108% *  0.1375% (0.84   1.0   0.02   8.35) =   0.000%
          QE    LYS+ 121 - HE22  GLN   30  19.87 +/- 2.91   0.003% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (2.73, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.18, residual support = 106.2:
      O   HB3   ASN   28 - HD22  ASN   28   3.73 +/- 0.47  98.995% * 99.7665% (0.90  10.0   4.18 106.18) =  99.999%  kept
          HG2   GLN   30 - HD22  ASN   28   8.22 +/- 0.94   0.999% *  0.1110% (1.00   1.0   0.02   8.35) =   0.001%
          QE    LYS+ 121 - HD22  ASN   28  22.81 +/- 2.29   0.003% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD22  ASN   28  22.96 +/- 3.00   0.003% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1069 (1.07, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 1.57, residual support = 13.0:
          QG2   VAL   24 - HD22  ASN   28   2.55 +/- 0.53  99.997% * 97.8195% (0.97   1.57  13.01) = 100.000%  kept
          HG    LEU   63 - HD22  ASN   28  20.33 +/- 1.51   0.001% *  1.1185% (0.87   0.02   0.02) =   0.000%
          QG1   VAL  107 - HD22  ASN   28  17.81 +/- 1.27   0.002% *  0.4839% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD22  ASN   28  27.51 +/- 2.68   0.000% *  0.5781% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 5.92, residual support = 94.7:
      O   HA    GLU-  29 - HN    GLU-  29   2.74 +/- 0.03  99.656% * 99.3483% (0.84  10.0   5.92  94.66) = 100.000%  kept
          HA    LYS+  33 - HN    GLU-  29   9.20 +/- 0.39   0.072% *  0.1125% (0.95   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLU-  29   7.51 +/- 0.24   0.242% *  0.0184% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLU-  29  12.29 +/- 2.06   0.017% *  0.0864% (0.73   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLU-  29  15.34 +/- 0.54   0.003% *  0.0952% (0.80   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLU-  29  16.14 +/- 0.66   0.002% *  0.1166% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLU-  29  14.21 +/- 0.49   0.005% *  0.0446% (0.38   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLU-  29  22.23 +/- 2.29   0.000% *  0.0406% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLU-  29  19.53 +/- 1.27   0.001% *  0.0208% (0.18   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLU-  29  28.54 +/- 1.04   0.000% *  0.1166% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 5.87, residual support = 35.8:
          HB2   ASN   28 - HN    GLU-  29   2.22 +/- 0.07  99.880% * 98.6754% (0.97   5.87  35.78) = 100.000%  kept
          QE    LYS+  33 - HN    GLU-  29   7.71 +/- 1.56   0.107% *  0.3125% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    GLU-  29  10.48 +/- 0.60   0.010% *  0.2113% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  29  13.63 +/- 1.40   0.002% *  0.3216% (0.92   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  29  18.65 +/- 0.94   0.000% *  0.1308% (0.38   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  29  22.35 +/- 2.10   0.000% *  0.3484% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1072 (2.74, 8.29, 121.00 ppm):
    4 chemical-shift based assignments, quality = 0.66, support = 5.68, residual support = 34.8:
          HB3   ASN   28 - HN    GLU-  29   3.36 +/- 0.21  94.479% * 48.1981% (0.65   5.75  35.78) =  94.136%  kept
          HG2   GLN   30 - HN    GLU-  29   5.57 +/- 0.35   5.520% * 51.3893% (0.87   4.57  19.58) =   5.864%  kept
          QE    LYS+ 121 - HN    GLU-  29  24.65 +/- 2.55   0.001% *  0.2451% (0.95   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLU-  29  24.04 +/- 2.87   0.001% *  0.1676% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 94.7:
          HG2   GLU-  29 - HN    GLU-  29   2.76 +/- 0.60  97.168% * 97.7762% (0.57   5.45  94.66) =  99.995%  kept
          QG    GLN   32 - HN    GLU-  29   6.65 +/- 0.81   2.805% *  0.1763% (0.28   0.02   0.02) =   0.005%
          HB3   ASP-  86 - HN    GLU-  29  13.60 +/- 1.67   0.022% *  0.2607% (0.41   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    GLU-  29  16.92 +/- 1.03   0.005% *  0.6285% (0.99   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLU-  29  22.56 +/- 0.92   0.001% *  0.5297% (0.84   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLU-  29  26.83 +/- 2.80   0.000% *  0.6285% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1075 (4.15, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.639, support = 3.49, residual support = 7.1:
          HA    ASN   28 - HN    GLN   30   3.93 +/- 0.15  47.662% * 56.9895% (0.45   4.63   8.35) =  63.018%  kept
          HA    THR   26 - HN    GLN   30   4.08 +/- 0.28  38.898% * 40.9647% (0.97   1.55   4.97) =  36.969%  kept
          HA1   GLY  101 - HN    LYS+  99   4.97 +/- 0.44  12.643% *  0.0301% (0.05   0.02   1.42) =   0.009%
          HA    ALA   34 - HN    GLN   30   8.66 +/- 0.37   0.421% *  0.3551% (0.65   0.02   0.47) =   0.003%
          HA1   GLY  101 - HN    GLN   30  13.83 +/- 2.26   0.042% *  0.4585% (0.84   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLN   30  11.07 +/- 0.75   0.097% *  0.0847% (0.15   0.02  14.09) =   0.000%
          HA    ALA   34 - HN    LYS+  99  10.00 +/- 0.65   0.184% *  0.0233% (0.04   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+  99  14.06 +/- 1.01   0.025% *  0.0162% (0.03   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLN   30  23.80 +/- 0.96   0.001% *  0.2672% (0.49   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLN   30  27.39 +/- 1.31   0.000% *  0.5192% (0.95   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLN   30  23.37 +/- 1.23   0.001% *  0.1872% (0.34   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+  99  18.53 +/- 1.25   0.005% *  0.0341% (0.06   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+  99  18.73 +/- 0.95   0.004% *  0.0348% (0.06   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  99  16.66 +/- 0.70   0.008% *  0.0176% (0.03   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+  99  22.03 +/- 2.55   0.004% *  0.0123% (0.02   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+  99  18.68 +/- 0.73   0.004% *  0.0056% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1076 (4.00, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.998, support = 5.45, residual support = 19.6:
      O   HA    GLU-  29 - HN    GLN   30   3.51 +/- 0.01  96.474% * 99.3278% (1.00  10.0   5.45  19.58) =  99.998%  kept
          HA    LYS+  33 - HN    GLN   30   7.57 +/- 0.26   0.973% *  0.0976% (0.98   1.0   0.02   0.17) =   0.001%
          HA    GLN   32 - HN    GLN   30   6.67 +/- 0.16   2.058% *  0.0374% (0.38   1.0   0.02   1.61) =   0.001%
          HA    VAL   18 - HN    GLN   30  13.18 +/- 0.59   0.036% *  0.0987% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   30  13.76 +/- 2.11   0.037% *  0.0961% (0.97   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLN   30  13.48 +/- 0.67   0.031% *  0.0761% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN   30  11.92 +/- 0.47   0.065% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  99  10.23 +/- 0.75   0.175% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LYS+  99  14.09 +/- 0.65   0.024% *  0.0064% (0.06   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   30  21.88 +/- 2.18   0.002% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   30  20.07 +/- 1.44   0.003% *  0.0409% (0.41   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  99  12.84 +/- 0.81   0.044% *  0.0025% (0.02   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LYS+  99  16.59 +/- 0.88   0.009% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  99  16.87 +/- 0.49   0.008% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LYS+  99  12.50 +/- 0.60   0.049% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   30  26.46 +/- 1.04   0.001% *  0.0761% (0.76   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  99  18.86 +/- 0.93   0.004% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   30  25.55 +/- 1.49   0.001% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  99  22.35 +/- 3.20   0.002% *  0.0063% (0.06   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  99  22.35 +/- 2.60   0.002% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  99  25.33 +/- 3.08   0.003% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  99  25.94 +/- 2.40   0.001% *  0.0042% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 6.34, residual support = 156.0:
      O   HA    GLN   30 - HN    GLN   30   2.83 +/- 0.01  99.810% * 99.5516% (0.92  10.0   6.34 156.00) = 100.000%  kept
          HB    THR   39 - HN    GLN   30  10.13 +/- 0.58   0.051% *  0.0483% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   30  10.59 +/- 0.53   0.038% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLN   30  13.37 +/- 2.07   0.012% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   30  15.80 +/- 3.27   0.008% *  0.0525% (0.49   1.0   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LYS+  99   9.94 +/- 0.45   0.056% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLN   30  19.53 +/- 2.15   0.001% *  0.0333% (0.31   1.0   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    LYS+  99  14.59 +/- 0.77   0.006% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LYS+  99  12.54 +/- 0.57   0.014% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLN   30  22.93 +/- 1.29   0.000% *  0.0567% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLN   30  27.08 +/- 1.67   0.000% *  0.1041% (0.97   1.0   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LYS+  99  26.58 +/- 3.36   0.001% *  0.0068% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LYS+  99  21.56 +/- 3.21   0.001% *  0.0057% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LYS+  99  23.26 +/- 2.52   0.001% *  0.0037% (0.03   1.0   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LYS+  99  21.49 +/- 2.68   0.001% *  0.0034% (0.03   1.0   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LYS+  99  20.31 +/- 2.42   0.001% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1078 (2.73, 8.31, 118.54 ppm):
    8 chemical-shift based assignments, quality = 0.994, support = 6.97, residual support = 149.9:
          HG2   GLN   30 - HN    GLN   30   3.46 +/- 0.26  89.825% * 71.8013% (1.00   7.14 156.00) =  95.865%  kept
          HB3   ASN   28 - HN    GLN   30   5.07 +/- 0.14   9.958% * 27.9369% (0.90   3.09   8.35) =   4.135%  kept
          QE    LYS+ 121 - HN    LYS+  99  12.19 +/- 2.85   0.132% *  0.0096% (0.05   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    LYS+  99  13.12 +/- 2.96   0.057% *  0.0050% (0.02   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    GLN   30  22.75 +/- 2.68   0.002% *  0.1464% (0.73   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    LYS+  99  15.47 +/- 1.16   0.015% *  0.0132% (0.07   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLN   30  21.64 +/- 2.86   0.002% *  0.0757% (0.38   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LYS+  99  16.14 +/- 0.94   0.010% *  0.0119% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1079 (1.87, 8.31, 118.54 ppm):
    26 chemical-shift based assignments, quality = 0.687, support = 6.66, residual support = 156.0:
      O   HB3   GLN   30 - HN    GLN   30   2.60 +/- 0.58  96.732% * 98.7410% (0.69  10.0   6.66 156.00) =  99.998%  kept
          QB    LYS+  33 - HN    GLN   30   5.55 +/- 0.56   1.966% *  0.1044% (0.73   1.0   0.02   0.17) =   0.002%
          HB    ILE  103 - HN    LYS+  99   6.31 +/- 0.43   0.970% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  99   9.07 +/- 0.60   0.094% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  99   9.55 +/- 0.53   0.078% *  0.0085% (0.06   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   30  14.98 +/- 0.26   0.005% *  0.1247% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  99   8.99 +/- 0.43   0.105% *  0.0057% (0.04   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   30  15.97 +/- 1.71   0.004% *  0.1247% (0.87   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    GLN   30  16.83 +/- 0.93   0.003% *  0.1289% (0.90   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   30  17.67 +/- 1.18   0.002% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  99  12.83 +/- 0.69   0.014% *  0.0069% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  99  13.65 +/- 0.96   0.013% *  0.0065% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   30  20.06 +/- 1.21   0.001% *  0.0872% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   30  19.90 +/- 1.12   0.001% *  0.0700% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   30  23.01 +/- 1.30   0.000% *  0.1151% (0.80   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  99  15.53 +/- 2.29   0.008% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   30  23.89 +/- 1.24   0.000% *  0.1387% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   30  23.43 +/- 1.25   0.000% *  0.0756% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   30  25.77 +/- 2.80   0.000% *  0.0814% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   30  25.82 +/- 1.60   0.000% *  0.0490% (0.34   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  99  20.46 +/- 2.01   0.001% *  0.0091% (0.06   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  99  23.20 +/- 2.26   0.001% *  0.0082% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  99  21.51 +/- 0.56   0.001% *  0.0050% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  99  24.71 +/- 1.68   0.000% *  0.0076% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  99  23.03 +/- 2.21   0.000% *  0.0032% (0.02   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  99  26.20 +/- 3.07   0.000% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1080 (0.79, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.807, support = 5.61, residual support = 48.5:
          HG    LEU   31 - HN    GLN   30   4.72 +/- 0.75  38.208% * 86.4878% (0.80   5.86  50.79) =  95.018%  kept
          QD2   LEU   73 - HN    GLN   30   5.87 +/- 0.90  13.543% * 12.7583% (0.92   0.75   5.24) =   4.968%  kept
          QG1   VAL   41 - HN    LYS+  99   4.53 +/- 0.77  45.426% *  0.0060% (0.02   0.02   0.02) =   0.008%
          QG1   VAL   41 - HN    GLN   30   7.89 +/- 0.72   2.089% *  0.0919% (0.25   0.02   0.02) =   0.006%
          QD2   LEU   73 - HN    LYS+  99  10.82 +/- 0.77   0.250% *  0.0224% (0.06   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LYS+  99  11.20 +/- 1.06   0.232% *  0.0194% (0.05   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  99  12.23 +/- 2.87   0.224% *  0.0137% (0.04   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    GLN   30  19.69 +/- 1.71   0.007% *  0.3677% (1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    LYS+  99  16.43 +/- 1.22   0.020% *  0.0242% (0.07   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    GLN   30  24.15 +/- 2.68   0.002% *  0.2087% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1081 (1.49, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 4.97:
          QG2   THR   26 - HN    GLN   30   4.02 +/- 0.27  93.278% * 94.2903% (0.73   2.00   4.97) =  99.993%  kept
          HB3   LEU   40 - HN    LYS+  99   6.70 +/- 0.85   6.272% *  0.0619% (0.05   0.02  11.63) =   0.004%
          HB2   LYS+  74 - HN    GLN   30  12.34 +/- 0.63   0.125% *  1.2283% (0.95   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    GLN   30  14.14 +/- 0.65   0.060% *  0.9429% (0.73   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HN    LYS+  99  13.50 +/- 2.41   0.114% *  0.0483% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    GLN   30  20.96 +/- 2.34   0.007% *  0.8400% (0.65   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  99  15.23 +/- 0.90   0.033% *  0.0619% (0.05   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LYS+  99  14.52 +/- 1.76   0.048% *  0.0415% (0.03   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    GLN   30  23.02 +/- 1.32   0.003% *  0.6320% (0.49   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    GLN   30  24.51 +/- 2.38   0.002% *  0.7352% (0.57   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    GLN   30  21.24 +/- 0.76   0.005% *  0.2891% (0.22   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    GLN   30  24.42 +/- 1.48   0.002% *  0.6320% (0.49   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  99  18.29 +/- 0.63   0.011% *  0.0807% (0.06   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+  99  18.48 +/- 1.44   0.011% *  0.0415% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+  99  16.61 +/- 1.45   0.023% *  0.0190% (0.01   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+  99  20.34 +/- 1.04   0.006% *  0.0552% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1082 (2.06, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.393, support = 6.42, residual support = 156.0:
      O   HB2   GLN   30 - HN    GLN   30   2.98 +/- 0.63  60.518% * 87.3367% (0.41  10.0   6.44 156.00) =  92.254%  kept
          HG3   GLN   30 - HN    GLN   30   3.37 +/- 0.40  38.571% * 11.5052% (0.18   1.0   6.18 156.00) =   7.746%  kept
          HB3   GLU- 100 - HN    LYS+  99   6.20 +/- 0.38   0.865% *  0.0048% (0.02   1.0   0.02  39.58) =   0.000%
          HG2   MET   11 - HN    GLN   30  20.36 +/- 4.76   0.012% *  0.1203% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    GLN   30  15.39 +/- 2.12   0.006% *  0.1118% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLN   30  15.91 +/- 1.68   0.003% *  0.0725% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLN   30  20.12 +/- 1.71   0.001% *  0.2050% (0.97   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLN   30  22.34 +/- 1.38   0.000% *  0.1374% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+  99  13.37 +/- 0.81   0.010% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+  99  15.91 +/- 0.60   0.003% *  0.0090% (0.04   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLN   30  27.04 +/- 2.68   0.000% *  0.1543% (0.73   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLN   30  25.22 +/- 1.21   0.000% *  0.0873% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLN   30  25.68 +/- 1.36   0.000% *  0.0952% (0.45   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLN   30  26.81 +/- 1.90   0.000% *  0.0952% (0.45   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LYS+  99  17.29 +/- 1.36   0.002% *  0.0057% (0.03   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  99  25.39 +/- 3.73   0.002% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LYS+  99  19.55 +/- 0.82   0.001% *  0.0135% (0.06   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+  99  15.42 +/- 1.36   0.004% *  0.0024% (0.01   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  99  22.02 +/- 2.37   0.001% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  99  21.96 +/- 2.06   0.001% *  0.0073% (0.03   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+  99  26.57 +/- 3.25   0.000% *  0.0101% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    LYS+  99  28.21 +/- 3.82   0.000% *  0.0079% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1083 (2.16, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.926, support = 4.85, residual support = 19.6:
          HB3   GLU-  29 - HN    GLN   30   4.00 +/- 0.20  70.353% * 43.2170% (0.90   4.55  19.58) =  65.284%  kept
          HG3   GLU-  29 - HN    GLN   30   4.76 +/- 0.56  28.798% * 56.1409% (0.98   5.41  19.58) =  34.715%  kept
          QB    GLU-  36 - HN    GLN   30   9.04 +/- 0.35   0.515% *  0.1284% (0.61   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    GLN   30  14.68 +/- 0.25   0.028% *  0.1284% (0.61   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLN   30  15.02 +/- 1.62   0.031% *  0.1114% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LYS+  99  10.57 +/- 0.57   0.205% *  0.0084% (0.04   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LYS+  99  13.22 +/- 0.53   0.053% *  0.0084% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLN   30  23.42 +/- 1.20   0.002% *  0.2098% (0.99   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  99  18.23 +/- 0.80   0.008% *  0.0125% (0.06   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  99  19.28 +/- 1.06   0.006% *  0.0136% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  99  25.42 +/- 1.65   0.001% *  0.0138% (0.07   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    LYS+  99  24.07 +/- 1.78   0.002% *  0.0073% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.31 A, kept.
 
    Peak 1084 (2.24, 8.29, 121.00 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.37, residual support = 94.7:
      O   HB2   GLU-  29 - HN    GLU-  29   2.44 +/- 0.26  99.993% * 99.4303% (0.76  10.0   5.37  94.66) = 100.000%  kept
          HB3   ASP-  76 - HN    GLU-  29  15.38 +/- 1.14   0.002% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    GLU-  29  14.50 +/- 0.82   0.003% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLU-  29  17.63 +/- 1.61   0.001% *  0.1042% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  29  22.90 +/- 1.15   0.000% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  29  25.35 +/- 1.15   0.000% *  0.1129% (0.87   1.0   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  29  19.24 +/- 1.41   0.000% *  0.0176% (0.14   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  29  25.35 +/- 1.23   0.000% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1085 (2.17, 8.29, 121.00 ppm):
    7 chemical-shift based assignments, quality = 0.823, support = 5.97, residual support = 94.7:
          HG3   GLU-  29 - HN    GLU-  29   2.94 +/- 0.38  71.289% * 32.1724% (0.97   1.0   6.38  94.66) =  55.208%  kept
      O   HB3   GLU-  29 - HN    GLU-  29   3.44 +/- 0.33  27.538% * 67.5709% (0.65  10.0   5.47  94.66) =  44.791%  kept
          HB2   GLU-  25 - HN    GLU-  29   5.90 +/- 0.45   1.129% *  0.0141% (0.14   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLU-  29  10.23 +/- 0.46   0.037% *  0.0356% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  29  16.73 +/- 0.22   0.002% *  0.0906% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  29  14.63 +/- 1.72   0.005% *  0.0290% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  29  23.22 +/- 1.15   0.000% *  0.0872% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1086 (2.03, 7.18, 111.61 ppm):
    12 chemical-shift based assignments, quality = 0.943, support = 3.14, residual support = 156.0:
      O   HG3   GLN   30 - HE21  GLN   30   4.05 +/- 0.20  31.855% * 85.8253% (0.99  10.0   2.86 156.00) =  74.677%  kept
          HB2   GLN   30 - HE21  GLN   30   3.54 +/- 0.48  67.746% * 13.6847% (0.80   1.0   3.95 156.00) =  25.322%  kept
          QB    GLU-  15 - HE21  GLN   30   9.96 +/- 1.66   0.238% *  0.0421% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HE21  GLN   30  11.55 +/- 1.10   0.065% *  0.0421% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE21  GLN   30  12.24 +/- 1.18   0.054% *  0.0267% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HE21  GLN   30  14.48 +/- 1.85   0.019% *  0.0751% (0.87   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HE21  GLN   30  15.36 +/- 1.47   0.012% *  0.0751% (0.87   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HE21  GLN   30  20.95 +/- 1.23   0.002% *  0.0693% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HE21  GLN   30  17.84 +/- 1.92   0.006% *  0.0193% (0.22   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HE21  GLN   30  20.81 +/- 1.47   0.002% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HE21  GLN   30  23.87 +/- 3.00   0.001% *  0.0421% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HE21  GLN   30  25.31 +/- 2.58   0.001% *  0.0490% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 0.285, support = 1.84, residual support = 14.1:
          QG2   ILE   19 - HE21  GLN   30   3.06 +/- 0.73  79.923% * 21.6335% (0.18   1.50  14.09) =  53.416%  kept
          QD1   ILE   19 - HE21  GLN   30   4.25 +/- 1.34  19.916% * 75.7027% (0.41   2.24  14.09) =  46.579%  kept
          QD1   LEU   98 - HE21  GLN   30  10.57 +/- 1.32   0.092% *  1.4771% (0.90   0.02   0.02) =   0.004%
          QD2   LEU  104 - HE21  GLN   30  13.51 +/- 1.64   0.022% *  0.9325% (0.57   0.02   0.02) =   0.001%
          QG2   THR   46 - HE21  GLN   30  12.74 +/- 1.34   0.048% *  0.2541% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1088 (0.72, 6.64, 111.61 ppm):
    5 chemical-shift based assignments, quality = 0.252, support = 2.17, residual support = 14.1:
          QG2   ILE   19 - HE22  GLN   30   3.62 +/- 0.72  83.105% * 28.2597% (0.18   2.13  14.09) =  67.506%  kept
          QD1   ILE   19 - HE22  GLN   30   5.03 +/- 1.21  16.305% * 69.2953% (0.41   2.23  14.09) =  32.477%  kept
          QD1   LEU   98 - HE22  GLN   30  10.08 +/- 1.14   0.369% *  1.3558% (0.90   0.02   0.02) =   0.014%
          QD2   LEU  104 - HE22  GLN   30  13.35 +/- 1.78   0.080% *  0.8559% (0.57   0.02   0.02) =   0.002%
          QG2   THR   46 - HE22  GLN   30  12.45 +/- 1.47   0.141% *  0.2333% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.76 A violated in 1 structures by 0.06 A, kept.
 
    Peak 1089 (3.61, 8.06, 119.69 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.93, residual support = 45.5:
      O   HA    LEU   31 - HN    GLN   32   3.59 +/- 0.03  99.995% * 99.9819% (0.97  10.0   5.93  45.48) = 100.000%  kept
          HA    THR   77 - HN    GLN   32  19.18 +/- 1.62   0.005% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1090 (2.40, 8.06, 119.69 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 4.17, residual support = 44.2:
          QG    GLN   32 - HN    GLN   32   3.50 +/- 0.59  99.929% * 98.8435% (0.99   4.17  44.21) = 100.000%  kept
          QG    GLU-  79 - HN    GLN   32  16.29 +/- 1.34   0.016% *  0.3826% (0.80   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN   32  13.63 +/- 1.41   0.045% *  0.1064% (0.22   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    GLN   32  18.34 +/- 1.19   0.007% *  0.1328% (0.28   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLN   32  21.81 +/- 0.76   0.002% *  0.3282% (0.69   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLN   32  26.83 +/- 2.66   0.001% *  0.1328% (0.28   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLN   32  29.59 +/- 0.84   0.000% *  0.0737% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1091 (2.12, 8.06, 119.69 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 4.17, residual support = 44.2:
      O   QB    GLN   32 - HN    GLN   32   2.14 +/- 0.11  99.993% * 99.6924% (0.90  10.0   4.17  44.21) = 100.000%  kept
          HB    VAL   24 - HN    GLN   32  11.71 +/- 0.28   0.004% *  0.1052% (0.95   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   32  13.05 +/- 1.69   0.003% *  0.1090% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLN   32  19.81 +/- 1.29   0.000% *  0.0764% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLN   32  18.51 +/- 1.65   0.000% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 0.722, support = 2.96, residual support = 4.91:
          HB3   GLN   30 - HN    GLN   32   5.17 +/- 0.23  38.229% * 73.6933% (0.99   2.46   1.61) =  66.109%  kept
          QB    LYS+  33 - HN    GLN   32   4.75 +/- 0.32  61.494% * 23.4838% (0.20   3.93  11.36) =  33.888%  kept
          HB3   LYS+  38 - HN    GLN   32  12.42 +/- 0.15   0.192% *  0.5420% (0.90   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    GLN   32  17.05 +/- 0.85   0.030% *  0.2062% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   32  18.34 +/- 2.09   0.022% *  0.1865% (0.31   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    GLN   32  21.86 +/- 4.73   0.023% *  0.1346% (0.22   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   32  25.27 +/- 1.27   0.003% *  0.5990% (0.99   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   32  25.77 +/- 1.21   0.002% *  0.4619% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   32  27.86 +/- 1.61   0.002% *  0.5420% (0.90   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   32  25.03 +/- 1.52   0.003% *  0.1507% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1093 (1.34, 8.06, 119.69 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.93, residual support = 45.5:
          HB2   LEU   31 - HN    GLN   32   2.79 +/- 0.18  99.930% * 97.3743% (0.98   5.93  45.48) = 100.000%  kept
          HG    LEU   98 - HN    GLN   32  11.46 +/- 0.96   0.027% *  0.2166% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    GLN   32  11.29 +/- 0.54   0.025% *  0.2031% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    GLN   32  14.08 +/- 0.79   0.007% *  0.2432% (0.73   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLN   32  15.74 +/- 2.46   0.004% *  0.3342% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLN   32  16.82 +/- 1.01   0.002% *  0.3003% (0.90   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    GLN   32  16.77 +/- 1.32   0.002% *  0.1762% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLN   32  20.11 +/- 1.05   0.001% *  0.3232% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    GLN   32  22.60 +/- 3.68   0.001% *  0.2559% (0.76   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLN   32  18.78 +/- 1.60   0.001% *  0.0931% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    GLN   32  22.47 +/- 1.52   0.000% *  0.1630% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLN   32  29.96 +/- 2.24   0.000% *  0.3168% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1094 (1.12, 8.06, 119.69 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.93, residual support = 45.5:
          HB3   LEU   31 - HN    GLN   32   3.82 +/- 0.14  99.231% * 98.9143% (0.98   5.93  45.48) =  99.999%  kept
          QG1   VAL   24 - HN    GLN   32   9.09 +/- 0.90   0.686% *  0.1926% (0.57   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    GLN   32  12.82 +/- 0.32   0.073% *  0.1790% (0.53   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    GLN   32  19.22 +/- 0.81   0.007% *  0.0848% (0.25   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    GLN   32  24.55 +/- 1.64   0.002% *  0.3283% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    GLN   32  24.37 +/- 2.89   0.002% *  0.0673% (0.20   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    GLN   32  30.62 +/- 2.59   0.001% *  0.2337% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1096 (2.40, 7.95, 120.58 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 4.29, residual support = 11.4:
          QG    GLN   32 - HN    LYS+  33   4.19 +/- 0.28  99.959% * 98.6243% (0.84   4.29  11.36) = 100.000%  kept
          QG    GLU-  79 - HN    LYS+  33  17.36 +/- 1.20   0.023% *  0.2893% (0.53   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    LYS+  33  19.45 +/- 1.09   0.012% *  0.2893% (0.53   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    LYS+  33  22.09 +/- 0.83   0.005% *  0.5077% (0.92   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    LYS+  33  26.81 +/- 2.86   0.002% *  0.2893% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1097 (2.11, 7.95, 120.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.3, residual support = 11.4:
          QB    GLN   32 - HN    LYS+  33   2.88 +/- 0.07  99.957% * 98.5026% (1.00   4.30  11.36) = 100.000%  kept
          HG3   GLU- 100 - HN    LYS+  33  12.24 +/- 1.71   0.025% *  0.3672% (0.80   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    LYS+  33  13.63 +/- 0.23   0.009% *  0.4546% (0.99   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    LYS+  33  17.90 +/- 1.50   0.002% *  0.4234% (0.92   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  33  15.57 +/- 2.29   0.007% *  0.0708% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  33  27.32 +/- 1.54   0.000% *  0.0908% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  33  29.78 +/- 2.27   0.000% *  0.0908% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1098 (1.87, 7.95, 120.58 ppm):
    15 chemical-shift based assignments, quality = 0.965, support = 5.74, residual support = 148.4:
      O   QB    LYS+  33 - HN    LYS+  33   2.39 +/- 0.32  98.835% * 99.1015% (0.97  10.0   5.74 148.41) = 100.000%  kept
          HB3   GLN   30 - HN    LYS+  33   5.28 +/- 0.25   1.147% *  0.0385% (0.38   1.0   0.02   0.17) =   0.000%
          HB3   LYS+  38 - HN    LYS+  33  10.91 +/- 0.15   0.014% *  0.0581% (0.57   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  33  17.71 +/- 0.80   0.001% *  0.1025% (1.00   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  33  17.33 +/- 0.80   0.001% *  0.0858% (0.84   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  33  18.51 +/- 1.35   0.001% *  0.0822% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  33  19.84 +/- 1.06   0.000% *  0.0921% (0.90   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  33  20.06 +/- 1.79   0.000% *  0.1027% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  33  26.77 +/- 1.41   0.000% *  0.1018% (0.99   1.0   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  33  25.93 +/- 1.40   0.000% *  0.0746% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  33  28.74 +/- 2.65   0.000% *  0.0891% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  33  26.40 +/- 1.08   0.000% *  0.0256% (0.25   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  33  26.36 +/- 2.73   0.000% *  0.0158% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  33  27.39 +/- 1.67   0.000% *  0.0139% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  33  29.25 +/- 1.84   0.000% *  0.0158% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 148.4:
          HG2   LYS+  33 - HN    LYS+  33   3.24 +/- 0.59  99.994% * 98.5805% (0.61   4.32 148.41) = 100.000%  kept
          QG    LYS+  81 - HN    LYS+  33  20.07 +/- 1.91   0.003% *  0.6940% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HN    LYS+  33  20.24 +/- 0.98   0.003% *  0.7255% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1100 (1.36, 7.95, 120.58 ppm):
    16 chemical-shift based assignments, quality = 0.371, support = 5.33, residual support = 143.9:
          HG3   LYS+  33 - HN    LYS+  33   2.92 +/- 1.10  87.944% * 75.7779% (0.38   5.44 148.41) =  96.950%  kept
          HB2   LEU   31 - HN    LYS+  33   4.99 +/- 0.13  11.756% * 17.8258% (0.25   1.92   0.56) =   3.049%  kept
          HB3   LEU   73 - HN    LYS+  33  10.84 +/- 0.81   0.128% *  0.3909% (0.53   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    LYS+  33  12.00 +/- 1.04   0.060% *  0.6445% (0.87   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  33  11.95 +/- 0.98   0.071% *  0.3331% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  33  16.44 +/- 1.74   0.011% *  0.4206% (0.57   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+  33  18.30 +/- 1.09   0.005% *  0.7028% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LYS+  33  17.20 +/- 0.95   0.006% *  0.4506% (0.61   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  33  21.44 +/- 3.85   0.004% *  0.5678% (0.76   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  33  17.40 +/- 2.22   0.008% *  0.2788% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  33  19.84 +/- 0.74   0.003% *  0.5678% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  33  19.46 +/- 1.17   0.003% *  0.3616% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+  33  23.07 +/- 1.49   0.001% *  0.7170% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  33  22.39 +/- 1.65   0.001% *  0.3331% (0.45   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  33  31.05 +/- 2.04   0.000% *  0.4806% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  33  30.55 +/- 2.10   0.000% *  0.1470% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1101 (0.08, 7.95, 120.58 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 0.556, residual support = 0.556:
          QD2   LEU   31 - HN    LYS+  33   4.89 +/- 0.08  99.710% * 90.2713% (0.65   0.56   0.56) =  99.984%  kept
          QG2   VAL   83 - HN    LYS+  33  13.96 +/- 1.25   0.217% *  4.9778% (0.99   0.02   0.02) =   0.012%
          QD1   ILE   89 - HN    LYS+  33  17.02 +/- 2.21   0.073% *  4.7509% (0.95   0.02   0.02) =   0.004%
    Distance limit 4.61 A violated in 0 structures by 0.29 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 = 0.729, support = 1.99, residual support = 3.39:
          HA    LYS+  33 - HN    ASN   35   3.83 +/- 0.09  38.841% * 65.2442% (0.98   1.83   1.29) =  58.523%  kept
          HA    GLN   32 - HN    ASN   35   3.57 +/- 0.10  58.971% * 30.4475% (0.38   2.23   6.35) =  41.465%  kept
          HA    GLU-  29 - HN    ASN   35   8.11 +/- 0.27   0.439% *  0.7265% (1.00   0.02   0.02) =   0.007%
          HB2   SER   37 - HN    ASN   35   6.55 +/- 0.36   1.665% *  0.1123% (0.15   0.02   0.02) =   0.004%
          HA    VAL   70 - HN    ASN   35  11.10 +/- 0.94   0.073% *  0.5564% (0.76   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    ASN   35  16.23 +/- 0.68   0.007% *  0.7216% (0.99   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ASN   35  20.08 +/- 2.67   0.002% *  0.7026% (0.97   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ASN   35  26.36 +/- 1.17   0.000% *  0.5564% (0.76   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ASN   35  24.54 +/- 2.09   0.001% *  0.2993% (0.41   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASN   35  27.54 +/- 1.97   0.000% *  0.4710% (0.65   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASN   35  29.61 +/- 1.98   0.000% *  0.1621% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1115 (4.10, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.97, residual support = 51.5:
          HA    GLU-  36 - HN    ASN   35   4.90 +/- 0.02  96.982% * 98.5308% (0.97   3.97  51.47) =  99.997%  kept
          HA    ASN   28 - HN    ASN   35   8.78 +/- 0.25   2.983% *  0.1017% (0.20   0.02   0.02) =   0.003%
          HA    ALA  124 - HN    ASN   35  22.92 +/- 4.57   0.016% *  0.4116% (0.80   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASN   35  23.67 +/- 1.77   0.008% *  0.5128% (1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   35  28.58 +/- 1.89   0.003% *  0.3531% (0.69   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASN   35  24.25 +/- 0.83   0.007% *  0.0900% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.82 A, kept.
 
    Peak 1116 (2.92, 8.36, 120.50 ppm):
    8 chemical-shift based assignments, quality = 0.309, support = 5.82, residual support = 55.3:
      O   HB2   ASN   35 - HN    ASN   35   2.43 +/- 0.41  99.521% * 98.5351% (0.31  10.0   5.82  55.32) =  99.998%  kept
          QE    LYS+  33 - HN    ASN   35   6.57 +/- 0.51   0.445% *  0.3185% (1.00   1.0   0.02   1.29) =   0.001%
          HB2   ASN   28 - HN    ASN   35  10.71 +/- 0.33   0.025% *  0.3081% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   35  18.67 +/- 2.52   0.002% *  0.2065% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASN   35  13.01 +/- 1.30   0.006% *  0.0559% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   35  21.91 +/- 1.30   0.000% *  0.2769% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ASN   35  21.94 +/- 1.37   0.000% *  0.0796% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   35  25.71 +/- 0.77   0.000% *  0.2193% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1117 (1.28, 8.36, 120.50 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 3.32, residual support = 18.8:
          QB    ALA   34 - HN    ASN   35   2.89 +/- 0.06  98.467% * 98.0003% (0.92   3.32  18.76) =  99.996%  kept
          QG2   THR   39 - HN    ASN   35   6.70 +/- 0.78   1.075% *  0.1975% (0.31   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HN    ASN   35   7.25 +/- 0.58   0.450% *  0.3622% (0.57   0.02   0.02) =   0.002%
          QG2   THR   23 - HN    ASN   35  15.01 +/- 0.89   0.005% *  0.6271% (0.98   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ASN   35  20.99 +/- 1.59   0.001% *  0.4889% (0.76   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ASN   35  19.04 +/- 1.41   0.001% *  0.1266% (0.20   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ASN   35  21.79 +/- 1.28   0.001% *  0.1975% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1118 (2.93, 7.61, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.78, residual support = 106.2:
      O   HB2   ASN   28 - HD21  ASN   28   3.42 +/- 0.49  98.795% * 99.6076% (0.97  10.0   3.78 106.18) =  99.999%  kept
          HB2   ASP-  86 - HD21  ASN   28   9.48 +/- 1.87   0.975% *  0.0953% (0.92   1.0   0.02   0.02) =   0.001%
          QE    LYS+  33 - HD21  ASN   28  10.83 +/- 1.38   0.136% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD21  ASN   28  11.57 +/- 1.00   0.080% *  0.0626% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   28  16.43 +/- 1.33   0.011% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   28  22.31 +/- 2.04   0.002% *  0.1032% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1119 (2.73, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.5, residual support = 106.2:
      O   HB3   ASN   28 - HD21  ASN   28   3.59 +/- 0.25  98.781% * 99.7665% (0.90  10.0   3.50 106.18) =  99.999%  kept
          HG2   GLN   30 - HD21  ASN   28   7.62 +/- 0.79   1.215% *  0.1110% (1.00   1.0   0.02   8.35) =   0.001%
          QE    LYS+ 121 - HD21  ASN   28  22.83 +/- 2.37   0.002% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD21  ASN   28  22.83 +/- 2.85   0.002% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1120 (1.06, 7.61, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 1.78, residual support = 13.0:
          QG2   VAL   24 - HD21  ASN   28   2.68 +/- 0.65  99.992% * 96.7809% (0.76   1.78  13.01) = 100.000%  kept
          QG2   VAL  108 - HD21  ASN   28  16.11 +/- 1.93   0.004% *  0.3543% (0.25   0.02   0.02) =   0.000%
          HG    LEU   63 - HD21  ASN   28  20.16 +/- 1.42   0.001% *  1.2743% (0.90   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD21  ASN   28  17.93 +/- 1.71   0.002% *  0.2192% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD21  ASN   28  27.48 +/- 2.84   0.000% *  1.3713% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1121 (4.49, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.67, residual support = 50.5:
      O   HA    TRP   27 - HN    ASN   28   3.62 +/- 0.01  99.994% * 99.7755% (1.00  10.0   5.67  50.50) = 100.000%  kept
          HA    ALA   91 - HN    ASN   28  20.36 +/- 1.39   0.004% *  0.0921% (0.92   1.0   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ASN   28  21.84 +/- 0.95   0.002% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ASN   28  26.14 +/- 1.10   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (3.76, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.68, residual support = 13.0:
          HA    VAL   24 - HN    ASN   28   3.64 +/- 0.36  99.970% * 99.4579% (0.92   5.68  13.01) = 100.000%  kept
          HA    LYS+  38 - HN    ASN   28  15.18 +/- 0.32   0.023% *  0.1560% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASN   28  20.82 +/- 1.13   0.003% *  0.2301% (0.61   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ASN   28  20.09 +/- 1.86   0.004% *  0.1560% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1124 (3.57, 8.80, 115.33 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.59, residual support = 50.5:
          HB2   TRP   27 - HN    ASN   28   2.79 +/- 0.24  99.989% * 99.2749% (0.80   5.59  50.50) = 100.000%  kept
          HA    THR   77 - HN    ASN   28  13.68 +/- 1.63   0.010% *  0.3702% (0.84   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    ASN   28  21.37 +/- 1.23   0.001% *  0.3549% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 7.05, residual support = 106.2:
      O   HB2   ASN   28 - HN    ASN   28   2.55 +/- 0.18  99.897% * 99.6076% (0.97  10.0   7.05 106.18) = 100.000%  kept
          QE    LYS+  33 - HN    ASN   28   9.39 +/- 1.39   0.061% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   28  11.06 +/- 1.50   0.025% *  0.0953% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASN   28  11.39 +/- 0.77   0.015% *  0.0626% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   28  16.48 +/- 1.05   0.001% *  0.0387% (0.38   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   28  21.57 +/- 2.07   0.000% *  0.1032% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1126 (2.73, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 6.61, residual support = 106.2:
      O   HB3   ASN   28 - HN    ASN   28   3.54 +/- 0.01  95.038% * 99.7665% (0.90  10.0   6.61 106.18) =  99.994%  kept
          HG2   GLN   30 - HN    ASN   28   5.90 +/- 0.42   4.959% *  0.1110% (1.00   1.0   0.02   8.35) =   0.006%
          QE    LYS+ 121 - HN    ASN   28  23.31 +/- 2.39   0.001% *  0.0808% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    ASN   28  22.84 +/- 2.84   0.002% *  0.0418% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1127 (2.19, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.41, support = 2.99, residual support = 25.7:
          HG3   GLU-  29 - HN    ASN   28   5.32 +/- 0.38  59.515% * 58.3906% (0.20   4.04  35.78) =  69.583%  kept
          HB2   GLU-  25 - HN    ASN   28   5.68 +/- 0.16  39.918% * 38.0453% (0.90   0.58   2.66) =  30.409%  kept
          HB2   MET   96 - HN    ASN   28  12.44 +/- 0.92   0.392% *  0.4505% (0.31   0.02   0.02) =   0.004%
          QG    GLN   17 - HN    ASN   28  16.21 +/- 1.27   0.079% *  1.1687% (0.80   0.02   0.02) =   0.002%
          HB    VAL   70 - HN    ASN   28  17.13 +/- 0.68   0.052% *  1.0598% (0.73   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    ASN   28  17.60 +/- 0.28   0.044% *  0.8852% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.62 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1128 (1.09, 8.80, 115.33 ppm):
    5 chemical-shift based assignments, quality = 0.497, support = 3.21, residual support = 13.0:
          QG2   VAL   24 - HN    ASN   28   3.57 +/- 0.17  70.274% * 48.1311% (0.45   3.44  13.01) =  69.141%  kept
          QG1   VAL   24 - HN    ASN   28   4.30 +/- 0.65  29.719% * 50.7969% (0.61   2.69  13.01) =  30.859%  kept
          QG1   VAL  107 - HN    ASN   28  18.38 +/- 1.09   0.004% *  0.5758% (0.92   0.02   0.02) =   0.000%
          HG    LEU   63 - HN    ASN   28  20.05 +/- 1.44   0.003% *  0.1925% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ASN   28  28.62 +/- 2.83   0.000% *  0.3036% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1129 (0.61, 8.80, 115.33 ppm):
    7 chemical-shift based assignments, quality = 0.367, support = 2.77, residual support = 1.22:
          QD1   LEU   73 - HN    ASN   28   5.11 +/- 0.63  58.462% * 30.0603% (0.15   3.84   1.85) =  55.352%  kept
          QD2   LEU   80 - HN    ASN   28   6.80 +/- 2.81  21.430% * 44.1207% (0.45   1.94   0.63) =  29.781%  kept
          QG1   VAL   83 - HN    ASN   28   6.55 +/- 1.44  19.680% * 23.9730% (1.00   0.47   0.02) =  14.860%  kept
          QG2   ILE   89 - HN    ASN   28  12.89 +/- 1.25   0.230% *  0.5747% (0.57   0.02   0.02) =   0.004%
          QD1   LEU  104 - HN    ASN   28  15.72 +/- 1.72   0.111% *  0.6973% (0.69   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    ASN   28  15.64 +/- 1.18   0.075% *  0.1566% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ASN   28  21.09 +/- 1.01   0.011% *  0.4173% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.86 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1130 (3.77, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 2.99, residual support = 23.7:
          HA    VAL   24 - HN    TRP   27   2.96 +/- 0.14  99.985% * 99.0112% (0.99   2.99  23.65) = 100.000%  kept
          HA    LYS+  38 - HN    TRP   27  16.33 +/- 0.46   0.004% *  0.4845% (0.73   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    ALA   91  15.54 +/- 1.09   0.005% *  0.0817% (0.12   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    TRP   27  18.26 +/- 1.92   0.002% *  0.1169% (0.18   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    TRP   27  20.00 +/- 1.17   0.001% *  0.2059% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ALA   91  19.66 +/- 2.21   0.002% *  0.0144% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    ALA   91  27.51 +/- 1.53   0.000% *  0.0599% (0.09   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ALA   91  26.17 +/- 1.97   0.000% *  0.0254% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1131 (3.56, 7.73, 123.24 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.44, residual support = 107.8:
      O   HB2   TRP   27 - HN    TRP   27   2.25 +/- 0.17  99.818% * 99.8160% (0.99  10.0   5.44 107.84) = 100.000%  kept
          HD2   PRO   93 - HN    ALA   91   7.79 +/- 0.37   0.067% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   91   7.77 +/- 1.26   0.110% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          HA    THR   77 - HN    TRP   27  12.38 +/- 1.32   0.004% *  0.0530% (0.53   1.0   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    TRP   27  20.23 +/- 1.29   0.000% *  0.0998% (0.99   1.0   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ALA   91  16.39 +/- 1.31   0.001% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1132 (2.99, 7.73, 123.24 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 5.64, residual support = 107.8:
      O   HB3   TRP   27 - HN    TRP   27   2.99 +/- 0.36  99.927% * 99.6559% (0.99  10.0   5.64 107.84) = 100.000%  kept
          HB2   PHE   97 - HN    TRP   27  17.43 +/- 1.13   0.004% *  0.0986% (0.98   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    TRP   27  17.10 +/- 0.68   0.004% *  0.0529% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    TRP   27  16.93 +/- 1.86   0.005% *  0.0413% (0.41   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    ALA   91  14.10 +/- 2.34   0.023% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    TRP   27  18.75 +/- 1.41   0.003% *  0.0610% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ALA   91  15.49 +/- 2.34   0.019% *  0.0051% (0.05   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    TRP   27  18.53 +/- 0.60   0.002% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   91  16.33 +/- 1.49   0.005% *  0.0123% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    TRP   27  18.37 +/- 2.17   0.003% *  0.0136% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   91  18.02 +/- 1.42   0.003% *  0.0122% (0.12   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    ALA   91  22.79 +/- 1.28   0.001% *  0.0065% (0.07   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ALA   91  20.74 +/- 2.71   0.001% *  0.0017% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ALA   91  28.05 +/- 1.58   0.000% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.07 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   3.24 +/- 1.88  98.908% * 96.3485% (0.53   0.75   1.50) =  99.977%  kept
          HG2   MET   96 - HN    TRP   27  14.41 +/- 1.29   0.698% *  2.9669% (0.61   0.02   0.02) =   0.022%
          HG2   MET   96 - HN    ALA   91  14.10 +/- 1.67   0.353% *  0.3666% (0.07   0.02   0.02) =   0.001%
          HB3   CYS   21 - HN    ALA   91  18.29 +/- 1.75   0.041% *  0.3180% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 3 structures by 0.41 A, kept.
 
    Peak 1135 (1.50, 7.73, 123.24 ppm):
    20 chemical-shift based assignments, quality = 0.98, support = 4.48, residual support = 22.7:
          QG2   THR   26 - HN    TRP   27   3.33 +/- 0.29  99.671% * 97.6051% (0.98   4.48  22.70) =  99.999%  kept
          HB2   LYS+  74 - HN    TRP   27   9.79 +/- 0.55   0.191% *  0.3559% (0.80   0.02   0.02) =   0.001%
          HD3   LYS+  74 - HN    TRP   27  12.60 +/- 0.70   0.040% *  0.0778% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    TRP   27  20.54 +/- 2.52   0.003% *  0.4435% (1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    TRP   27  18.65 +/- 1.89   0.007% *  0.1236% (0.28   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    TRP   27  16.35 +/- 0.86   0.008% *  0.0880% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA   91  15.24 +/- 1.83   0.017% *  0.0440% (0.10   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    TRP   27  21.67 +/- 0.85   0.002% *  0.3397% (0.76   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    TRP   27  24.84 +/- 2.14   0.001% *  0.4435% (1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA   91  17.32 +/- 1.21   0.006% *  0.0538% (0.12   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ALA   91  14.02 +/- 1.87   0.029% *  0.0096% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    ALA   91  15.45 +/- 1.88   0.015% *  0.0109% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    TRP   27  23.52 +/- 2.37   0.001% *  0.1236% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    ALA   91  22.32 +/- 1.83   0.002% *  0.0548% (0.12   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA   91  23.54 +/- 2.25   0.001% *  0.0548% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    TRP   27  25.83 +/- 2.47   0.001% *  0.0880% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA   91  23.57 +/- 1.81   0.001% *  0.0420% (0.09   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    ALA   91  21.65 +/- 2.35   0.003% *  0.0153% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    ALA   91  22.12 +/- 1.41   0.002% *  0.0153% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA   91  23.61 +/- 1.77   0.001% *  0.0109% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1136 (0.58, 7.73, 123.24 ppm):
    16 chemical-shift based assignments, quality = 0.947, support = 3.29, residual support = 20.1:
          QD1   LEU   73 - HN    TRP   27   4.45 +/- 0.65  57.396% * 66.3591% (1.00   3.60  23.98) =  79.202%  kept
          QD2   LEU   80 - HN    TRP   27   5.55 +/- 2.58  32.423% * 30.4066% (0.76   2.15   5.37) =  20.501%  kept
          QG1   VAL   83 - HN    TRP   27   6.36 +/- 1.10   7.560% *  1.8725% (0.15   0.66   2.11) =   0.294%
          QG2   VAL   41 - HN    TRP   27   7.96 +/- 0.83   1.764% *  0.0501% (0.14   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    TRP   27  14.79 +/- 1.30   0.037% *  0.3690% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   91  11.15 +/- 1.12   0.213% *  0.0349% (0.09   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  16.14 +/- 1.80   0.034% *  0.1946% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    TRP   27  15.65 +/- 1.30   0.026% *  0.2243% (0.61   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   91   9.96 +/- 0.56   0.366% *  0.0071% (0.02   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   91  14.53 +/- 1.84   0.046% *  0.0456% (0.12   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ALA   91  14.55 +/- 1.29   0.039% *  0.0456% (0.12   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    TRP   27  20.15 +/- 1.03   0.005% *  0.2961% (0.80   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   91  15.25 +/- 1.01   0.029% *  0.0366% (0.10   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   91  16.54 +/- 1.63   0.019% *  0.0277% (0.07   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  18.84 +/- 2.68   0.020% *  0.0240% (0.07   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ALA   91  15.84 +/- 1.34   0.024% *  0.0062% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1137 (0.14, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.945, support = 0.929, residual support = 4.14:
          QG2   VAL   75 - HN    TRP   27   6.24 +/- 1.73  77.283% * 97.2649% (0.95   0.93   4.15) =  99.847%  kept
          QG2   VAL   42 - HN    TRP   27  11.62 +/- 0.83   2.900% *  2.2045% (1.00   0.02   0.02) =   0.085%
          QG2   VAL   75 - HN    ALA   91   9.62 +/- 1.96  19.317% *  0.2582% (0.12   0.02   0.02) =   0.066%
          QG2   VAL   42 - HN    ALA   91  15.27 +/- 1.44   0.500% *  0.2724% (0.12   0.02   0.02) =   0.002%
    Distance limit 4.48 A violated in 13 structures by 1.82 A, kept.
 
    Peak 1138 (4.49, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.71, residual support = 107.8:
          HA    TRP   27 - HE1   TRP   27   5.43 +/- 0.51  99.738% * 98.3474% (1.00   2.71 107.84) =  99.998%  kept
          HA    ALA   91 - HE1   TRP   27  17.42 +/- 1.07   0.122% *  0.6893% (0.95   0.02   0.02) =   0.001%
          HA    VAL  107 - HE1   TRP   27  17.42 +/- 0.92   0.118% *  0.6086% (0.84   0.02   0.02) =   0.001%
          HA    PRO   52 - HE1   TRP   27  22.63 +/- 2.02   0.023% *  0.3547% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.84 A violated in 5 structures by 0.60 A, kept.
 
    Peak 1139 (0.59, 10.20, 129.00 ppm):
    7 chemical-shift based assignments, quality = 0.866, support = 2.06, residual support = 21.8:
          QD1   LEU   73 - HE1   TRP   27   4.03 +/- 1.27  71.715% * 55.7792% (0.87   2.19  23.98) =  88.751%  kept
          QD2   LEU   80 - HE1   TRP   27   7.08 +/- 3.35  10.892% * 35.2951% (0.99   1.21   5.37) =   8.529%  kept
          QG1   VAL   83 - HE1   TRP   27   6.12 +/- 1.97  17.105% *  7.1581% (0.41   0.59   2.11) =   2.717%  kept
          QD1   LEU   63 - HE1   TRP   27  12.39 +/- 1.25   0.102% *  0.5093% (0.87   0.02   0.02) =   0.001%
          QD1   LEU  104 - HE1   TRP   27  12.74 +/- 2.42   0.093% *  0.5093% (0.87   0.02   0.02) =   0.001%
          QD2   LEU   63 - HE1   TRP   27  13.22 +/- 1.28   0.079% *  0.1632% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HE1   TRP   27  17.57 +/- 1.15   0.013% *  0.5858% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 1 structures by 0.10 A, kept.
 
    Peak 1140 (0.05, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.631, support = 1.41, residual support = 10.1:
          QD2   LEU   31 - HE1   TRP   27   3.80 +/- 1.87  64.934% * 37.6271% (0.31   1.83   9.63) =  52.765%  kept
          QG2   VAL   43 - HE1   TRP   27   4.59 +/- 0.73  35.066% * 62.3729% (0.99   0.95  10.54) =  47.235%  kept
    Distance limit 3.87 A violated in 2 structures by 0.32 A, kept.
 
    Peak 1141 (2.19, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.53, residual support = 28.9:
          HB2   GLU-  25 - HN    THR   26   2.71 +/- 0.17  98.102% * 98.9459% (0.90   5.53  28.88) =  99.998%  kept
          HG3   GLU-  29 - HN    THR   26   5.40 +/- 0.47   1.888% *  0.0790% (0.20   0.02   1.40) =   0.002%
          QG    GLN   17 - HN    THR   26  15.15 +/- 1.38   0.004% *  0.3197% (0.80   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    THR   26  14.85 +/- 1.08   0.005% *  0.1232% (0.31   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    THR   26  18.42 +/- 0.82   0.001% *  0.2899% (0.73   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    THR   26  20.38 +/- 0.34   0.001% *  0.2422% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1142 (2.02, 8.12, 116.43 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 5.26, residual support = 28.9:
          HB3   GLU-  25 - HN    THR   26   3.34 +/- 0.17  97.000% * 95.5021% (0.57   5.26  28.88) =  99.986%  kept
          HG3   GLN   30 - HN    THR   26   7.03 +/- 0.73   1.583% *  0.5356% (0.84   0.02   4.97) =   0.009%
          HB2   GLN   30 - HN    THR   26   7.36 +/- 0.97   1.293% *  0.3373% (0.53   0.02   4.97) =   0.005%
          HB    ILE   19 - HN    THR   26  10.76 +/- 0.76   0.104% *  0.1269% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR   26  16.87 +/- 1.11   0.007% *  0.4900% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR   26  16.72 +/- 0.62   0.007% *  0.4900% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    THR   26  22.95 +/- 1.51   0.001% *  0.6398% (1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   26  21.21 +/- 1.62   0.002% *  0.3889% (0.61   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    THR   26  22.76 +/- 1.76   0.001% *  0.1979% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    THR   26  28.34 +/- 2.62   0.000% *  0.5356% (0.84   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   26  26.88 +/- 1.23   0.000% *  0.3373% (0.53   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    THR   26  24.33 +/- 1.74   0.001% *  0.1599% (0.25   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    THR   26  25.36 +/- 2.90   0.001% *  0.1599% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    THR   26  23.37 +/- 1.13   0.001% *  0.0989% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1143 (1.50, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 4.46, residual support = 35.4:
          QG2   THR   26 - HN    THR   26   3.59 +/- 0.08  99.839% * 98.0838% (0.95   4.46  35.45) =  99.999%  kept
          HB2   LYS+  74 - HN    THR   26  10.85 +/- 0.63   0.149% *  0.4611% (0.99   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    THR   26  18.55 +/- 0.80   0.006% *  0.2086% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    THR   26  21.95 +/- 2.62   0.003% *  0.4172% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   26  23.27 +/- 0.92   0.001% *  0.2086% (0.45   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   26  27.11 +/- 2.13   0.001% *  0.3886% (0.84   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   26  25.11 +/- 1.56   0.001% *  0.1160% (0.25   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   26  25.03 +/- 1.18   0.001% *  0.1160% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1144 (1.32, 8.12, 116.43 ppm):
    10 chemical-shift based assignments, quality = 0.588, support = 0.0198, residual support = 0.0198:
          HB3   LEU   80 - HN    THR   26   9.11 +/- 1.72  49.869% *  8.4695% (0.53   0.02   0.02) =  45.879%  kept
          HB2   LEU   31 - HN    THR   26   9.41 +/- 0.40  33.900% * 11.0578% (0.69   0.02   0.02) =  40.719%  kept
          QG2   THR   77 - HN    THR   26  12.23 +/- 1.33   7.758% *  7.8357% (0.49   0.02   0.02) =   6.603%  kept
          HB3   ASP-  44 - HN    THR   26  14.11 +/- 1.95   5.888% *  4.9686% (0.31   0.02   0.02) =   3.178%  kept
          QB    ALA   88 - HN    THR   26  16.16 +/- 1.16   1.408% * 13.9639% (0.87   0.02   0.02) =   2.136%  kept
          HG2   LYS+  38 - HN    THR   26  19.98 +/- 0.35   0.361% * 16.0623% (1.00   0.02   0.02) =   0.630%  kept
          HG2   LYS+  99 - HN    THR   26  20.97 +/- 0.76   0.280% * 15.5357% (0.97   0.02   0.02) =   0.473%
          HB2   LEU   63 - HN    THR   26  20.09 +/- 1.45   0.387% *  6.6181% (0.41   0.02   0.02) =   0.278%
          HG2   LYS+ 111 - HN    THR   26  28.81 +/- 2.60   0.053% * 12.3026% (0.76   0.02   0.02) =   0.071%
          QB    ALA  124 - HN    THR   26  25.79 +/- 3.01   0.095% *  3.1858% (0.20   0.02   0.02) =   0.033%
    Distance limit 4.54 A violated in 20 structures by 3.24 A, eliminated.
    Peak unassigned.
 
    Peak 1145 (3.76, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.66, residual support = 35.0:
      O   HA    VAL   24 - HN    GLU-  25   3.58 +/- 0.02  99.993% * 99.8455% (0.92  10.0   5.66  34.99) = 100.000%  kept
          HA    LYS+  38 - HN    GLU-  25  19.78 +/- 0.32   0.004% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    GLU-  25  21.16 +/- 1.98   0.003% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    GLU-  25  23.85 +/- 1.15   0.001% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1146 (2.18, 8.78, 120.28 ppm):
    7 chemical-shift based assignments, quality = 0.607, support = 6.05, residual support = 127.5:
      O   HB2   GLU-  25 - HN    GLU-  25   2.80 +/- 0.42  99.273% * 99.5608% (0.61  10.0   6.05 127.47) = 100.000%  kept
          HG3   GLU-  29 - HN    GLU-  25   6.99 +/- 0.65   0.558% *  0.0736% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    GLU-  25   8.85 +/- 0.63   0.164% *  0.0253% (0.15   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    GLU-  25  17.24 +/- 1.26   0.003% *  0.0799% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  25  22.14 +/- 0.27   0.001% *  0.1472% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  25  18.70 +/- 1.16   0.002% *  0.0456% (0.28   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    GLU-  25  20.29 +/- 0.73   0.001% *  0.0675% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1147 (2.02, 8.78, 120.28 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 5.87, residual support = 127.5:
      O   HB3   GLU-  25 - HN    GLU-  25   2.56 +/- 0.69  99.779% * 98.7761% (0.57  10.0   5.87 127.47) = 100.000%  kept
          HB2   GLN   30 - HN    GLU-  25   9.47 +/- 0.95   0.123% *  0.0918% (0.53   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLU-  25   9.58 +/- 0.67   0.074% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU-  25  13.08 +/- 0.71   0.018% *  0.0345% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU-  25  18.87 +/- 0.56   0.002% *  0.1333% (0.76   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU-  25  19.18 +/- 1.08   0.002% *  0.1333% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLU-  25  22.27 +/- 1.65   0.001% *  0.1058% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU-  25  25.11 +/- 1.36   0.000% *  0.1741% (1.00   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  25  22.21 +/- 2.00   0.001% *  0.0538% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLU-  25  28.21 +/- 2.76   0.000% *  0.1457% (0.84   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  25  24.30 +/- 1.92   0.000% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLU-  25  27.75 +/- 1.32   0.000% *  0.0918% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  25  25.48 +/- 2.85   0.000% *  0.0435% (0.25   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  25  25.43 +/- 1.08   0.000% *  0.0269% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1148 (1.29, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 3.27, residual support = 6.37:
          QG2   THR   23 - HN    GLU-  25   3.08 +/- 1.17  99.707% * 98.6160% (0.73   3.27   6.37) =  99.999%  kept
          QG2   THR   77 - HN    GLU-  25  11.36 +/- 1.58   0.161% *  0.6035% (0.73   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    GLU-  25  12.12 +/- 0.33   0.086% *  0.3119% (0.38   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLU-  25  14.44 +/- 1.12   0.039% *  0.2835% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU-  25  18.63 +/- 2.12   0.008% *  0.1850% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1149 (1.07, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.82, residual support = 35.0:
          QG2   VAL   24 - HN    GLU-  25   2.76 +/- 0.62  99.997% * 99.2777% (0.97   4.82  34.99) = 100.000%  kept
          QG1   VAL  107 - HN    GLU-  25  19.91 +/- 1.38   0.002% *  0.1603% (0.38   0.02   0.02) =   0.000%
          HG    LEU   63 - HN    GLU-  25  22.15 +/- 1.62   0.001% *  0.3705% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    GLU-  25  28.57 +/- 3.13   0.000% *  0.1915% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1150 (2.52, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.28, residual support = 127.5:
          HG2   GLU-  25 - HN    GLU-  25   3.74 +/- 0.38  99.932% * 99.4319% (0.97   5.28 127.47) = 100.000%  kept
          HB3   TRP   87 - HN    GLU-  25  13.99 +/- 1.86   0.059% *  0.1204% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   95 - HN    GLU-  25  18.86 +/- 1.28   0.008% *  0.1899% (0.49   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    GLU-  25  29.80 +/- 1.33   0.000% *  0.1604% (0.41   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  25  30.95 +/- 1.56   0.000% *  0.0973% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.54 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 = 4.72, residual support = 66.7:
      O   HA    VAL   24 - HN    VAL   24   2.77 +/- 0.04  99.998% * 99.8455% (0.92  10.0   4.72  66.65) = 100.000%  kept
          HA    ALA   61 - HN    VAL   24  19.55 +/- 2.07   0.001% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    VAL   24  20.22 +/- 0.60   0.001% *  0.0445% (0.41   1.0   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   24  23.08 +/- 1.27   0.000% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1152 (2.12, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 4.75, residual support = 66.7:
      O   HB    VAL   24 - HN    VAL   24   2.11 +/- 0.20  99.856% * 99.7135% (0.95  10.0   4.75  66.65) = 100.000%  kept
          HB3   GLU-  79 - HN    VAL   24   7.45 +/- 1.94   0.141% *  0.0163% (0.15   1.0   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    VAL   24  12.04 +/- 0.42   0.003% *  0.0945% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    VAL   24  22.12 +/- 1.35   0.000% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    VAL   24  24.47 +/- 1.36   0.000% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1153 (1.29, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.55, residual support = 26.4:
          QG2   THR   23 - HN    VAL   24   3.22 +/- 0.92  99.164% * 99.1797% (0.73   5.55  26.37) =  99.997%  kept
          QG2   THR   77 - HN    VAL   24   9.21 +/- 1.65   0.668% *  0.3577% (0.73   0.02   0.02) =   0.002%
          QB    ALA   88 - HN    VAL   24  12.84 +/- 1.19   0.079% *  0.1680% (0.34   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    VAL   24  12.40 +/- 0.52   0.072% *  0.1849% (0.38   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    VAL   24  16.69 +/- 2.33   0.017% *  0.1097% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1154 (1.10, 9.21, 123.27 ppm):
    6 chemical-shift based assignments, quality = 0.78, support = 4.28, residual support = 66.7:
          QG1   VAL   24 - HN    VAL   24   2.92 +/- 0.56  58.667% * 77.1673% (0.90   4.09  66.65) =  83.341%  kept
          QG2   VAL   24 - HN    VAL   24   3.28 +/- 0.31  41.320% * 21.9007% (0.20   5.25  66.65) =  16.659%  kept
          HB3   LEU   31 - HN    VAL   24  12.17 +/- 0.46   0.012% *  0.0938% (0.22   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    VAL   24  18.24 +/- 1.58   0.001% *  0.4175% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL   24  27.09 +/- 3.08   0.000% *  0.3373% (0.80   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    VAL   24  23.91 +/- 1.73   0.000% *  0.0834% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1155 (0.58, 9.21, 123.27 ppm):
    8 chemical-shift based assignments, quality = 0.748, support = 2.91, residual support = 8.59:
          QD2   LEU   80 - HN    VAL   24   3.13 +/- 2.72  78.109% * 87.0503% (0.76   2.95   8.79) =  97.356%  kept
          QG1   VAL   83 - HN    VAL   24   4.31 +/- 1.15  18.583% *  9.8102% (0.15   1.65   1.19) =   2.610%  kept
          QD1   LEU   73 - HN    VAL   24   7.18 +/- 0.89   2.983% *  0.7707% (1.00   0.02   0.02) =   0.033%
          QD1   LEU   63 - HN    VAL   24  15.91 +/- 1.65   0.042% *  0.7707% (1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    VAL   24  10.45 +/- 1.13   0.241% *  0.1045% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    VAL   24  17.18 +/- 1.40   0.028% *  0.4685% (0.61   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   24  20.50 +/- 1.30   0.007% *  0.6185% (0.80   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    VAL   24  18.12 +/- 2.26   0.007% *  0.4064% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 1 structures by 0.17 A, kept.
 
    Peak 1156 (3.49, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 5.11, residual support = 21.1:
          HB2   HIS   22 - HN    THR   23   4.49 +/- 0.04  99.976% * 99.6184% (0.99   5.11  21.10) = 100.000%  kept
          HA    LEU   63 - HN    THR   23  19.84 +/- 1.10   0.014% *  0.3284% (0.84   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    THR   23  21.52 +/- 2.03   0.010% *  0.0532% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1157 (3.23, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.71, residual support = 21.1:
          HB3   HIS   22 - HN    THR   23   4.43 +/- 0.13  99.948% * 99.7216% (0.76   5.71  21.10) = 100.000%  kept
          HD3   ARG+  54 - HN    THR   23  21.22 +/- 3.85   0.023% *  0.1879% (0.41   0.02   0.02) =   0.000%
          HB2   PHE   95 - HN    THR   23  17.45 +/- 1.04   0.029% *  0.0905% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1158 (2.58, 7.33, 104.59 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.19, residual support = 4.35:
          HB3   CYS   21 - HN    THR   23   4.43 +/- 0.39 100.000% *100.0000% (1.00   2.19   4.35) = 100.000%  kept
    Distance limit 4.46 A violated in 1 structures by 0.11 A, kept.
 
    Peak 1159 (1.49, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.725, support = 1.91, residual support = 13.0:
          QG2   THR   26 - HN    THR   23   4.62 +/- 0.17  92.080% * 94.4378% (0.73   1.91  13.05) =  99.883%  kept
          HB2   LYS+  74 - HN    THR   23   7.37 +/- 0.81   7.849% *  1.2892% (0.95   0.02   0.02) =   0.116%
          HB3   LEU   40 - HN    THR   23  18.87 +/- 0.96   0.021% *  0.9896% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    THR   23  19.36 +/- 2.72   0.023% *  0.8816% (0.65   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   23  22.49 +/- 1.64   0.008% *  0.6634% (0.49   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   23  23.63 +/- 1.04   0.005% *  0.6634% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   23  21.61 +/- 1.10   0.009% *  0.3034% (0.22   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   23  25.85 +/- 1.91   0.003% *  0.7716% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.25 A, kept.
 
    Peak 1160 (1.30, 7.33, 104.59 ppm):
    6 chemical-shift based assignments, quality = 0.411, support = 4.74, residual support = 19.0:
          QG2   THR   23 - HN    THR   23   3.11 +/- 0.63  99.714% * 97.6970% (0.41   4.74  19.04) =  99.998%  kept
          QG2   THR   77 - HN    THR   23   9.69 +/- 1.26   0.229% *  0.9673% (0.97   0.02   0.02) =   0.002%
          QB    ALA   88 - HN    THR   23  15.33 +/- 1.44   0.013% *  0.6484% (0.65   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    THR   23  12.32 +/- 0.46   0.042% *  0.1547% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   23  22.24 +/- 0.49   0.001% *  0.3094% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   23  22.02 +/- 0.72   0.001% *  0.2232% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1161 (0.57, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.308, support = 2.04, residual support = 5.62:
          QD2   LEU   80 - HN    THR   23   4.22 +/- 1.96  55.387% * 42.4896% (0.20   2.57   5.63) =  55.843%  kept
          QD1   LEU   80 - HN    THR   23   4.78 +/- 2.16  35.715% * 51.8824% (0.45   1.38   5.63) =  43.969%  kept
          QD1   LEU   73 - HN    THR   23   6.63 +/- 0.74   8.256% *  0.8792% (0.53   0.02   0.02) =   0.172%
          QG2   VAL   41 - HN    THR   23  10.70 +/- 0.81   0.382% *  1.0810% (0.65   0.02   0.02) =   0.010%
          QD2   LEU   63 - HN    THR   23  15.96 +/- 1.20   0.069% *  1.6674% (1.00   0.02   0.02) =   0.003%
          QD1   LEU   63 - HN    THR   23  14.80 +/- 1.41   0.096% *  0.8792% (0.53   0.02   0.02) =   0.002%
          QD2   LEU   98 - HN    THR   23  13.02 +/- 1.47   0.080% *  0.7492% (0.45   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    THR   23  19.52 +/- 1.10   0.016% *  0.3720% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 1 structures by 0.42 A, kept.
 
    Peak 1162 (3.23, 9.10, 120.75 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.46, residual support = 34.7:
      O   HB3   HIS   22 - HN    HIS   22   3.22 +/- 0.41  99.998% * 99.9260% (0.98  10.0   3.46  34.66) = 100.000%  kept
          HD3   ARG+  54 - HN    HIS   22  22.55 +/- 3.87   0.002% *  0.0740% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1163 (1.62, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.262, support = 6.58, residual support = 169.4:
          HG3   ARG+  54 - HN    ARG+  54   3.73 +/- 0.40  75.131% * 95.0576% (0.26   6.60 169.81) =  99.769%  kept
          QB    ALA   57 - HN    ARG+  54   5.19 +/- 1.13  19.908% *  0.7920% (0.72   0.02   0.02) =   0.220%
          QB    ALA   57 - HN    ASP-  62   6.26 +/- 0.61   4.503% *  0.1482% (0.14   0.02   0.02) =   0.009%
          HD2   LYS+  74 - HN    ARG+  54  12.86 +/- 2.43   0.107% *  0.4646% (0.42   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HN    ARG+  54  14.66 +/- 2.25   0.032% *  0.8298% (0.76   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ASP-  62  10.86 +/- 2.16   0.201% *  0.0869% (0.08   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ASP-  62  12.80 +/- 1.52   0.058% *  0.1901% (0.17   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ARG+  54  22.71 +/- 1.88   0.003% *  1.0158% (0.93   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HN    ASP-  62  13.71 +/- 1.39   0.043% *  0.0539% (0.05   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ASP-  62  17.47 +/- 0.98   0.008% *  0.1553% (0.14   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ASP-  62  19.49 +/- 1.69   0.005% *  0.1901% (0.17   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ARG+  54  25.40 +/- 2.07   0.001% *  1.0158% (0.93   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 3.38, residual support = 28.9:
      O   HB2   CYS   21 - HN    CYS   21   2.63 +/- 0.38  99.960% * 99.8975% (0.90  10.0   3.38  28.87) = 100.000%  kept
          HB2   PHE   45 - HN    CYS   21  12.00 +/- 1.23   0.014% *  0.0195% (0.18   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    ILE  119  11.33 +/- 1.26   0.022% *  0.0109% (0.10   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    CYS   21  23.12 +/- 2.11   0.001% *  0.0344% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    ILE  119  16.14 +/- 1.61   0.003% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   CYS   21 - HN    ILE  119  21.99 +/- 1.93   0.000% *  0.0316% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1166 (2.60, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 3.38, residual support = 28.9:
      O   HB3   CYS   21 - HN    CYS   21   3.49 +/- 0.31  99.944% * 99.8170% (0.53  10.0   3.38  28.87) = 100.000%  kept
          HG2   MET   96 - HN    CYS   21  15.02 +/- 1.33   0.020% *  0.1151% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   MET   96 - HN    ILE  119  13.70 +/- 1.01   0.034% *  0.0364% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   CYS   21 - HN    ILE  119  23.04 +/- 1.73   0.001% *  0.0315% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1167 (1.84, 7.93, 121.01 ppm):
    26 chemical-shift based assignments, quality = 0.287, support = 0.0193, residual support = 0.0193:
          HG    LEU  123 - HN    ILE  119   7.28 +/- 0.96  37.839% *  3.5886% (0.32   0.02   0.02) =  54.403%  kept
          HB3   ASP- 105 - HN    ILE  119   7.44 +/- 1.20  35.386% *  1.1101% (0.10   0.02   0.02) =  15.738%  kept
          QB    LYS+  66 - HN    ILE  119   8.85 +/- 2.05  15.181% *  2.1815% (0.19   0.02   0.02) =  13.268%  kept
          HB    VAL   41 - HN    CYS   21  12.41 +/- 1.35   1.766% *  9.1141% (0.80   0.02   0.02) =   6.447%  kept
          QB    LYS+  33 - HN    CYS   21  10.91 +/- 0.53   3.012% *  2.5341% (0.22   0.02   0.02) =   3.058%  kept
          HG12  ILE  103 - HN    CYS   21  17.49 +/- 1.80   0.207% * 10.5070% (0.92   0.02   0.02) =   0.870%  kept
          QB    LYS+  66 - HN    CYS   21  16.26 +/- 0.80   0.274% *  6.9036% (0.61   0.02   0.02) =   0.757%  kept
          HG2   PRO   93 - HN    ILE  119  13.17 +/- 2.04   1.475% *  1.2268% (0.11   0.02   0.02) =   0.725%  kept
          HB3   PRO   52 - HN    ILE  119  15.70 +/- 1.77   0.503% *  3.5886% (0.32   0.02   0.02) =   0.723%  kept
          HG3   PRO   68 - HN    ILE  119  14.47 +/- 2.59   1.184% *  1.4786% (0.13   0.02   0.02) =   0.701%  kept
          HG2   ARG+  54 - HN    CYS   21  18.78 +/- 3.19   0.274% *  3.8825% (0.34   0.02   0.02) =   0.426%
          HG2   PRO   93 - HN    CYS   21  17.07 +/- 1.95   0.273% *  3.8825% (0.34   0.02   0.02) =   0.424%
          HG12  ILE  103 - HN    ILE  119  15.82 +/- 1.15   0.314% *  3.3201% (0.29   0.02   0.02) =   0.417%
          HG2   ARG+  54 - HN    ILE  119  17.25 +/- 2.18   0.732% *  1.2268% (0.11   0.02   0.02) =   0.360%
          HB    VAL   41 - HN    ILE  119  16.78 +/- 1.53   0.246% *  2.8799% (0.25   0.02   0.02) =   0.284%
          HB3   PRO   52 - HN    CYS   21  20.97 +/- 1.55   0.062% * 11.3569% (1.00   0.02   0.02) =   0.282%
          HG3   PRO   68 - HN    CYS   21  18.34 +/- 1.17   0.141% *  4.6793% (0.41   0.02   0.02) =   0.264%
          HB    ILE  103 - HN    ILE  119  15.59 +/- 1.05   0.341% *  1.3499% (0.12   0.02   0.02) =   0.184%
          HB3   ASP- 105 - HN    CYS   21  19.36 +/- 1.48   0.112% *  3.5131% (0.31   0.02   0.02) =   0.158%
          HB    ILE  103 - HN    CYS   21  19.84 +/- 1.63   0.090% *  4.2718% (0.38   0.02   0.02) =   0.154%
          HG    LEU  123 - HN    CYS   21  24.59 +/- 1.71   0.023% * 11.3569% (1.00   0.02   0.02) =   0.105%
          QB    LYS+ 102 - HN    CYS   21  19.43 +/- 1.25   0.098% *  1.9934% (0.18   0.02   0.02) =   0.079%
          QB    LYS+ 102 - HN    ILE  119  16.15 +/- 1.39   0.303% *  0.6299% (0.06   0.02   0.02) =   0.077%
          HB3   GLN   90 - HN    CYS   21  19.58 +/- 1.61   0.092% *  1.9934% (0.18   0.02   0.02) =   0.074%
          QB    LYS+  33 - HN    ILE  119  22.29 +/- 1.51   0.042% *  0.8007% (0.07   0.02   0.02) =   0.013%
          HB3   GLN   90 - HN    ILE  119  23.49 +/- 1.05   0.030% *  0.6299% (0.06   0.02   0.02) =   0.007%
    Distance limit 3.60 A violated in 20 structures by 2.41 A, eliminated.
    Peak unassigned.
 
    Peak 1168 (1.13, 7.93, 121.01 ppm):
    14 chemical-shift based assignments, quality = 0.58, support = 5.18, residual support = 122.9:
          QB    ALA   20 - HN    CYS   21   3.61 +/- 0.03  44.643% * 57.1879% (0.80   3.73  15.21) =  54.962%  kept
          HG13  ILE  119 - HN    ILE  119   3.54 +/- 0.40  50.807% * 41.1727% (0.31   6.95 254.29) =  45.034%  kept
          QG2   VAL  107 - HN    ILE  119   5.72 +/- 0.46   3.007% *  0.0269% (0.07   0.02   0.02) =   0.002%
          QG1   VAL   24 - HN    CYS   21   7.84 +/- 0.41   0.468% *  0.1181% (0.31   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    ILE  119   7.05 +/- 0.41   0.890% *  0.0497% (0.13   0.02   2.06) =   0.001%
          HB3   LEU   31 - HN    CYS   21  12.42 +/- 0.64   0.028% *  0.3693% (0.97   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ILE  119  10.19 +/- 1.43   0.141% *  0.0497% (0.13   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  19.59 +/- 1.42   0.002% *  0.3751% (0.98   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    CYS   21  15.59 +/- 1.21   0.008% *  0.0852% (0.22   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  18.87 +/- 1.19   0.002% *  0.0968% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  23.89 +/- 3.46   0.001% *  0.1573% (0.41   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  22.38 +/- 1.27   0.001% *  0.1167% (0.30   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  23.87 +/- 2.30   0.001% *  0.1573% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  20.20 +/- 1.53   0.002% *  0.0373% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1169 (0.76, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.538, support = 2.04, residual support = 7.92:
          QD2   LEU   73 - HN    CYS   21   4.46 +/- 0.83  63.688% * 73.6579% (0.57   2.12   8.58) =  92.151%  kept
          QD1   ILE   19 - HN    CYS   21   5.51 +/- 0.71  22.074% * 17.0084% (0.22   1.24   0.21) =   7.375%  kept
          QG2   VAL   18 - HN    CYS   21   6.96 +/- 0.96   6.025% *  3.2611% (0.65   0.08   0.02) =   0.386%
          QG1   VAL   43 - HN    CYS   21   8.26 +/- 1.29   1.932% *  1.0665% (0.87   0.02   0.02) =   0.040%
          QG2   THR   46 - HN    CYS   21   8.72 +/- 1.67   1.435% *  0.6468% (0.53   0.02   0.02) =   0.018%
          QG1   VAL   41 - HN    CYS   21  11.08 +/- 1.32   0.409% *  1.2051% (0.98   0.02   0.02) =   0.010%
          HG    LEU   31 - HN    CYS   21  10.22 +/- 0.85   0.496% *  0.8928% (0.73   0.02   0.02) =   0.009%
          QD1   ILE   56 - HN    ILE  119   7.54 +/- 1.07   3.497% *  0.1199% (0.10   0.02   0.02) =   0.008%
          QG1   VAL   43 - HN    ILE  119  13.25 +/- 1.05   0.107% *  0.3370% (0.27   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    ILE  119  13.22 +/- 1.54   0.113% *  0.2513% (0.20   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    CYS   21  15.36 +/- 2.09   0.063% *  0.3795% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    ILE  119  15.00 +/- 1.15   0.047% *  0.3808% (0.31   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    ILE  119  15.07 +/- 1.40   0.052% *  0.2044% (0.17   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    ILE  119  15.20 +/- 0.75   0.040% *  0.2199% (0.18   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    ILE  119  18.00 +/- 1.54   0.018% *  0.0865% (0.07   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    ILE  119  21.82 +/- 1.20   0.005% *  0.2821% (0.23   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1170 (0.57, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.394, support = 4.68, residual support = 8.88:
          QD1   LEU   73 - HN    CYS   21   4.92 +/- 0.73  16.293% * 86.1934% (0.53   4.80   8.58) =  70.964%  kept
          QD2   LEU  115 - HN    ILE  119   3.90 +/- 0.41  53.633% * 10.6106% (0.07   4.42   9.71) =  28.757%  kept
          QD2   LEU   63 - HN    ILE  119   5.93 +/- 2.00  11.087% *  0.2150% (0.32   0.02   0.02) =   0.120%
          QD2   LEU   80 - HN    CYS   21   6.38 +/- 1.97   7.788% *  0.1350% (0.20   0.02   0.02) =   0.053%
          QD1   LEU   80 - HN    CYS   21   7.28 +/- 2.12   3.266% *  0.3058% (0.45   0.02   0.02) =   0.050%
          QD1   LEU   63 - HN    ILE  119   5.92 +/- 1.49   7.250% *  0.1134% (0.17   0.02   0.02) =   0.042%
          QG2   VAL   41 - HN    CYS   21   8.98 +/- 1.01   0.427% *  0.4412% (0.65   0.02   0.02) =   0.010%
          QD2   LEU   63 - HN    CYS   21  13.12 +/- 1.25   0.044% *  0.6805% (1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    CYS   21  11.70 +/- 1.43   0.083% *  0.3058% (0.45   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    CYS   21  12.21 +/- 1.34   0.065% *  0.3588% (0.53   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    ILE  119  14.07 +/- 1.19   0.025% *  0.0966% (0.14   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ILE  119  15.00 +/- 1.04   0.017% *  0.1394% (0.20   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ILE  119  16.15 +/- 1.11   0.010% *  0.1134% (0.17   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    CYS   21  17.33 +/- 1.12   0.007% *  0.1518% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ILE  119  20.64 +/- 2.06   0.003% *  0.0966% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ILE  119  19.82 +/- 1.73   0.003% *  0.0426% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1172 (8.16, 7.92, 121.27 ppm):
    10 chemical-shift based assignments, quality = 0.285, support = 5.56, residual support = 33.9:
          HN    THR  118 - HN    ILE  119   2.55 +/- 0.12  96.820% * 50.8253% (0.28   5.64  34.40) =  97.217%  kept
          HN    GLN  116 - HN    ILE  119   4.58 +/- 0.11   2.977% * 47.2801% (0.53   2.77  14.80) =   2.781%  kept
          HN    GLU- 114 - HN    ILE  119   7.69 +/- 0.36   0.143% *  0.6134% (0.95   0.02   0.02) =   0.002%
          HN    PHE   60 - HN    ILE  119   9.32 +/- 0.61   0.045% *  0.0878% (0.14   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    CYS   21  11.85 +/- 0.68   0.010% *  0.1938% (0.30   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ILE  119  15.73 +/- 1.60   0.002% *  0.6134% (0.95   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    CYS   21  15.08 +/- 1.40   0.003% *  0.0277% (0.04   0.02   0.02) =   0.000%
          HN    GLU- 114 - HN    CYS   21  24.30 +/- 1.98   0.000% *  0.1938% (0.30   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    CYS   21  22.90 +/- 1.47   0.000% *  0.1078% (0.17   0.02   0.02) =   0.000%
          HN    THR  118 - HN    CYS   21  22.13 +/- 1.63   0.000% *  0.0570% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1173 (7.23, 7.92, 121.27 ppm):
    8 chemical-shift based assignments, quality = 0.493, support = 2.61, residual support = 18.3:
          QE    PHE   59 - HN    ILE  119   3.71 +/- 0.69  83.539% * 24.1426% (0.22   2.98  20.77) =  64.946%  kept
          HN    HIS  122 - HN    ILE  119   5.15 +/- 0.09  15.374% * 70.5484% (1.00   1.94  13.80) =  34.927%  kept
          HN    PHE   59 - HN    ILE  119   8.46 +/- 1.12   0.999% *  3.9423% (0.57   0.19  20.77) =   0.127%
          HH2   TRP   87 - HN    CYS   21  14.01 +/- 1.93   0.048% *  0.2295% (0.32   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE  119  20.61 +/- 2.86   0.006% *  0.7263% (1.00   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    CYS   21  17.63 +/- 1.40   0.009% *  0.1302% (0.18   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    CYS   21  15.45 +/- 1.98   0.021% *  0.0512% (0.07   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    CYS   21  21.43 +/- 1.86   0.003% *  0.2295% (0.32   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1174 (8.71, 7.93, 121.01 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.17, residual support = 15.2:
          HN    ALA   20 - HN    CYS   21   4.16 +/- 0.12  99.995% * 99.8013% (0.95   3.17  15.21) = 100.000%  kept
          HN    ALA   20 - HN    ILE  119  21.84 +/- 1.17   0.005% *  0.1987% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1175 (7.42, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.52, residual support = 54.9:
        T HN    ALA  120 - HN    ILE  119   2.64 +/- 0.11  98.212% * 99.4047% (1.00 10.00   5.52  54.93) =  99.999%  kept
          HE21  GLN  116 - HN    ILE  119   5.70 +/- 0.83   1.707% *  0.0796% (0.80  1.00   0.02  14.80) =   0.001%
          HN    ALA   57 - HN    ILE  119  11.68 +/- 1.20   0.018% *  0.0722% (0.73  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    ILE  119  10.77 +/- 0.20   0.022% *  0.0248% (0.25  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    CYS   21  10.87 +/- 1.98   0.039% *  0.0055% (0.06  1.00   0.02   0.02) =   0.000%
        T HN    ALA  120 - HN    CYS   21  23.03 +/- 1.32   0.000% *  0.3141% (0.32 10.00   0.02   0.02) =   0.000%
          HN    ALA   57 - HN    CYS   21  17.68 +/- 1.30   0.001% *  0.0228% (0.23  1.00   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    ILE  119  21.40 +/- 1.57   0.000% *  0.0174% (0.18  1.00   0.02   0.02) =   0.000%
          HE21  GLN  116 - HN    CYS   21  24.01 +/- 2.15   0.000% *  0.0252% (0.25  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    CYS   21  20.05 +/- 2.47   0.001% *  0.0062% (0.06  1.00   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE  119  25.34 +/- 1.81   0.000% *  0.0197% (0.20  1.00   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    CYS   21  24.70 +/- 2.90   0.000% *  0.0078% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1176 (3.87, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.29, residual support = 34.4:
          HB    THR  118 - HN    ILE  119   3.20 +/- 0.16  99.882% * 98.0436% (0.98   5.29  34.40) = 100.000%  kept
          QB    SER   13 - HN    CYS   21  14.11 +/- 2.37   0.043% *  0.0868% (0.23   0.02   0.02) =   0.000%
          HB    THR   39 - HN    CYS   21  13.43 +/- 1.08   0.021% *  0.0913% (0.24   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    CYS   21  13.28 +/- 1.45   0.030% *  0.0491% (0.13   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    CYS   21  15.45 +/- 0.90   0.009% *  0.1072% (0.28   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    CYS   21  16.83 +/- 2.54   0.007% *  0.1072% (0.28   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE  119  19.76 +/- 1.70   0.002% *  0.2891% (0.76   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    ILE  119  20.40 +/- 1.04   0.002% *  0.3392% (0.90   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE  119  23.56 +/- 1.80   0.001% *  0.3392% (0.90   0.02   0.02) =   0.000%
          HB    THR  118 - HN    CYS   21  20.23 +/- 1.72   0.002% *  0.1172% (0.31   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE  119  23.83 +/- 1.47   0.001% *  0.2747% (0.73   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ILE  119  27.35 +/- 1.92   0.000% *  0.1555% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1178 (2.26, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.897, support = 7.65, residual support = 254.3:
          HG12  ILE  119 - HN    ILE  119   2.59 +/- 0.20  99.145% * 97.6740% (0.90   7.65 254.29) =  99.999%  kept
          HB2   ASP- 105 - HN    ILE  119   7.00 +/- 1.16   0.413% *  0.0385% (0.14   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    CYS   21   8.50 +/- 1.32   0.192% *  0.0807% (0.28   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    CYS   21   8.07 +/- 0.86   0.142% *  0.0869% (0.30   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    CYS   21   9.45 +/- 0.47   0.049% *  0.0473% (0.17   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   21  11.12 +/- 1.38   0.023% *  0.0831% (0.29   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ILE  119  13.86 +/- 1.13   0.005% *  0.2554% (0.90   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ILE  119  14.66 +/- 1.07   0.004% *  0.2749% (0.97   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   21  12.25 +/- 1.22   0.012% *  0.0721% (0.25   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ILE  119  16.56 +/- 2.02   0.002% *  0.1171% (0.41   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ILE  119  18.50 +/- 1.88   0.001% *  0.2281% (0.80   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   21  17.71 +/- 3.58   0.007% *  0.0307% (0.11   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   21  16.57 +/- 1.99   0.002% *  0.0892% (0.31   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ILE  119  21.61 +/- 1.50   0.000% *  0.2629% (0.92   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ILE  119  21.44 +/- 0.97   0.000% *  0.2823% (0.99   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    CYS   21  19.56 +/- 1.32   0.001% *  0.0807% (0.28   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    CYS   21  19.95 +/- 1.11   0.001% *  0.0370% (0.13   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ILE  119  27.44 +/- 1.19   0.000% *  0.1498% (0.53   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ILE  119  28.90 +/- 1.90   0.000% *  0.0972% (0.34   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    CYS   21  20.01 +/- 1.38   0.001% *  0.0122% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 7.53, residual support = 254.3:
      O   HB    ILE  119 - HN    ILE  119   2.23 +/- 0.09  99.712% * 99.0354% (0.92  10.0   7.53 254.29) = 100.000%  kept
          HG3   GLN   30 - HN    CYS   21   7.29 +/- 0.84   0.128% *  0.0336% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    CYS   21   7.33 +/- 0.71   0.097% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE  119   9.97 +/- 1.58   0.018% *  0.0441% (0.41   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ILE  119  11.78 +/- 0.67   0.005% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ILE  119  13.60 +/- 2.04   0.004% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE  119  15.45 +/- 2.36   0.002% *  0.0779% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    CYS   21  10.52 +/- 0.42   0.009% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    CYS   21   9.63 +/- 0.26   0.016% *  0.0067% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ILE  119  16.75 +/- 1.95   0.001% *  0.0694% (0.65   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    CYS   21  12.64 +/- 0.69   0.003% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    CYS   21  14.70 +/- 1.80   0.002% *  0.0116% (0.11   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ILE  119  21.11 +/- 1.52   0.000% *  0.1035% (0.97   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE  119  18.50 +/- 1.48   0.000% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ILE  119  22.01 +/- 1.48   0.000% *  0.0990% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    CYS   21  17.98 +/- 1.74   0.000% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ILE  119  19.06 +/- 1.35   0.000% *  0.0366% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    CYS   21  20.21 +/- 3.14   0.000% *  0.0219% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ILE  119  23.65 +/- 1.49   0.000% *  0.1063% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    CYS   21  20.91 +/- 1.62   0.000% *  0.0327% (0.30   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   21  20.03 +/- 1.71   0.000% *  0.0246% (0.23   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    CYS   21  21.70 +/- 1.24   0.000% *  0.0313% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    CYS   21  24.15 +/- 2.65   0.000% *  0.0139% (0.13   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE  119  28.97 +/- 1.38   0.000% *  0.0212% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.12, 7.92, 121.27 ppm):
    14 chemical-shift based assignments, quality = 0.901, support = 6.53, residual support = 226.8:
          HG13  ILE  119 - HN    ILE  119   3.54 +/- 0.40  40.324% * 84.7457% (0.99   6.95 254.29) =  88.695%  kept
          QB    ALA   20 - HN    CYS   21   3.61 +/- 0.03  34.800% *  8.8042% (0.19   3.73  15.21) =   7.952%  kept
          QG1   VAL  107 - HN    ILE  119   3.96 +/- 0.57  23.684% *  5.4503% (0.20   2.24   0.02) =   3.350%  kept
          HG2   LYS+ 121 - HN    ILE  119   7.05 +/- 0.41   0.685% *  0.0614% (0.25   0.02   2.06) =   0.001%
          HD3   LYS+ 112 - HN    ILE  119  10.19 +/- 1.43   0.117% *  0.1493% (0.61   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    CYS   21   7.84 +/- 0.41   0.357% *  0.0379% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    CYS   21  12.42 +/- 0.64   0.021% *  0.0776% (0.32   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  18.87 +/- 1.19   0.002% *  0.1493% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  22.38 +/- 1.27   0.001% *  0.2456% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  20.20 +/- 1.53   0.001% *  0.1198% (0.49   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  19.59 +/- 1.42   0.002% *  0.0771% (0.31   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    CYS   21  16.10 +/- 1.12   0.005% *  0.0154% (0.06   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  23.89 +/- 3.46   0.001% *  0.0472% (0.19   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  23.87 +/- 2.30   0.000% *  0.0194% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1181 (0.99, 7.92, 121.27 ppm):
    14 chemical-shift based assignments, quality = 0.502, support = 0.0197, residual support = 3.27:
          HG3   LYS+  74 - HN    CYS   21   6.64 +/- 0.56  40.492% *  3.7747% (0.23   0.02   9.12) =  29.439%  kept
          QD1   LEU   67 - HN    ILE  119  10.30 +/- 3.37   8.809% * 15.1858% (0.92   0.02   0.02) =  25.766%  kept
          HB    VAL   75 - HN    CYS   21   7.13 +/- 1.00  31.387% *  3.9726% (0.24   0.02   2.41) =  24.016%  kept
          QD2   LEU   40 - HN    ILE  119  10.99 +/- 1.37   2.787% * 15.5616% (0.95   0.02   0.02) =   8.354%  kept
          QG2   ILE  103 - HN    ILE  119  11.06 +/- 0.87   2.252% * 13.7407% (0.84   0.02   0.02) =   5.960%  kept
          QD2   LEU   71 - HN    CYS   21   8.62 +/- 0.79   9.677% *  1.2962% (0.08   0.02   0.02) =   2.416%  kept
          QD1   LEU   67 - HN    CYS   21  12.15 +/- 1.63   2.030% *  4.7985% (0.29   0.02   0.02) =   1.877%  kept
          QD2   LEU   40 - HN    CYS   21  12.93 +/- 1.23   0.822% *  4.9173% (0.30   0.02   0.02) =   0.779%  kept
          QD1   ILE  103 - HN    ILE  119  13.67 +/- 0.96   0.634% *  2.8810% (0.18   0.02   0.02) =   0.352%
          QD2   LEU   71 - HN    ILE  119  16.03 +/- 1.83   0.370% *  4.1020% (0.25   0.02   0.02) =   0.292%
          HG3   LYS+  74 - HN    ILE  119  18.05 +/- 1.52   0.115% * 11.9456% (0.73   0.02   0.02) =   0.265%
          HB    VAL   75 - HN    ILE  119  18.82 +/- 1.65   0.105% * 12.5720% (0.76   0.02   0.02) =   0.255%
          QG2   ILE  103 - HN    CYS   21  16.02 +/- 1.26   0.210% *  4.3419% (0.26   0.02   0.02) =   0.176%
          QD1   ILE  103 - HN    CYS   21  15.27 +/- 1.63   0.309% *  0.9104% (0.06   0.02   0.02) =   0.054%
    Distance limit 3.53 A violated in 20 structures by 2.14 A, eliminated.
    Peak unassigned.
 
    Peak 1182 (0.21, 7.92, 121.27 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 6.5, residual support = 34.4:
          QG2   THR  118 - HN    ILE  119   3.66 +/- 0.26  99.979% * 99.9028% (0.57   6.50  34.40) = 100.000%  kept
          QG2   THR  118 - HN    CYS   21  15.76 +/- 1.57   0.021% *  0.0972% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1183 (1.46, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.795, support = 4.02, residual support = 50.1:
          QB    ALA  120 - HN    ILE  119   4.18 +/- 0.09  57.032% * 64.6633% (0.80   4.39  54.93) =  89.311%  kept
          HG    LEU  115 - HN    ILE  119   5.20 +/- 0.74  20.070% * 11.8754% (0.80   0.81   9.71) =   5.772%  kept
          HB3   LEU  115 - HN    ILE  119   5.83 +/- 0.45   8.532% * 16.0810% (0.95   0.92   9.71) =   3.323%  kept
          HG    LEU   73 - HN    CYS   21   6.08 +/- 1.16  12.701% *  5.1628% (0.15   1.82   8.58) =   1.588%  kept
          QG    LYS+  66 - HN    ILE  119   8.65 +/- 1.77   1.137% *  0.1137% (0.31   0.02   0.02) =   0.003%
          HG    LEU   67 - HN    ILE  119  12.92 +/- 3.55   0.178% *  0.3650% (0.99   0.02   0.02) =   0.002%
          HG    LEU   40 - HN    ILE  119  13.30 +/- 1.74   0.069% *  0.3484% (0.95   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    ILE  119  14.65 +/- 1.81   0.038% *  0.2085% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ILE  119  13.53 +/- 2.62   0.084% *  0.0645% (0.18   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  15.53 +/- 1.51   0.028% *  0.1153% (0.31   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    CYS   21  14.96 +/- 1.35   0.029% *  0.1101% (0.30   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  17.66 +/- 1.54   0.012% *  0.1793% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  18.89 +/- 2.35   0.009% *  0.2234% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    CYS   21  15.63 +/- 1.21   0.023% *  0.0659% (0.18   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  19.57 +/- 1.74   0.006% *  0.1101% (0.30   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    CYS   21  14.94 +/- 0.92   0.028% *  0.0204% (0.06   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    CYS   21  19.98 +/- 1.68   0.005% *  0.0932% (0.25   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    CYS   21  17.20 +/- 0.95   0.012% *  0.0359% (0.10   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    CYS   21  21.02 +/- 1.11   0.004% *  0.0932% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  22.25 +/- 1.47   0.003% *  0.0706% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1184 (0.13, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 1.66, residual support = 2.4:
          QG2   VAL   75 - HN    CYS   21   5.61 +/- 1.29  86.334% * 98.1496% (1.00   1.66   2.41) =  99.903%  kept
          QG2   VAL   42 - HN    CYS   21  10.17 +/- 1.05   4.374% *  1.1220% (0.95   0.02   0.02) =   0.058%
          QG2   VAL   42 - HN    ILE  119   9.56 +/- 1.27   8.457% *  0.3545% (0.30   0.02   0.02) =   0.035%
          QG2   VAL   75 - HN    ILE  119  15.94 +/- 2.09   0.835% *  0.3739% (0.32   0.02   0.02) =   0.004%
    Distance limit 4.41 A violated in 12 structures by 1.29 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   2.17 +/- 0.10  99.998% * 99.6430% (0.84  10.0   3.74  15.25) = 100.000%  kept
          QG2   VAL  107 - HN    ALA   20  16.70 +/- 0.99   0.001% *  0.1070% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ALA   20  14.96 +/- 0.61   0.001% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ALA   20  19.74 +/- 1.09   0.000% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ALA   20  19.65 +/- 1.43   0.000% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    ALA   20  24.61 +/- 2.18   0.000% *  0.1190% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1186 (0.69, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.7, residual support = 25.9:
          QG2   ILE   19 - HN    ALA   20   2.96 +/- 0.32  99.993% * 99.7559% (0.99   3.70  25.95) = 100.000%  kept
          QD1   LEU   98 - HN    ALA   20  15.10 +/- 1.31   0.007% *  0.2441% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1187 (2.00, 8.93, 131.32 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.95, residual support = 173.8:
      O   HB    ILE   19 - HN    ILE   19   2.30 +/- 0.24  99.561% * 99.4048% (0.97  10.0   5.95 173.80) = 100.000%  kept
          HB2   GLN   17 - HN    ILE   19   6.14 +/- 0.47   0.373% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE   19   8.46 +/- 0.49   0.052% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ILE   19  13.21 +/- 1.17   0.004% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE   19  12.61 +/- 1.81   0.007% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE   19  14.90 +/- 0.40   0.002% *  0.0924% (0.90   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ILE   19  18.97 +/- 1.48   0.000% *  0.1021% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    ILE   19  17.32 +/- 1.39   0.001% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    ILE   19  18.22 +/- 1.62   0.001% *  0.0257% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE   19  22.34 +/- 2.15   0.000% *  0.0666% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1188 (1.43, 8.93, 131.32 ppm):
    14 chemical-shift based assignments, quality = 0.721, support = 6.14, residual support = 169.4:
          HG12  ILE   19 - HN    ILE   19   3.78 +/- 0.65  76.776% * 78.4848% (0.73   6.27 173.80) =  97.409%  kept
          HG    LEU   73 - HN    ILE   19   6.03 +/- 0.59   5.954% * 14.5732% (0.80   1.06   4.00) =   1.403%  kept
          HB3   LYS+  74 - HN    ILE   19   5.84 +/- 1.05  15.642% *  4.6739% (0.18   1.55   8.02) =   1.182%  kept
          QB    ALA   61 - HN    ILE   19   9.16 +/- 1.64   0.602% *  0.3326% (0.97   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    ILE   19   9.76 +/- 0.86   0.321% *  0.3447% (1.00   0.02   0.02) =   0.002%
          HG    LEU   67 - HN    ILE   19  10.48 +/- 1.86   0.434% *  0.0767% (0.22   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    ILE   19  12.56 +/- 1.19   0.066% *  0.3261% (0.95   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE   19  13.77 +/- 1.94   0.047% *  0.2879% (0.84   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE   19  11.97 +/- 1.17   0.089% *  0.1064% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE   19  14.07 +/- 1.51   0.037% *  0.1064% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ILE   19  17.54 +/- 2.13   0.011% *  0.2760% (0.80   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ILE   19  16.99 +/- 1.71   0.013% *  0.1064% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE   19  21.23 +/- 1.11   0.003% *  0.2368% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ILE   19  20.26 +/- 2.63   0.005% *  0.0682% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1189 (1.24, 8.93, 131.32 ppm):
    11 chemical-shift based assignments, quality = 0.961, support = 5.92, residual support = 173.0:
          HG13  ILE   19 - HN    ILE   19   3.74 +/- 0.52  92.633% * 90.0162% (0.97   5.95 173.80) =  99.560%  kept
          HG2   LYS+  74 - HN    ILE   19   7.24 +/- 1.07   4.266% *  8.4679% (0.99   0.54   8.02) =   0.431%
          HG    LEU   71 - HN    ILE   19   8.18 +/- 1.08   1.888% *  0.3075% (0.98   0.02   0.02) =   0.007%
          QG2   THR   39 - HN    ILE   19   8.98 +/- 0.77   0.696% *  0.2155% (0.69   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    ILE   19   9.79 +/- 0.58   0.368% *  0.0425% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ILE   19  12.80 +/- 1.50   0.098% *  0.0782% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   19  16.47 +/- 1.20   0.015% *  0.3131% (1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ILE   19  16.75 +/- 1.05   0.015% *  0.2155% (0.69   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    ILE   19  18.27 +/- 2.25   0.011% *  0.1178% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   19  18.60 +/- 1.14   0.008% *  0.1290% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   19  23.27 +/- 2.00   0.002% *  0.0968% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1190 (0.84, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 4.88, residual support = 22.5:
          QG1   VAL   18 - HN    ILE   19   2.52 +/- 0.41  98.170% * 96.4118% (0.34   4.88  22.49) =  99.985%  kept
          QD1   LEU   71 - HN    ILE   19   6.72 +/- 1.39   1.685% *  0.7962% (0.69   0.02   0.02) =   0.014%
          QG1   VAL   70 - HN    ILE   19   8.55 +/- 1.24   0.140% *  0.5196% (0.45   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    ILE   19  15.49 +/- 1.70   0.003% *  0.7962% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    ILE   19  17.69 +/- 1.24   0.001% *  1.1186% (0.97   0.02   0.02) =   0.000%
          QD2   LEU  123 - HN    ILE   19  16.95 +/- 1.84   0.001% *  0.3577% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1191 (0.75, 8.93, 131.32 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 4.92, residual support = 73.9:
          QG2   VAL   18 - HN    ILE   19   3.83 +/- 0.52  37.240% * 57.4043% (0.97   4.84  22.49) =  61.928%  kept
          QD1   ILE   19 - HN    ILE   19   3.99 +/- 0.85  31.590% * 37.6238% (0.57   5.41 173.80) =  34.430%  kept
          QD2   LEU   73 - HN    ILE   19   4.02 +/- 0.73  30.612% *  4.1028% (0.22   1.50   4.00) =   3.638%  kept
          QG1   VAL   43 - HN    ILE   19   8.74 +/- 0.71   0.252% *  0.2435% (0.99   0.02   0.02) =   0.002%
          QG2   THR   46 - HN    ILE   19   9.87 +/- 1.56   0.160% *  0.2204% (0.90   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    ILE   19  10.30 +/- 1.00   0.089% *  0.2204% (0.90   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    ILE   19  12.13 +/- 0.76   0.039% *  0.0838% (0.34   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ILE   19  14.96 +/- 1.48   0.019% *  0.1010% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1192 (1.43, 8.71, 131.46 ppm):
    14 chemical-shift based assignments, quality = 0.715, support = 4.63, residual support = 25.4:
          HG12  ILE   19 - HN    ALA   20   4.32 +/- 0.89  70.785% * 82.7593% (0.73   4.73  25.95) =  97.241%  kept
          HB3   LYS+  74 - HN    ALA   20   5.64 +/- 0.80  23.883% *  5.3638% (0.18   1.27   8.16) =   2.126%  kept
          HG    LEU   73 - HN    ALA   20   8.22 +/- 0.98   4.338% *  8.7070% (0.80   0.45   0.02) =   0.627%  kept
          QB    ALA   61 - HN    ALA   20  11.33 +/- 1.98   0.416% *  0.4649% (0.97   0.02   0.02) =   0.003%
          HG    LEU   80 - HN    ALA   20  12.46 +/- 1.61   0.190% *  0.4024% (0.84   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ALA   20  13.74 +/- 0.95   0.073% *  0.4817% (1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ALA   20  12.87 +/- 1.39   0.156% *  0.1487% (0.31   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA   20  16.06 +/- 1.31   0.035% *  0.4557% (0.95   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   20  14.48 +/- 2.21   0.060% *  0.1072% (0.22   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   20  15.84 +/- 1.19   0.039% *  0.1487% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   20  19.52 +/- 2.39   0.011% *  0.3857% (0.80   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   20  20.36 +/- 1.71   0.009% *  0.1487% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   20  24.35 +/- 1.19   0.003% *  0.3309% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   20  24.36 +/- 2.48   0.003% *  0.0953% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1193 (1.43, 7.93, 121.01 ppm):
    28 chemical-shift based assignments, quality = 0.479, support = 2.27, residual support = 7.94:
          HB3   LYS+  74 - HN    CYS   21   4.47 +/- 0.57  52.012% * 13.9397% (0.18   2.84   9.12) =  46.939%  kept
          HG    LEU   73 - HN    CYS   21   6.08 +/- 1.16  15.145% * 40.9120% (0.80   1.82   8.58) =  40.113%  kept
          HG12  ILE   19 - HN    CYS   21   6.75 +/- 0.24   4.270% * 36.3534% (0.73   1.79   0.21) =  10.050%  kept
          HB3   LEU  115 - HN    ILE  119   5.83 +/- 0.45  11.618% *  2.5236% (0.10   0.92   9.71) =   1.898%  kept
          HD3   LYS+ 121 - HN    ILE  119   6.35 +/- 1.11  11.633% *  1.2048% (0.06   0.69   2.06) =   0.907%  kept
          HG    LEU   80 - HN    CYS   21   8.95 +/- 2.12   1.652% *  0.4683% (0.84   0.02   0.02) =   0.050%
          QG    LYS+  66 - HN    ILE  119   8.65 +/- 1.77   1.419% *  0.1676% (0.30   0.02   0.02) =   0.015%
          HB2   LEU   80 - HN    CYS   21   9.46 +/- 1.57   0.831% *  0.1730% (0.31   0.02   0.02) =   0.009%
          QB    ALA   61 - HN    CYS   21  12.48 +/- 1.77   0.134% *  0.5410% (0.97   0.02   0.02) =   0.005%
          QB    ALA   61 - HN    ILE  119  10.60 +/- 0.88   0.344% *  0.1710% (0.30   0.02   0.02) =   0.004%
          QB    ALA  110 - HN    ILE  119  10.78 +/- 0.70   0.293% *  0.1418% (0.25   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    CYS   21  14.94 +/- 0.92   0.037% *  0.5606% (1.00   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ILE  119  13.53 +/- 2.62   0.112% *  0.1771% (0.32   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ILE  119  12.92 +/- 3.55   0.242% *  0.0394% (0.07   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    CYS   21  17.20 +/- 0.95   0.015% *  0.5303% (0.95   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    CYS   21  14.96 +/- 1.35   0.039% *  0.1730% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    CYS   21  18.33 +/- 2.40   0.014% *  0.4489% (0.80   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE  119  13.30 +/- 1.74   0.091% *  0.0547% (0.10   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  15.53 +/- 1.51   0.037% *  0.1248% (0.22   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  17.66 +/- 1.54   0.016% *  0.1418% (0.25   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  19.57 +/- 1.74   0.009% *  0.1730% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  18.89 +/- 2.35   0.011% *  0.1217% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  22.25 +/- 1.47   0.003% *  0.3851% (0.69   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE  119  20.73 +/- 1.71   0.005% *  0.1286% (0.23   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ILE  119  18.93 +/- 1.24   0.010% *  0.0310% (0.06   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    CYS   21  23.57 +/- 2.39   0.003% *  0.1109% (0.20   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE  119  24.57 +/- 2.34   0.002% *  0.1480% (0.26   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE  119  24.13 +/- 2.10   0.002% *  0.0547% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1194 (2.19, 7.45, 112.50 ppm):
    7 chemical-shift based assignments, quality = 0.485, support = 3.17, residual support = 84.5:
      O   QG    GLN   17 - HE21  GLN   17   2.21 +/- 0.09  99.994% * 99.5957% (0.48  10.0   3.17  84.50) = 100.000%  kept
          HB    VAL   70 - HE21  GLN   17  12.79 +/- 1.77   0.004% *  0.0879% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HE21  GLN   17  18.54 +/- 2.43   0.000% *  0.1161% (0.57   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HE21  GLN   17  18.64 +/- 3.04   0.001% *  0.0403% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HE21  GLN   17  21.64 +/- 2.19   0.000% *  0.1053% (0.51   1.0   0.02   0.02) =   0.000%
          HB2   MET   96 - HE21  GLN   17  18.99 +/- 1.32   0.000% *  0.0323% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HE21  GLN   17  27.40 +/- 2.46   0.000% *  0.0224% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1195 (8.26, 7.69, 115.83 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.47, residual support = 50.1:
        T HN    VAL   18 - HN    GLN   17   4.41 +/- 0.02  98.922% * 99.9055% (0.73 10.00   5.47  50.10) =  99.999%  kept
          HN    SER   13 - HN    GLN   17  10.20 +/- 1.18   1.078% *  0.0945% (0.69  1.00   0.02   0.02) =   0.001%
    Distance limit 4.25 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1196 (7.68, 8.27, 122.56 ppm):
    3 chemical-shift based assignments, quality = 0.891, support = 5.47, residual support = 50.1:
        T HN    GLN   17 - HN    VAL   18   4.41 +/- 0.02  99.875% * 99.7850% (0.89 10.00   5.47  50.10) = 100.000%  kept
          HD21  ASN   69 - HN    VAL   18  13.72 +/- 0.75   0.117% *  0.1079% (0.96  1.00   0.02   0.02) =   0.000%
          HN    TRP   87 - HN    VAL   18  21.70 +/- 1.36   0.008% *  0.1071% (0.96  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1197 (8.46, 8.93, 131.32 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.25, residual support = 8.02:
        T HN    LYS+  74 - HN    ILE   19   4.77 +/- 0.63  99.440% * 99.4791% (0.41 10.00   3.25   8.02) =  99.999%  kept
          HN    THR   46 - HN    ILE   19  12.28 +/- 1.27   0.448% *  0.2021% (0.84  1.00   0.02   0.02) =   0.001%
          HN    MET   92 - HN    ILE   19  19.58 +/- 1.17   0.027% *  0.2335% (0.97  1.00   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE   19  18.63 +/- 3.27   0.070% *  0.0373% (0.15  1.00   0.02   0.02) =   0.000%
          HN    ASP- 113 - HN    ILE   19  22.82 +/- 1.92   0.015% *  0.0479% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 2 structures by 0.39 A, kept.
 
    Peak 1198 (8.11, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.842, support = 2.83, residual support = 2.99:
          HN    THR   26 - HN    VAL   24   4.49 +/- 0.14  75.485% * 88.7476% (0.87   2.88   2.76) =  96.180%  kept
          HN    LEU   80 - HN    VAL   24   6.06 +/- 1.88  24.433% * 10.8893% (0.20   1.55   8.79) =   3.820%  kept
          HN    ALA   34 - HN    VAL   24  14.49 +/- 0.34   0.069% *  0.0962% (0.14   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    VAL   24  20.06 +/- 1.94   0.013% *  0.2669% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.58 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 = 0.976, support = 4.4, residual support = 26.3:
          HN    THR   23 - HN    VAL   24   4.51 +/- 0.17  65.411% * 94.8423% (0.98   4.48  26.37) =  97.970%  kept
          HE3   TRP   27 - HN    VAL   24   5.82 +/- 1.76  33.537% *  3.8298% (0.76   0.23  23.65) =   2.028%  kept
          HD2   HIS   22 - HN    VAL   24   9.17 +/- 0.26   0.955% *  0.0961% (0.22   0.02   0.02) =   0.001%
          QE    PHE   95 - HN    VAL   24  15.15 +/- 1.51   0.052% *  0.4277% (0.99   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    VAL   24  17.44 +/- 2.08   0.034% *  0.1472% (0.34   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    VAL   24  22.60 +/- 1.44   0.005% *  0.3605% (0.84   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    VAL   24  21.86 +/- 1.12   0.005% *  0.2964% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1200 (10.58, 10.20, 129.00 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 2.64:
          HE1   TRP   87 - HE1   TRP   27   7.50 +/- 2.46 100.000% *100.0000% (0.53   0.02   2.64) = 100.000%  kept
    Distance limit 4.03 A violated in 17 structures by 3.56 A, eliminated.
    Peak unassigned.
 
    Peak 1202 (8.08, 8.36, 120.50 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.04, residual support = 18.8:
        T HN    ALA   34 - HN    ASN   35   2.69 +/- 0.04  97.221% * 98.9220% (0.98 10.00   4.04  18.76) =  99.998%  kept
          HN    GLN   32 - HN    ASN   35   4.88 +/- 0.13   2.778% *  0.0531% (0.53  1.00   0.02   6.35) =   0.002%
        T HN    LEU   80 - HN    ASN   35  21.09 +/- 1.59   0.000% *  0.9316% (0.92 10.00   0.02   0.02) =   0.000%
          HN    SER   85 - HN    ASN   35  22.59 +/- 2.07   0.000% *  0.0200% (0.20  1.00   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    ASN   35  28.45 +/- 1.61   0.000% *  0.0733% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1203 (7.91, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.97, residual support = 18.9:
        T HN    SER   37 - HN    GLU-  36   2.42 +/- 0.06  99.999% * 99.7690% (0.98 10.00   3.97  18.87) = 100.000%  kept
          HN    CYS   21 - HN    GLU-  36  16.14 +/- 0.61   0.001% *  0.0418% (0.41  1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    GLU-  36  24.78 +/- 2.00   0.000% *  0.1009% (0.99  1.00   0.02   0.02) =   0.000%
          HN    ILE  119 - HN    GLU-  36  25.47 +/- 1.55   0.000% *  0.0883% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1204 (7.88, 7.75, 114.55 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.28, residual support = 27.9:
        T HN    LYS+  38 - HN    THR   39   2.59 +/- 0.09  99.958% * 99.8693% (1.00 10.00   5.28  27.94) = 100.000%  kept
          HN    LEU   31 - HN    THR   39   9.55 +/- 0.19   0.041% *  0.0278% (0.28  1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    THR   39  20.38 +/- 1.10   0.000% *  0.0341% (0.34  1.00   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    THR   39  28.28 +/- 2.02   0.000% *  0.0688% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1205 (9.33, 9.16, 125.94 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 4.0, residual support = 16.4:
          HN    MET   96 - HN    VAL   43   2.88 +/- 0.54  99.436% * 99.8546% (0.76   4.00  16.41) =  99.999%  kept
          HN    PHE   72 - HN    VAL   43   8.16 +/- 0.44   0.564% *  0.1454% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.77 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1206 (8.97, 8.78, 123.55 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.27, residual support = 7.01:
          HN    LEU   73 - HN    ASP-  44   4.12 +/- 0.52  93.992% * 70.7966% (0.38   4.34   7.18) =  97.569%  kept
          HN    VAL   42 - HN    ASP-  44   6.72 +/- 0.26   5.846% * 28.3354% (0.38   1.74   0.02) =   2.429%  kept
          HN    LYS+ 106 - HN    ASP-  44  12.63 +/- 0.64   0.162% *  0.8680% (1.00   0.02   0.02) =   0.002%
    Distance limit 4.22 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1207 (8.97, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 5.77, residual support = 35.5:
          HN    VAL   42 - HN    VAL   43   4.40 +/- 0.11  69.018% * 75.0437% (0.38   6.30  39.44) =  87.529%  kept
          HN    LEU   73 - HN    VAL   43   5.10 +/- 0.37  30.324% * 24.3228% (0.38   2.04   8.20) =  12.464%  kept
          HN    LYS+ 106 - HN    VAL   43   9.63 +/- 0.41   0.658% *  0.6335% (1.00   0.02   0.02) =   0.007%
    Distance limit 4.24 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1208 (7.58, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.843, support = 0.02, residual support = 0.02:
          HN    ALA   84 - HN    ASP-  44  11.90 +/- 0.89  31.769% * 23.7147% (1.00   0.02   0.02) =  39.074%  kept
          HN    LEU   63 - HN    ASP-  44  11.45 +/- 1.02  41.020% * 15.3753% (0.65   0.02   0.02) =  32.711%  kept
          HN    ILE   56 - HN    ASP-  44  13.42 +/- 1.23  16.378% * 18.1638% (0.76   0.02   0.02) =  15.429%  kept
          HN    LYS+ 111 - HN    ASP-  44  15.38 +/- 1.88   8.615% * 23.7147% (1.00   0.02   0.02) =  10.596%  kept
          HE21  GLN   32 - HN    ASP-  44  19.21 +/- 1.22   2.219% * 19.0315% (0.80   0.02   0.02) =   2.190%  kept
    Distance limit 4.21 A violated in 20 structures by 5.55 A, eliminated.
    Peak unassigned.
 
    Peak 1209 (7.26, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.591, support = 0.0199, residual support = 0.165:
          QD    PHE   60 - HN    ASP-  44   6.82 +/- 1.23  76.792% * 13.9289% (0.41   0.02   0.25) =  62.015%  kept
          QE    PHE   59 - HN    ASP-  44   9.50 +/- 2.34  17.957% * 31.2761% (0.92   0.02   0.02) =  32.563%  kept
          HN    PHE   59 - HN    ASP-  44  12.64 +/- 1.15   2.379% * 19.1819% (0.57   0.02   0.02) =   2.645%  kept
          HN    LYS+  66 - HN    ASP-  44  13.84 +/- 0.95   1.306% * 30.3855% (0.90   0.02   0.02) =   2.302%  kept
          HN    LYS+  81 - HN    ASP-  44  14.04 +/- 1.41   1.565% *  5.2277% (0.15   0.02   0.02) =   0.474%
    Distance limit 4.51 A violated in 17 structures by 1.99 A, eliminated.
    Peak unassigned.
 
    Peak 1210 (7.68, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.657, support = 0.02, residual support = 0.02:
          HN    GLN   17 - HN    ASP-  62  11.04 +/- 1.28  81.905% * 29.1578% (0.63   0.02   0.02) =  78.599%  kept
          HD21  ASN   69 - HN    ASP-  62  14.68 +/- 0.87  16.916% * 36.0114% (0.77   0.02   0.02) =  20.049%  kept
          HN    TRP   87 - HN    ASP-  62  22.77 +/- 0.94   1.179% * 34.8308% (0.75   0.02   0.02) =   1.352%  kept
    Distance limit 3.41 A violated in 20 structures by 7.23 A, eliminated.
    Peak unassigned.
 
    Peak 1211 (7.57, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.324, support = 5.86, residual support = 42.5:
        T HN    LEU   63 - HN    ASP-  62   2.56 +/- 0.07  99.954% * 98.0197% (0.32 10.00   5.86  42.50) =  99.999%  kept
        T HN    ILE   56 - HN    ASP-  62   9.63 +/- 0.72   0.041% *  1.2712% (0.42 10.00   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HN    ASP-  62  13.93 +/- 1.88   0.005% *  0.2265% (0.75  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ASP-  62  22.58 +/- 1.42   0.000% *  0.2265% (0.75  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ASP-  62  28.47 +/- 1.30   0.000% *  0.2560% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 0.924, support = 0.02, residual support = 0.02:
          HN    PHE   45 - HN    LEU   73   7.99 +/- 0.66  98.502% * 48.0011% (0.92   0.02   0.02) =  98.380%  kept
          HN    ALA  110 - HN    LEU   73  16.87 +/- 2.15   1.498% * 51.9989% (1.00   0.02   0.02) =   1.620%  kept
    Distance limit 3.98 A violated in 20 structures by 3.99 A, eliminated.
    Peak unassigned.
 
    Peak 1213 (8.51, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.397, support = 3.9, residual support = 20.9:
          HN    VAL   75 - HN    ASP-  76   4.29 +/- 0.12  74.281% * 48.6432% (0.28   4.64  27.29) =  73.455%  kept
          HN    ASP-  78 - HN    ASP-  76   5.17 +/- 0.34  25.699% * 50.8090% (0.73   1.86   3.21) =  26.545%  kept
          HN    LYS+ 112 - HN    ASP-  76  21.49 +/- 3.10   0.014% *  0.3381% (0.45   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ASP-  76  26.37 +/- 4.75   0.006% *  0.2097% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1214 (7.57, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.34, residual support = 28.1:
        T HN    LYS+ 111 - HN    LYS+ 112   4.38 +/- 0.13  96.728% * 99.6886% (0.87 10.00   5.34  28.11) =  99.998%  kept
          HN    ILE   56 - HN    LYS+ 112   8.92 +/- 2.25   3.161% *  0.0559% (0.49  1.00   0.02   8.52) =   0.002%
          HN    LEU   63 - HN    LYS+ 112  13.87 +/- 1.06   0.106% *  0.0431% (0.38  1.00   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    LYS+ 112  23.53 +/- 1.97   0.005% *  0.0997% (0.87  1.00   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    LYS+ 112  35.53 +/- 2.03   0.000% *  0.1126% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 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 = 0.414, support = 0.0199, residual support = 0.0199:
          QD    PHE   55 - HN    GLN  116   8.73 +/- 1.80  73.076% * 11.5373% (0.28   0.02   0.02) =  57.930%  kept
          QD    PHE   60 - HN    GLN  116  11.37 +/- 1.13  20.686% * 26.8436% (0.65   0.02   0.02) =  38.155%  kept
          HN    LYS+  66 - HN    GLN  116  13.66 +/- 0.90   5.743% *  8.2119% (0.20   0.02   0.02) =   3.241%  kept
          HE3   TRP   27 - HN    GLN  116  22.29 +/- 1.17   0.381% * 14.1544% (0.34   0.02   0.02) =   0.371%
          HN    LYS+  81 - HN    GLN  116  27.56 +/- 1.41   0.112% * 39.2529% (0.95   0.02   0.02) =   0.303%
    Distance limit 4.29 A violated in 20 structures by 3.84 A, eliminated.
    Peak unassigned.
 
    Peak 1216 (3.69, 7.43, 118.69 ppm):
    7 chemical-shift based assignments, quality = 0.795, support = 5.9, residual support = 52.4:
      O   HA    ILE  119 - HN    ALA  120   3.62 +/- 0.02  77.264% * 85.7970% (0.80  10.0   5.99  54.93) =  95.449%  kept
          HA    THR  118 - HN    ALA  120   4.46 +/- 0.23  22.636% * 13.9629% (0.67   1.0   3.89   0.18) =   4.551%  kept
          HD3   PRO   58 - HN    ALA  120  12.00 +/- 1.05   0.070% *  0.0196% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ALA  120  14.88 +/- 1.99   0.027% *  0.0407% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  120  25.31 +/- 2.06   0.001% *  0.0792% (0.74   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  120  22.41 +/- 1.28   0.001% *  0.0407% (0.38   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  120  25.14 +/- 1.20   0.001% *  0.0600% (0.56   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1217 (4.24, 7.43, 118.69 ppm):
    5 chemical-shift based assignments, quality = 0.921, support = 0.75, residual support = 5.51:
          HA    SER  117 - HN    ALA  120   3.62 +/- 0.22  99.788% * 95.2241% (0.92   0.75   5.51) =  99.997%  kept
          HA    ASP-  62 - HN    ALA  120  10.80 +/- 1.27   0.180% *  1.3390% (0.49   0.02   0.02) =   0.003%
          HA    ALA   57 - HN    ALA  120  14.26 +/- 0.71   0.029% *  1.0463% (0.38   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA  120  26.99 +/- 1.49   0.001% *  1.9449% (0.71   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA  120  22.16 +/- 1.84   0.002% *  0.4457% (0.16   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 4.07, residual support = 123.6:
      O   HG3   GLN  116 - HE21  GLN  116   3.36 +/- 0.35  99.995% * 99.8198% (0.69  10.0   4.07 123.65) = 100.000%  kept
          HG3   MET   96 - HE21  GLN  116  18.33 +/- 1.31   0.004% *  0.0324% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   TRP   87 - HE21  GLN  116  23.85 +/- 1.66   0.001% *  0.0881% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HE21  GLN  116  31.68 +/- 2.84   0.000% *  0.0597% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1219 (1.45, 7.41, 111.00 ppm):
    13 chemical-shift based assignments, quality = 0.558, support = 3.25, residual support = 83.0:
          HG    LEU  115 - HE21  GLN  116   6.01 +/- 1.67  34.556% * 23.6771% (0.41   3.50 102.11) =  53.813%  kept
          HB3   LEU  115 - HE21  GLN  116   7.52 +/- 1.38   6.030% * 69.2100% (0.95   4.45 102.11) =  27.450%  kept
          QB    ALA  120 - HE21  GLN  116   5.43 +/- 1.56  54.358% *  5.2256% (0.41   0.77   0.15) =  18.683%  kept
          QG    LYS+  66 - HE21  GLN  116   9.09 +/- 1.74   2.270% *  0.2260% (0.69   0.02   0.02) =   0.034%
          QB    ALA   61 - HE21  GLN  116  10.27 +/- 2.37   2.175% *  0.1122% (0.34   0.02   0.02) =   0.016%
          QB    ALA  110 - HE21  GLN  116  11.22 +/- 1.32   0.423% *  0.0576% (0.18   0.02   0.02) =   0.002%
          HG    LEU   67 - HE21  GLN  116  15.21 +/- 2.41   0.082% *  0.2854% (0.87   0.02   0.02) =   0.002%
          HB3   LEU   67 - HE21  GLN  116  15.63 +/- 1.56   0.050% *  0.1601% (0.49   0.02   0.02) =   0.001%
          HG    LEU   40 - HE21  GLN  116  17.61 +/- 1.75   0.025% *  0.3112% (0.95   0.02   0.02) =   0.001%
          HG    LEU   73 - HE21  GLN  116  21.12 +/- 1.92   0.009% *  0.2854% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE21  GLN  116  18.69 +/- 1.87   0.017% *  0.0732% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE21  GLN  116  23.83 +/- 2.16   0.004% *  0.3112% (0.95   0.02   0.02) =   0.000%
          HG    LEU   80 - HE21  GLN  116  27.52 +/- 3.09   0.002% *  0.0651% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1220 (2.02, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.334, support = 1.13, residual support = 0.739:
          HB    ILE  119 - HN    SER  117   4.75 +/- 0.26  50.077% * 50.2206% (0.20   1.57   1.11) =  66.121%  kept
          QB    GLU- 114 - HN    SER  117   4.84 +/- 0.24  44.871% * 28.3562% (0.61   0.29   0.02) =  33.453%  kept
          HB2   LYS+ 111 - HN    SER  117   7.54 +/- 1.28   4.972% *  3.2281% (1.00   0.02   0.02) =   0.422%
          HB3   PRO   68 - HN    SER  117  18.91 +/- 2.26   0.020% *  2.7023% (0.84   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    SER  117  17.82 +/- 2.67   0.036% *  1.4505% (0.45   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    SER  117  21.48 +/- 1.19   0.006% *  3.2281% (1.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    SER  117  21.93 +/- 1.53   0.006% *  3.2281% (1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    SER  117  22.28 +/- 1.28   0.005% *  1.7021% (0.53   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    SER  117  23.68 +/- 1.44   0.003% *  0.8067% (0.25   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    SER  117  26.54 +/- 1.50   0.002% *  1.4505% (0.45   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    SER  117  31.17 +/- 1.64   0.001% *  2.9865% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    SER  117  24.85 +/- 1.46   0.003% *  0.6403% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.62 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 = 0.865, support = 2.27, residual support = 3.04:
          HG    LEU  115 - HN    SER  117   5.62 +/- 0.72  31.231% * 33.3021% (0.84   2.37   1.99) =  35.730%  kept
          HB3   LEU  115 - HN    SER  117   5.85 +/- 0.21  21.397% * 46.6717% (0.92   3.00   1.99) =  34.307%  kept
          QB    ALA  120 - HN    SER  117   5.13 +/- 0.35  46.651% * 18.6935% (0.84   1.33   5.51) =  29.959%  kept
          QG    LYS+  66 - HN    SER  117  11.38 +/- 1.48   0.487% *  0.0936% (0.28   0.02   0.02) =   0.002%
          HG    LEU   67 - HN    SER  117  16.34 +/- 3.23   0.083% *  0.3301% (0.98   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    SER  117  16.41 +/- 1.52   0.048% *  0.3109% (0.92   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    SER  117  17.87 +/- 1.65   0.029% *  0.2043% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    SER  117  20.72 +/- 2.51   0.014% *  0.1907% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    SER  117  16.94 +/- 2.25   0.047% *  0.0520% (0.15   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    SER  117  20.39 +/- 1.32   0.012% *  0.1510% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1222 (2.99, 9.38, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.993, support = 3.01, residual support = 17.4:
          HB2   PHE   97 - HN    LEU  104   3.56 +/- 0.87  89.058% * 81.7228% (1.00   3.05  17.83) =  97.781%  kept
          QE    LYS+ 106 - HN    LEU  104   6.20 +/- 1.23   9.617% * 17.1469% (0.76   0.84   0.02) =   2.215%  kept
          QE    LYS+  99 - HN    LEU  104   7.49 +/- 1.13   1.224% *  0.2013% (0.38   0.02  17.35) =   0.003%
          HB3   TRP   27 - HN    LEU  104  15.36 +/- 1.64   0.031% *  0.5315% (0.99   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    LEU  104  15.29 +/- 1.56   0.035% *  0.3036% (0.57   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU  104  13.55 +/- 1.24   0.036% *  0.0939% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1223 (1.83, 9.38, 128.74 ppm):
    9 chemical-shift based assignments, quality = 0.946, support = 5.49, residual support = 35.2:
          HG12  ILE  103 - HN    LEU  104   4.36 +/- 0.34  78.345% * 83.2229% (0.97   5.63  36.61) =  96.135%  kept
          QB    LYS+ 102 - HN    LEU  104   5.78 +/- 0.48  17.081% * 15.2713% (0.49   2.05   0.02) =   3.846%  kept
          HB    VAL   41 - HN    LEU  104   7.76 +/- 1.20   3.655% *  0.3062% (1.00   0.02   0.02) =   0.017%
          HB3   PRO   52 - HN    LEU  104  20.75 +/- 3.78   0.444% *  0.2340% (0.76   0.02   0.02) =   0.002%
          QB    LYS+  66 - HN    LEU  104  13.73 +/- 1.69   0.108% *  0.2897% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LEU  104  11.55 +/- 1.13   0.271% *  0.1045% (0.34   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU  104  15.76 +/- 2.03   0.050% *  0.2340% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU  104  17.35 +/- 0.82   0.022% *  0.2224% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU  104  17.00 +/- 1.07   0.024% *  0.1149% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1224 (1.41, 8.62, 122.05 ppm):
    11 chemical-shift based assignments, quality = 0.606, support = 1.75, residual support = 28.7:
          QB    LEU   98 - HN    ILE  103   4.22 +/- 0.81  99.407% * 88.7470% (0.61   1.75  28.69) =  99.991%  kept
          HD3   LYS+ 121 - HN    ILE  103  13.98 +/- 2.58   0.399% *  1.4963% (0.90   0.02   0.02) =   0.007%
          HG    LEU   80 - HN    ILE  103  20.65 +/- 4.64   0.030% *  1.2751% (0.76   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ILE  103  17.92 +/- 1.00   0.024% *  1.3360% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ILE  103  17.86 +/- 2.82   0.044% *  0.6859% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE  103  20.63 +/- 4.07   0.018% *  1.6354% (0.98   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ILE  103  20.28 +/- 1.15   0.015% *  1.4473% (0.87   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE  103  20.92 +/- 1.87   0.014% *  1.4473% (0.87   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ILE  103  19.31 +/- 1.36   0.017% *  0.9446% (0.57   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ILE  103  18.37 +/- 1.45   0.024% *  0.4160% (0.25   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ILE  103  24.69 +/- 2.87   0.008% *  0.5691% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 2 structures by 0.24 A, kept.
 
    Peak 1225 (0.73, 8.62, 122.05 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 5.13, residual support = 33.5:
          QD2   LEU  104 - HN    ILE  103   4.88 +/- 1.04  26.540% * 79.5648% (1.00   5.58  36.61) =  60.305%  kept
          QD1   LEU   98 - HN    ILE  103   3.74 +/- 0.73  70.732% * 19.6483% (0.31   4.46  28.69) =  39.689%  kept
          QG1   VAL   43 - HN    ILE  103   8.72 +/- 1.51   1.084% *  0.0974% (0.34   0.02   0.02) =   0.003%
          QG1   VAL   41 - HN    ILE  103   7.28 +/- 0.77   1.610% *  0.0565% (0.20   0.02   0.02) =   0.003%
          QG2   THR   46 - HN    ILE  103  17.43 +/- 2.03   0.016% *  0.1960% (0.69   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    ILE  103  17.35 +/- 1.35   0.010% *  0.2754% (0.97   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    ILE  103  17.27 +/- 1.09   0.009% *  0.1616% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1226 (0.58, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.411, support = 6.88, residual support = 219.0:
          QD1   LEU  104 - HN    LEU  104   3.79 +/- 0.57  96.470% * 97.1234% (0.41   6.88 219.06) =  99.986%  kept
          QD1   LEU   63 - HN    LEU  104   9.30 +/- 0.73   0.670% *  0.6629% (0.97   0.02   0.02) =   0.005%
          QD2   LEU   63 - HN    LEU  104   9.32 +/- 1.61   0.873% *  0.4988% (0.73   0.02   0.02) =   0.005%
          QG2   VAL   41 - HN    LEU  104   7.96 +/- 0.76   1.648% *  0.1359% (0.20   0.02   0.02) =   0.002%
          QD1   LEU   73 - HN    LEU  104  11.04 +/- 0.91   0.222% *  0.6629% (0.97   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    LEU  104  13.05 +/- 0.93   0.086% *  0.4718% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU  104  16.31 +/- 3.27   0.031% *  0.4443% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.55 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 = 0.388, support = 5.2, residual support = 30.2:
          QD2   LEU  104 - HN    ASP- 105   4.23 +/- 0.41  82.702% * 35.2761% (0.18   6.36  41.48) =  72.434%  kept
          QD1   LEU   98 - HN    ASP- 105   5.95 +/- 0.90  17.249% * 64.3655% (0.95   2.15   0.62) =  27.566%  kept
          QG2   ILE   19 - HN    ASP- 105  14.95 +/- 1.07   0.048% *  0.3584% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1228 (1.38, 8.97, 118.18 ppm):
    15 chemical-shift based assignments, quality = 0.897, support = 4.02, residual support = 135.8:
          HG3   LYS+ 106 - HN    LYS+ 106   2.71 +/- 0.46  98.028% * 95.5318% (0.90   4.02 135.79) =  99.997%  kept
          HD3   LYS+ 121 - HN    LYS+ 106   7.63 +/- 1.88   1.678% *  0.0929% (0.18   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HN    LYS+ 106  12.54 +/- 1.69   0.046% *  0.5255% (0.99   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+ 106   9.31 +/- 0.64   0.094% *  0.2180% (0.41   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+ 106  11.97 +/- 0.63   0.024% *  0.5290% (1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+ 106  10.06 +/- 1.25   0.089% *  0.1180% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+ 106  14.45 +/- 0.59   0.007% *  0.5117% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 106  15.45 +/- 1.11   0.006% *  0.5290% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+ 106  12.43 +/- 0.51   0.016% *  0.1809% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 106  19.25 +/- 0.80   0.001% *  0.5290% (1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+ 106  17.19 +/- 1.67   0.003% *  0.1636% (0.31   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+ 106  14.69 +/- 1.41   0.006% *  0.0818% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 106  21.72 +/- 0.70   0.001% *  0.5197% (0.98   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 106  18.45 +/- 0.82   0.002% *  0.1049% (0.20   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 106  25.39 +/- 2.19   0.000% *  0.3642% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1229 (1.08, 8.97, 118.18 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 2.85, residual support = 25.0:
          QG1   VAL  107 - HN    LYS+ 106   4.33 +/- 0.45  99.293% * 97.0528% (0.53   2.85  25.04) =  99.994%  kept
          HG    LEU   63 - HN    LYS+ 106  10.90 +/- 1.14   0.468% *  0.9390% (0.73   0.02   0.02) =   0.005%
          QG2   VAL   24 - HN    LYS+ 106  17.65 +/- 1.62   0.032% *  1.1217% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    LYS+ 106  14.64 +/- 1.07   0.086% *  0.3991% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LYS+ 106  15.04 +/- 1.35   0.080% *  0.1995% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    LYS+ 106  16.36 +/- 1.44   0.041% *  0.2879% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.78 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1230 (0.90, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.52, residual support = 62.1:
          QG1   VAL  108 - HN    VAL  108   3.58 +/- 0.07  99.863% * 99.4338% (0.98   4.52  62.12) = 100.000%  kept
          QD1   LEU   40 - HN    VAL  108  12.44 +/- 0.96   0.065% *  0.2183% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    VAL  108  13.25 +/- 1.59   0.048% *  0.2360% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    VAL  108  15.47 +/- 2.37   0.024% *  0.1118% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 2.86, residual support = 7.79:
          QG2   ILE   89 - HN    ALA   91   2.96 +/- 0.68  98.165% * 97.9729% (1.00   2.86   7.79) =  99.974%  kept
          QG1   VAL   83 - HN    TRP   27   6.36 +/- 1.10   1.663% *  1.4627% (0.07   0.66   2.11) =   0.025%
          QG1   VAL   83 - HN    ALA   91   9.96 +/- 0.56   0.124% *  0.3608% (0.53   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    TRP   27  12.25 +/- 1.45   0.037% *  0.0847% (0.12   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  18.84 +/- 2.68   0.003% *  0.1058% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  16.14 +/- 1.80   0.008% *  0.0131% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1232 (1.26, 10.11, 128.03 ppm):
    10 chemical-shift based assignments, quality = 0.447, support = 5.31, residual support = 39.5:
          HG3   LYS+  99 - HN    GLU- 100   3.56 +/- 0.48  69.470% * 94.9786% (0.45   5.33  39.58) =  99.703%  kept
          QB    ALA   34 - HN    GLU- 100   4.94 +/- 1.02  19.611% *  0.5774% (0.73   0.02   0.02) =   0.171%
          HG3   LYS+  38 - HN    GLU- 100   5.99 +/- 1.33   7.959% *  0.7882% (0.99   0.02   0.02) =   0.095%
          QG2   THR   39 - HN    GLU- 100   6.68 +/- 0.95   2.547% *  0.7522% (0.95   0.02   0.02) =   0.029%
          HG    LEU   71 - HN    GLU- 100   9.27 +/- 1.43   0.380% *  0.2984% (0.38   0.02   0.02) =   0.002%
          QG2   ILE   56 - HN    GLU- 100  18.62 +/- 2.14   0.011% *  0.7132% (0.90   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    GLU- 100  16.10 +/- 1.72   0.011% *  0.5144% (0.65   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    GLU- 100  20.54 +/- 1.53   0.003% *  0.7522% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    GLU- 100  18.46 +/- 1.13   0.004% *  0.2984% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    GLU- 100  19.29 +/- 1.17   0.003% *  0.3269% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1233 (1.37, 7.29, 121.74 ppm):
    15 chemical-shift based assignments, quality = 0.566, support = 0.987, residual support = 5.56:
          QB    ALA   84 - HN    LYS+  81   4.39 +/- 0.24  99.661% * 76.1165% (0.57   0.99   5.56) =  99.993%  kept
          HB3   LEU   73 - HN    LYS+  81  14.02 +/- 1.51   0.115% *  2.5149% (0.92   0.02   0.02) =   0.004%
          HB3   PRO   93 - HN    LYS+  81  16.84 +/- 2.10   0.058% *  1.6524% (0.61   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    LYS+  81  15.11 +/- 1.48   0.074% *  0.6065% (0.22   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  81  19.58 +/- 1.29   0.014% *  2.3632% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  81  22.57 +/- 2.83   0.008% *  2.7243% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  81  21.57 +/- 2.21   0.009% *  2.1815% (0.80   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  81  20.38 +/- 3.13   0.014% *  1.2214% (0.45   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  81  18.82 +/- 2.41   0.022% *  0.5391% (0.20   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  81  23.16 +/- 3.87   0.009% *  1.1200% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  81  26.50 +/- 3.87   0.003% *  2.5771% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  81  26.23 +/- 1.79   0.003% *  2.3632% (0.87   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  81  27.61 +/- 2.48   0.002% *  2.6704% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  81  22.89 +/- 1.84   0.006% *  0.4203% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  81  29.72 +/- 2.32   0.001% *  0.9293% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.27 A, kept.
 
    Peak 1234 (0.08, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 5.92, residual support = 218.1:
          QD1   ILE   89 - HN    ILE   89   2.45 +/- 0.61  96.037% * 99.3875% (0.92   5.92 218.16) =  99.985%  kept
          QG2   VAL   83 - HN    ILE   89   5.01 +/- 0.58   3.953% *  0.3627% (1.00   0.02   0.02) =   0.015%
          QD2   LEU   31 - HN    ILE   89  13.47 +/- 1.60   0.010% *  0.2497% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1235 (1.34, 7.91, 118.70 ppm):
    12 chemical-shift based assignments, quality = 0.355, support = 4.36, residual support = 9.76:
          QB    ALA   88 - HN    ILE   89   3.41 +/- 0.25  77.312% * 60.9447% (0.34   4.74   9.61) =  86.588%  kept
          QB    ALA   84 - HN    ILE   89   4.56 +/- 0.80  22.023% * 33.1191% (0.45   1.96  10.75) =  13.404%  kept
          HB3   LEU   80 - HN    ILE   89   9.02 +/- 1.58   0.554% *  0.7395% (0.98   0.02   0.02) =   0.008%
          HB3   ASP-  44 - HN    ILE   89  12.68 +/- 1.62   0.049% *  0.6302% (0.84   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    ILE   89  12.29 +/- 0.69   0.038% *  0.3102% (0.41   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ILE   89  16.12 +/- 2.90   0.011% *  0.4271% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ILE   89  17.56 +/- 1.98   0.005% *  0.7528% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ILE   89  18.41 +/- 2.33   0.004% *  0.7395% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ILE   89  20.05 +/- 1.83   0.002% *  0.6964% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ILE   89  23.80 +/- 2.21   0.001% *  0.6041% (0.80   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ILE   89  26.42 +/- 1.78   0.000% *  0.5182% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ILE   89  26.89 +/- 2.14   0.000% *  0.5182% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1236 (1.25, 8.62, 127.39 ppm):
    11 chemical-shift based assignments, quality = 0.636, support = 4.05, residual support = 35.0:
          QB    ALA   91 - HN    GLN   90   4.35 +/- 0.61  53.231% * 61.1030% (0.84   3.04  32.10) =  66.038%  kept
          HG12  ILE   89 - HN    GLN   90   4.54 +/- 0.67  46.424% * 36.0304% (0.25   6.01  40.73) =  33.960%  kept
          HG2   LYS+  74 - HN    GLN   90  13.55 +/- 2.75   0.134% *  0.4438% (0.92   0.02   0.02) =   0.001%
          QG2   ILE   56 - HN    GLN   90  12.22 +/- 2.07   0.169% *  0.1804% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    GLN   90  17.00 +/- 2.12   0.022% *  0.0951% (0.20   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    GLN   90  21.65 +/- 1.42   0.004% *  0.4015% (0.84   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    GLN   90  22.70 +/- 2.43   0.003% *  0.4807% (1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    GLN   90  22.98 +/- 2.17   0.003% *  0.4311% (0.90   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    GLN   90  19.06 +/- 1.42   0.008% *  0.1070% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    GLN   90  25.81 +/- 1.89   0.001% *  0.4547% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    GLN   90  29.62 +/- 2.08   0.001% *  0.2722% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1237 (2.24, 7.39, 112.01 ppm):
    11 chemical-shift based assignments, quality = 0.341, support = 3.05, residual support = 95.6:
      O   QG    GLN   90 - HE21  GLN   90   2.20 +/- 0.13  99.957% * 98.4545% (0.34  10.0   3.05  95.63) = 100.000%  kept
          HG3   MET   92 - HE21  GLN   90  11.57 +/- 2.70   0.039% *  0.2886% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HE21  GLN   90  13.16 +/- 1.97   0.003% *  0.1634% (0.57   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HE21  GLN   90  17.24 +/- 1.99   0.001% *  0.0571% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HE21  GLN   90  23.55 +/- 2.51   0.000% *  0.2311% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HE21  GLN   90  24.71 +/- 2.45   0.000% *  0.2829% (0.98   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HE21  GLN   90  24.15 +/- 1.71   0.000% *  0.1983% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HE21  GLN   90  22.77 +/- 2.19   0.000% *  0.0803% (0.28   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HE21  GLN   90  28.07 +/- 2.64   0.000% *  0.0643% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HE21  GLN   90  31.65 +/- 2.97   0.000% *  0.1405% (0.49   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HE21  GLN   90  28.34 +/- 1.84   0.000% *  0.0391% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (2.15, 8.62, 127.39 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 5.59, residual support = 95.6:
      O   HB2   GLN   90 - HN    GLN   90   3.65 +/- 0.53  99.615% * 99.4917% (0.73  10.0   5.59  95.63) =  99.999%  kept
          HB3   GLU-  79 - HN    GLN   90  12.11 +/- 2.29   0.378% *  0.1343% (0.98   1.0   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    GLN   90  23.59 +/- 1.57   0.002% *  0.1229% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLN   90  22.44 +/- 1.67   0.003% *  0.0721% (0.53   1.0   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLN   90  26.13 +/- 1.64   0.001% *  0.1367% (1.00   1.0   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   90  27.23 +/- 1.98   0.001% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   90  30.10 +/- 1.71   0.000% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1239 (0.77, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.863, support = 5.48, residual support = 40.3:
          QD2   LEU   73 - HN    PHE   72   3.30 +/- 0.86  90.306% * 90.1606% (0.87   5.51  40.59) =  99.188%  kept
          QG2   VAL   18 - HN    PHE   72   6.01 +/- 0.55   7.645% *  8.6513% (0.34   1.35   6.35) =   0.806%  kept
          QG1   VAL   41 - HN    PHE   72   7.70 +/- 0.87   0.941% *  0.2881% (0.76   0.02   0.02) =   0.003%
          QG1   VAL   43 - HN    PHE   72   7.73 +/- 0.77   0.825% *  0.2134% (0.57   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    PHE   72  10.61 +/- 1.10   0.158% *  0.3638% (0.97   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    PHE   72  13.78 +/- 1.41   0.038% *  0.2287% (0.61   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    PHE   72  11.71 +/- 1.28   0.087% *  0.0940% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1240 (0.40, 9.36, 127.59 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.48, residual support = 36.8:
          QB    ALA   64 - HN    PHE   72   5.51 +/- 0.80  99.649% * 99.8592% (1.00   2.48  36.83) = 100.000%  kept
          QB    ALA   47 - HN    PHE   72  16.02 +/- 0.90   0.351% *  0.1408% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 9 structures by 0.98 A, kept.
 
    Peak 1241 (2.00, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.707, support = 2.61, residual support = 8.01:
          HB    ILE   19 - HN    LYS+  74   5.45 +/- 0.71  93.941% * 95.9634% (0.71   2.61   8.02) =  99.968%  kept
          HB2   GLN   17 - HN    LYS+  74   9.82 +/- 0.83   3.267% *  0.4465% (0.43   0.02   0.02) =   0.016%
          HB3   GLU-  25 - HN    LYS+  74  11.70 +/- 0.61   1.356% *  0.5894% (0.57   0.02   0.02) =   0.009%
          QB    GLU-  15 - HN    LYS+  74  12.47 +/- 0.70   0.775% *  0.4465% (0.43   0.02   0.02) =   0.004%
          HG2   PRO   68 - HN    LYS+  74  17.04 +/- 0.93   0.117% *  0.7215% (0.69   0.02   0.02) =   0.001%
          QB    GLU- 114 - HN    LYS+  74  18.32 +/- 1.55   0.092% *  0.7345% (0.71   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    LYS+  74  17.91 +/- 1.38   0.125% *  0.2763% (0.27   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LYS+  74  18.05 +/- 1.68   0.124% *  0.2511% (0.24   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+  74  16.70 +/- 1.37   0.144% *  0.1836% (0.18   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LYS+  74  21.42 +/- 2.50   0.058% *  0.3873% (0.37   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 9 structures by 0.93 A, kept.
 
    Peak 1242 (0.60, 8.48, 121.30 ppm):
    7 chemical-shift based assignments, quality = 0.372, support = 5.48, residual support = 42.1:
          QD1   LEU   73 - HN    LYS+  74   4.71 +/- 0.23  77.372% * 97.1580% (0.37   5.49  42.16) =  99.834%  kept
          QD2   LEU   80 - HN    LYS+  74   6.76 +/- 1.99  16.644% *  0.6029% (0.64   0.02   0.02) =   0.133%
          QG1   VAL   83 - HN    LYS+  74   8.17 +/- 1.04   3.426% *  0.5138% (0.54   0.02   0.02) =   0.023%
          QD1   LEU   63 - HN    LYS+  74   9.99 +/- 1.33   1.256% *  0.3537% (0.37   0.02   0.02) =   0.006%
          QG2   ILE   89 - HN    LYS+  74  10.70 +/- 2.00   1.092% *  0.1177% (0.12   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    LYS+  74  14.57 +/- 1.58   0.128% *  0.6708% (0.71   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LYS+  74  15.04 +/- 0.99   0.082% *  0.5831% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.57 A violated in 0 structures by 0.18 A, kept.
 
    Peak 1243 (1.33, 8.52, 119.25 ppm):
    12 chemical-shift based assignments, quality = 0.344, support = 4.57, residual support = 27.8:
          QG2   THR   77 - HN    ASP-  78   4.03 +/- 0.15  80.170% * 78.0838% (0.34   4.60  27.98) =  99.073%  kept
          HB3   LEU   80 - HN    ASP-  78   7.04 +/- 0.78   3.536% * 15.8117% (0.69   0.46   4.04) =   0.885%  kept
          QB    ALA   84 - HN    ASP-  78   5.57 +/- 0.91  15.852% *  0.1534% (0.15   0.02   0.02) =   0.038%
          QB    ALA   88 - HN    ASP-  78  11.24 +/- 0.76   0.180% *  0.7221% (0.73   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HN    ASP-  78  11.39 +/- 1.32   0.227% *  0.4458% (0.45   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HN    ASP-  78  21.36 +/- 3.19   0.011% *  0.8919% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ASP-  78  19.49 +/- 1.21   0.007% *  0.8306% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ASP-  78  18.86 +/- 1.64   0.009% *  0.5630% (0.57   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ASP-  78  20.08 +/- 2.16   0.007% *  0.2214% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  78  26.85 +/- 1.18   0.001% *  0.9944% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  78  29.15 +/- 0.85   0.001% *  0.9748% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  78  26.96 +/- 1.65   0.001% *  0.3069% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1244 (0.36, 8.52, 119.25 ppm):
    3 chemical-shift based assignments, quality = 0.927, support = 0.02, residual support = 0.02:
          QB    ALA   47 - HN    ASP-  78   6.54 +/- 2.43  93.170% * 32.6601% (0.92   0.02   0.02) =  92.838%  kept
          QG1   VAL   42 - HN    ASP-  78  13.38 +/- 0.65   5.785% * 34.6797% (0.98   0.02   0.02) =   6.121%  kept
          HG2   LYS+ 112 - HN    ASP-  78  21.13 +/- 3.33   1.044% * 32.6601% (0.92   0.02   0.02) =   1.040%  kept
    Distance limit 4.52 A violated in 15 structures by 2.03 A, eliminated.
    Peak unassigned.
 
    Peak 1245 (4.26, 8.52, 119.25 ppm):
    10 chemical-shift based assignments, quality = 0.587, support = 4.32, residual support = 24.9:
          HB    THR   77 - HN    ASP-  78   3.97 +/- 0.21  79.472% * 37.3715% (0.45   4.60  27.98) =  70.856%  kept
          HA    GLU-  79 - HN    ASP-  78   5.02 +/- 0.14  20.056% * 60.9027% (0.92   3.64  17.42) =  29.141%  kept
          HA1   GLY   51 - HN    ASP-  78  14.54 +/- 2.87   0.127% *  0.3613% (1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ASP-  78  11.36 +/- 1.00   0.172% *  0.1624% (0.45   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    ASP-  78  11.83 +/- 0.77   0.126% *  0.1359% (0.38   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ASP-  78  15.07 +/- 2.39   0.040% *  0.3248% (0.90   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  78  22.12 +/- 2.23   0.004% *  0.2050% (0.57   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ASP-  78  25.58 +/- 0.70   0.001% *  0.3495% (0.97   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  78  29.90 +/- 4.59   0.001% *  0.1235% (0.34   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ASP-  78  26.32 +/- 2.05   0.001% *  0.0634% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1246 (4.83, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.57, residual support = 38.8:
      O   HA    ASP-  78 - HN    ASP-  78   2.81 +/- 0.04  99.429% * 99.8154% (1.00  10.0   4.57  38.78) = 100.000%  kept
          HA    LEU   80 - HN    ASP-  78   7.08 +/- 0.46   0.416% *  0.0486% (0.49   1.0   0.02   4.04) =   0.000%
          HA    THR   23 - HN    ASP-  78   9.33 +/- 1.03   0.089% *  0.0866% (0.87   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP-  78  10.11 +/- 1.49   0.066% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ASP-  78  22.87 +/- 1.99   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1248 (3.69, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.993, support = 8.02, residual support = 208.7:
      O   HA    ILE  119 - HN    ILE  119   2.82 +/- 0.04  77.398% * 50.7779% (1.00  10.0   8.74 254.29) =  79.275%  kept
      O   HA    THR  118 - HN    ILE  119   3.51 +/- 0.03  20.966% * 49.0042% (0.97  10.0   5.29  34.40) =  20.725%  kept
          HA    VAL   75 - HN    CYS   21   5.82 +/- 0.90   1.609% *  0.0028% (0.06   1.0   0.02   2.41) =   0.000%
          HA2   GLY  109 - HN    ILE  119  12.66 +/- 1.53   0.014% *  0.0369% (0.73   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    CYS   21  14.19 +/- 1.26   0.006% *  0.0144% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    CYS   21  20.06 +/- 3.02   0.004% *  0.0159% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ILE  119  22.95 +/- 1.93   0.000% *  0.0503% (0.99   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ILE  119  22.78 +/- 1.17   0.000% *  0.0455% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    CYS   21  19.75 +/- 1.50   0.001% *  0.0160% (0.32   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    CYS   21  21.74 +/- 1.74   0.000% *  0.0155% (0.30   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ILE  119  20.36 +/- 1.35   0.001% *  0.0089% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    CYS   21  22.46 +/- 1.77   0.000% *  0.0117% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1249 (3.82, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.718, support = 5.51, residual support = 31.2:
          HB2   CYS   53 - HN    ARG+  54   3.15 +/- 0.27  92.697% * 83.8372% (0.72   5.53  31.51) =  99.005%  kept
          HD3   PRO   52 - HN    ARG+  54   5.16 +/- 0.15   5.285% * 14.6891% (0.26   2.67   1.74) =   0.989%  kept
          HD2   PRO   58 - HN    ARG+  54   7.27 +/- 1.21   1.025% *  0.3660% (0.87   0.02   0.02) =   0.005%
          HD2   PRO   58 - HN    ASP-  62   6.87 +/- 0.52   0.959% *  0.0685% (0.16   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    ASP-  62  12.76 +/- 0.71   0.024% *  0.0567% (0.14   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ARG+  54  19.89 +/- 2.02   0.002% *  0.3439% (0.82   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ARG+  54  29.06 +/- 2.63   0.000% *  0.3312% (0.79   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  62  17.04 +/- 0.79   0.004% *  0.0206% (0.05   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  62  22.33 +/- 1.29   0.001% *  0.0620% (0.15   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ASP-  62  22.51 +/- 1.28   0.001% *  0.0643% (0.15   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ARG+  54  26.11 +/- 1.73   0.000% *  0.1352% (0.32   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  62  20.97 +/- 1.22   0.001% *  0.0253% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1250 (0.76, 7.72, 117.18 ppm):
    8 chemical-shift based assignments, quality = 0.944, support = 1.43, residual support = 3.27:
          QG2   VAL   18 - HN    ALA   61   5.77 +/- 2.06  83.952% * 94.0200% (0.95   1.43   3.27) =  99.789%  kept
          QG2   THR   46 - HN    ALA   61   9.50 +/- 1.63   9.584% *  1.2023% (0.87   0.02   0.02) =   0.146%
          QG1   VAL   43 - HN    ALA   61  12.02 +/- 0.95   1.570% *  1.3830% (1.00   0.02   0.02) =   0.027%
          QD1   ILE   19 - HN    ALA   61  12.39 +/- 1.34   1.509% *  0.7292% (0.53   0.02   0.02) =   0.014%
          QG1   VAL   41 - HN    ALA   61  15.08 +/- 0.91   0.599% *  1.2795% (0.92   0.02   0.02) =   0.010%
          QD2   LEU   73 - HN    ALA   61  11.18 +/- 1.01   2.008% *  0.3456% (0.25   0.02   0.02) =   0.009%
          QD2   LEU  104 - HN    ALA   61  15.73 +/- 1.45   0.707% *  0.5202% (0.38   0.02   0.02) =   0.005%
          HG    LEU   31 - HN    ALA   61  19.64 +/- 1.46   0.070% *  0.5202% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 10 structures by 1.37 A, kept.
 
    Peak 1251 (2.15, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 4.96, residual support = 51.5:
          QB    GLU-  36 - HN    ASN   35   4.07 +/- 0.09  95.934% * 98.3842% (0.92   4.96  51.47) =  99.992%  kept
          HB2   LYS+  38 - HN    ASN   35   7.20 +/- 0.22   3.235% *  0.1195% (0.28   0.02   0.02) =   0.004%
          HB3   GLU-  29 - HN    ASN   35   9.54 +/- 0.42   0.606% *  0.4260% (0.99   0.02   0.02) =   0.003%
          HG3   GLU-  29 - HN    ASN   35  11.34 +/- 0.56   0.220% *  0.3121% (0.73   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    ASN   35  22.25 +/- 1.40   0.004% *  0.3728% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   35  28.32 +/- 1.47   0.001% *  0.3854% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1252 (2.30, 8.48, 122.27 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 43.3:
      O   QB    MET   11 - HN    MET   11   2.96 +/- 0.38  99.825% * 99.3665% (0.69  10.0   3.00  43.34) = 100.000%  kept
          HG3   GLU-  36 - HN    MET   11  19.51 +/- 5.77   0.041% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    MET   11  10.56 +/- 1.36   0.104% *  0.0223% (0.15   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    MET   11  13.23 +/- 1.53   0.026% *  0.0361% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    MET   11  27.42 +/- 5.58   0.001% *  0.1050% (0.73   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    MET   11  24.78 +/- 5.93   0.002% *  0.0286% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    MET   11  25.81 +/- 3.54   0.001% *  0.0253% (0.18   1.0   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    MET   11  33.82 +/- 2.31   0.000% *  0.1158% (0.80   1.0   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    MET   11  37.24 +/- 5.41   0.000% *  0.0493% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    MET   11  37.65 +/- 3.86   0.000% *  0.1255% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (2.08, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 43.3:
          HG2   MET   11 - HN    MET   11   3.63 +/- 0.81  99.757% * 97.3782% (0.92   3.31  43.34) =  99.999%  kept
          HB2   GLU-  14 - HN    MET   11  11.52 +/- 1.18   0.207% *  0.6025% (0.95   0.02   0.02) =   0.001%
          QB    GLN   32 - HN    MET   11  18.94 +/- 4.89   0.026% *  0.1771% (0.28   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    MET   11  20.30 +/- 4.24   0.009% *  0.3100% (0.49   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    MET   11  26.84 +/- 5.30   0.001% *  0.1418% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    MET   11  32.83 +/- 2.06   0.000% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    MET   11  38.35 +/- 5.91   0.000% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    MET   11  32.20 +/- 3.88   0.000% *  0.1418% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1254 (1.91, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 43.3:
          HG3   MET   11 - HN    MET   11   3.15 +/- 0.59  99.898% * 98.0255% (0.92   3.31  43.34) = 100.000%  kept
          HB3   GLU-  14 - HN    MET   11  11.42 +/- 1.32   0.074% *  0.4900% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   11  19.83 +/- 4.56   0.021% *  0.2187% (0.34   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   11  23.73 +/- 4.70   0.003% *  0.1269% (0.20   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    MET   11  23.36 +/- 3.60   0.002% *  0.0989% (0.15   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    MET   11  29.66 +/- 3.83   0.000% *  0.2875% (0.45   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   11  31.34 +/- 1.78   0.000% *  0.4404% (0.69   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    MET   11  37.45 +/- 3.71   0.000% *  0.3121% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1255 (1.55, 8.48, 122.27 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 0.02, residual support = 0.02:
          HG2   LYS+  33 - HN    MET   11  17.66 +/- 4.86  70.085% * 22.9200% (1.00   0.02   0.02) =  80.852%  kept
          HD3   LYS+  74 - HN    MET   11  24.59 +/- 4.12  16.166% * 12.0587% (0.53   0.02   0.02) =   9.812%  kept
          QG    LYS+  81 - HN    MET   11  28.91 +/- 5.09   4.851% * 19.1444% (0.84   0.02   0.02) =   4.675%  kept
          HG    LEU  104 - HN    MET   11  29.94 +/- 3.89   3.842% *  8.6021% (0.38   0.02   0.02) =   1.663%  kept
          HG2   LYS+ 106 - HN    MET   11  34.54 +/- 3.28   1.513% * 17.5161% (0.76   0.02   0.02) =   1.334%  kept
          HB3   LYS+ 121 - HN    MET   11  32.61 +/- 4.09   2.527% *  8.6021% (0.38   0.02   0.02) =   1.094%  kept
          HB3   LYS+ 111 - HN    MET   11  39.00 +/- 2.99   1.016% * 11.1564% (0.49   0.02   0.02) =   0.570%  kept
    Distance limit 4.30 A violated in 20 structures by 12.02 A, eliminated.
    Peak unassigned.
 
    Peak 1256 (2.08, 8.37, 125.10 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 3.59, residual support = 12.1:
          HG2   MET   11 - HN    ALA   12   4.03 +/- 0.40  97.638% * 97.8402% (0.72   3.59  12.12) =  99.987%  kept
          HB2   GLU-  14 - HN    ALA   12   8.31 +/- 1.28   2.280% *  0.5445% (0.72   0.02   0.02) =   0.013%
          HB2   PRO   68 - HN    ALA   12  17.03 +/- 3.91   0.078% *  0.1517% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    ALA   12  35.82 +/- 4.79   0.001% *  0.5349% (0.71   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    ALA   12  29.77 +/- 1.64   0.001% *  0.5349% (0.71   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA   12  29.49 +/- 3.02   0.001% *  0.2243% (0.30   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA   12  32.48 +/- 4.55   0.002% *  0.0956% (0.13   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA   12  34.11 +/- 2.77   0.000% *  0.0739% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1257 (1.39, 8.37, 125.10 ppm):
    13 chemical-shift based assignments, quality = 0.681, support = 2.3, residual support = 12.4:
      O   QB    ALA   12 - HN    ALA   12   2.83 +/- 0.11  99.974% * 99.1918% (0.68  10.0   2.30  12.38) = 100.000%  kept
          HG3   LYS+  33 - HN    ALA   12  16.00 +/- 3.82   0.012% *  0.0992% (0.68   1.0   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   12  19.81 +/- 3.45   0.004% *  0.0876% (0.60   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   12  19.90 +/- 3.44   0.006% *  0.0470% (0.32   1.0   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   12  20.08 +/- 2.39   0.001% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   12  19.93 +/- 1.68   0.001% *  0.0940% (0.65   1.0   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ALA   12  22.69 +/- 2.89   0.001% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   12  26.30 +/- 4.23   0.000% *  0.0292% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   12  30.71 +/- 3.70   0.000% *  0.0840% (0.58   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   12  31.13 +/- 2.55   0.000% *  0.0636% (0.44   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   12  31.45 +/- 3.91   0.000% *  0.0431% (0.30   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   12  35.42 +/- 3.00   0.000% *  0.0761% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   12  29.54 +/- 2.84   0.000% *  0.0142% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1258 (1.39, 8.24, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.946, support = 1.76, residual support = 5.19:
          QB    ALA   12 - HN    SER   13   2.41 +/- 0.33  99.986% * 91.5358% (0.95   1.76   5.19) = 100.000%  kept
          HG3   LYS+  33 - HN    SER   13  15.60 +/- 3.90   0.005% *  1.0389% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   13  16.54 +/- 1.63   0.002% *  0.9849% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   13  17.64 +/- 3.04   0.002% *  0.9173% (0.84   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   13  17.73 +/- 2.36   0.001% *  0.9849% (0.90   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    SER   13  17.22 +/- 2.86   0.003% *  0.4924% (0.45   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    SER   13  21.32 +/- 2.78   0.000% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    SER   13  24.33 +/- 3.52   0.000% *  0.3053% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   13  29.60 +/- 3.27   0.000% *  0.8794% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   13  28.90 +/- 2.30   0.000% *  0.6661% (0.61   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    SER   13  29.01 +/- 3.75   0.000% *  0.4515% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   13  32.19 +/- 3.06   0.000% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    SER   13  26.55 +/- 2.44   0.000% *  0.1486% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1259 (3.88, 8.32, 122.30 ppm):
    6 chemical-shift based assignments, quality = 0.451, support = 2.47, residual support = 6.68:
          QB    SER   13 - HN    GLU-  14   3.20 +/- 0.63  99.882% * 95.5809% (0.45   2.47   6.68) =  99.999%  kept
          HB    THR   39 - HN    GLU-  14  13.34 +/- 2.64   0.069% *  0.8212% (0.48   0.02   0.02) =   0.001%
          HB3   SER   37 - HN    GLU-  14  13.91 +/- 2.96   0.048% *  0.9986% (0.58   0.02   0.02) =   0.000%
          HB    THR  118 - HN    GLU-  14  24.97 +/- 1.74   0.001% *  1.1929% (0.70   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLU-  14  29.25 +/- 3.24   0.000% *  0.9986% (0.58   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLU-  14  26.33 +/- 2.61   0.001% *  0.4078% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1260 (2.26, 8.32, 122.30 ppm):
    10 chemical-shift based assignments, quality = 0.522, support = 3.75, residual support = 43.8:
          QG    GLU-  14 - HN    GLU-  14   3.44 +/- 0.96  76.620% * 71.7608% (0.53   3.96  48.27) =  90.403%  kept
          QG    GLU-  15 - HN    GLU-  14   4.83 +/- 1.08  22.657% * 25.7571% (0.42   1.79   1.19) =   9.595%  kept
          QB    MET   11 - HN    GLU-  14   8.28 +/- 0.68   0.647% *  0.0939% (0.14   0.02   0.02) =   0.001%
          HB3   PHE   72 - HN    GLU-  14  12.25 +/- 1.46   0.055% *  0.3965% (0.58   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLU-  14  16.60 +/- 2.81   0.011% *  0.3447% (0.51   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  14  17.80 +/- 1.86   0.006% *  0.3447% (0.51   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  14  22.94 +/- 1.53   0.001% *  0.4704% (0.69   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  14  28.06 +/- 2.72   0.000% *  0.4257% (0.62   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  14  24.83 +/- 1.66   0.001% *  0.1184% (0.17   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  14  30.39 +/- 1.95   0.000% *  0.2879% (0.42   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1261 (2.08, 8.32, 122.30 ppm):
    8 chemical-shift based assignments, quality = 0.695, support = 3.76, residual support = 48.3:
      O   HB2   GLU-  14 - HN    GLU-  14   3.37 +/- 0.47  99.488% * 99.6047% (0.70  10.0   3.76  48.27) = 100.000%  kept
          HG2   MET   11 - HN    GLU-  14   9.72 +/- 0.80   0.257% *  0.0998% (0.70   1.0   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLU-  14  12.07 +/- 3.54   0.250% *  0.0278% (0.19   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU-  14  23.97 +/- 1.04   0.001% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU-  14  30.44 +/- 3.54   0.001% *  0.0978% (0.68   1.0   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLU-  14  24.19 +/- 1.79   0.001% *  0.0410% (0.29   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  14  27.01 +/- 3.57   0.002% *  0.0175% (0.12   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  14  28.93 +/- 1.68   0.000% *  0.0135% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1262 (1.93, 8.32, 122.30 ppm):
    5 chemical-shift based assignments, quality = 0.625, support = 3.76, residual support = 48.3:
      O   HB3   GLU-  14 - HN    GLU-  14   3.25 +/- 0.24  99.815% * 99.6986% (0.62  10.0   3.76  48.27) = 100.000%  kept
          HG3   MET   11 - HN    GLU-  14   9.78 +/- 0.89   0.173% *  0.0807% (0.51   1.0   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    GLU-  14  15.87 +/- 1.96   0.010% *  0.0850% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    GLU-  14  22.19 +/- 1.80   0.001% *  0.1109% (0.70   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    GLU-  14  27.24 +/- 3.63   0.001% *  0.0247% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 5.5, residual support = 84.5:
          QG    GLN   17 - HN    GLN   17   2.60 +/- 0.52  99.821% * 98.8144% (1.00   5.50  84.50) =  99.999%  kept
          HB    VAL   70 - HN    GLN   17   8.64 +/- 1.49   0.170% *  0.3528% (0.98   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    GLN   17  16.57 +/- 0.79   0.003% *  0.2328% (0.65   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    GLN   17  19.44 +/- 0.58   0.001% *  0.3567% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   17  18.43 +/- 1.37   0.001% *  0.1001% (0.28   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    GLN   17  17.90 +/- 1.19   0.002% *  0.0630% (0.18   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLN   17  19.93 +/- 1.70   0.001% *  0.0801% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 5.02, residual support = 80.9:
      O   HB2   GLN   17 - HN    GLN   17   3.82 +/- 0.15  60.540% * 91.6411% (0.92  10.0   5.17  84.50) =  95.765%  kept
          QB    GLU-  15 - HN    GLN   17   4.30 +/- 0.25  31.151% *  7.8577% (0.92   1.0   1.71   0.02) =   4.225%  kept
          HB3   PRO   68 - HN    GLN   17   8.85 +/- 3.20   4.600% *  0.0562% (0.57   1.0   0.02   0.02) =   0.004%
          HB    ILE   19 - HN    GLN   17   6.66 +/- 0.82   3.171% *  0.0795% (0.80   1.0   0.02   0.02) =   0.004%
          HG2   PRO   68 - HN    GLN   17   9.93 +/- 2.06   0.486% *  0.0721% (0.73   1.0   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    GLN   17  12.98 +/- 1.12   0.046% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN   17  20.18 +/- 0.70   0.003% *  0.0991% (1.00   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLN   17  20.67 +/- 1.43   0.003% *  0.0861% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLN   17  24.19 +/- 1.98   0.001% *  0.0861% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1265 (1.79, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 5.17, residual support = 84.5:
      O   HB3   GLN   17 - HN    GLN   17   3.18 +/- 0.35  98.355% * 99.6298% (0.98  10.0   5.17  84.50) =  99.999%  kept
          QB    LYS+  65 - HN    GLN   17   7.55 +/- 1.71   1.274% *  0.0738% (0.73   1.0   0.02   0.02) =   0.001%
          HB2   LEU   71 - HN    GLN   17  10.19 +/- 1.37   0.127% *  0.0777% (0.76   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    GLN   17   9.46 +/- 1.24   0.227% *  0.0178% (0.18   1.0   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   17  15.60 +/- 0.75   0.008% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   17  17.69 +/- 1.56   0.005% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    GLN   17  20.68 +/- 1.34   0.002% *  0.0616% (0.61   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    GLN   17  19.81 +/- 1.49   0.002% *  0.0381% (0.38   1.0   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   17  24.06 +/- 0.99   0.001% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1266 (2.01, 8.66, 110.73 ppm):
    12 chemical-shift based assignments, quality = 0.974, support = 1.96, residual support = 6.19:
          QB    GLU-  15 - HN    GLY   16   2.61 +/- 0.49  89.711% * 39.2113% (0.98   1.94   6.04) =  98.406%  kept
          HB2   GLN   17 - HN    GLY   16   6.17 +/- 0.19   0.922% * 58.5996% (0.98   2.90  16.49) =   1.511%  kept
          HB3   PRO   68 - HN    GLY   16   7.14 +/- 3.41   8.853% *  0.3233% (0.78   0.02   0.02) =   0.080%
          HB    ILE   19 - HN    GLY   16   7.84 +/- 0.86   0.249% *  0.2286% (0.55   0.02   0.02) =   0.002%
          HG2   PRO   68 - HN    GLY   16   8.30 +/- 2.39   0.238% *  0.1965% (0.47   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    GLY   16  13.49 +/- 1.29   0.011% *  0.1660% (0.40   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    GLY   16  13.56 +/- 1.55   0.012% *  0.0707% (0.17   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLY   16  21.43 +/- 0.96   0.001% *  0.3820% (0.92   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLY   16  21.08 +/- 1.47   0.001% *  0.2612% (0.63   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLY   16  17.57 +/- 1.40   0.002% *  0.0707% (0.17   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLY   16  24.87 +/- 1.83   0.000% *  0.4002% (0.97   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLY   16  20.08 +/- 1.85   0.001% *  0.0899% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1267 (2.19, 8.27, 122.56 ppm):
    6 chemical-shift based assignments, quality = 0.701, support = 5.81, residual support = 50.1:
          QG    GLN   17 - HN    VAL   18   3.63 +/- 0.30  99.705% * 98.7512% (0.70   5.81  50.10) =  99.999%  kept
          HB    VAL   70 - HN    VAL   18  10.44 +/- 1.15   0.256% *  0.3028% (0.62   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HN    VAL   18  17.93 +/- 0.42   0.008% *  0.3910% (0.81   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    VAL   18  15.29 +/- 0.84   0.021% *  0.1167% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    VAL   18  20.85 +/- 0.90   0.003% *  0.3215% (0.66   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   18  18.45 +/- 1.20   0.007% *  0.1167% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1268 (1.97, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 4.99, residual support = 77.1:
      O   HB    VAL   18 - HN    VAL   18   2.52 +/- 0.40  99.237% * 99.4605% (0.70  10.0   4.99  77.06) = 100.000%  kept
          HB2   LEU   67 - HN    VAL   18   8.99 +/- 1.43   0.152% *  0.1296% (0.91   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    VAL   18   6.39 +/- 0.38   0.591% *  0.0305% (0.21   1.0   0.02  22.49) =   0.000%
          HG3   PRO   58 - HN    VAL   18  14.93 +/- 1.86   0.004% *  0.1264% (0.89   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    VAL   18  12.64 +/- 1.42   0.012% *  0.0381% (0.27   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    VAL   18  17.45 +/- 1.73   0.001% *  0.1296% (0.91   1.0   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    VAL   18  17.24 +/- 2.75   0.002% *  0.0614% (0.43   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    VAL   18  19.03 +/- 1.57   0.001% *  0.0240% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1269 (1.81, 8.27, 122.56 ppm):
    10 chemical-shift based assignments, quality = 0.329, support = 5.47, residual support = 50.1:
          HB3   GLN   17 - HN    VAL   18   3.52 +/- 0.44  97.297% * 93.7820% (0.33   5.47  50.10) =  99.974%  kept
          QB    LYS+  65 - HN    VAL   18   7.80 +/- 2.22   2.277% *  0.9012% (0.87   0.02   0.02) =   0.022%
          QB    LYS+  66 - HN    VAL   18  10.37 +/- 1.47   0.217% *  0.8393% (0.81   0.02   0.02) =   0.002%
          HB2   LEU   71 - HN    VAL   18  11.08 +/- 0.88   0.151% *  0.8716% (0.84   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    VAL   18  15.18 +/- 1.26   0.028% *  0.6500% (0.62   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   18  16.50 +/- 1.45   0.013% *  0.9959% (0.96   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   18  21.13 +/- 0.67   0.002% *  0.9697% (0.93   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    VAL   18  20.22 +/- 1.28   0.004% *  0.4891% (0.47   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   18  19.06 +/- 2.11   0.005% *  0.2506% (0.24   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   18  19.55 +/- 1.65   0.005% *  0.2506% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1270 (0.76, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.91, support = 5.26, residual support = 76.6:
          QG2   VAL   18 - HN    VAL   18   2.32 +/- 0.65  97.610% * 72.2718% (0.91   5.27  77.06) =  99.205%  kept
          QD1   ILE   19 - HN    VAL   18   6.44 +/- 1.17   2.122% * 26.6299% (0.51   3.49  22.49) =   0.795%  kept
          QD2   LEU   73 - HN    VAL   18   7.67 +/- 0.57   0.195% *  0.0723% (0.24   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   18  10.39 +/- 1.78   0.044% *  0.2515% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   43 - HN    VAL   18  11.64 +/- 0.73   0.016% *  0.2893% (0.96   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    VAL   18  13.42 +/- 0.85   0.009% *  0.2676% (0.89   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   18  16.96 +/- 1.17   0.002% *  0.1088% (0.36   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   18  16.49 +/- 0.81   0.002% *  0.1088% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1271 (0.41, 8.27, 122.56 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 2.25, residual support = 8.61:
          QB    ALA   64 - HN    VAL   18   4.05 +/- 1.45  99.556% * 99.8615% (0.84   2.25   8.61) =  99.999%  kept
          QD1   LEU  115 - HN    VAL   18  12.89 +/- 1.52   0.444% *  0.1385% (0.13   0.02   0.02) =   0.001%
    Distance limit 4.27 A violated in 1 structures by 0.33 A, kept.
 
    Peak 1272 (7.24, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.436, support = 4.21, residual support = 20.2:
          HN    PHE   59 - HN    PHE   60   2.78 +/- 0.18  90.234% * 64.3337% (0.44   4.25  20.42) =  97.677%  kept
          QE    PHE   59 - HN    THR  118   4.53 +/- 0.89   7.332% * 14.4823% (0.16   2.64  10.14) =   1.787%  kept
          QE    PHE   59 - HN    PHE   60   5.72 +/- 0.65   1.772% * 17.9271% (0.28   1.85  20.42) =   0.534%  kept
          HN    HIS  122 - HN    THR  118   6.85 +/- 0.18   0.431% *  0.1449% (0.21   0.02   4.25) =   0.001%
          HN    PHE   59 - HN    THR  118   9.65 +/- 1.17   0.078% *  0.1712% (0.25   0.02  10.14) =   0.000%
          HN    LYS+  66 - HN    PHE   60   8.76 +/- 0.33   0.100% *  0.0561% (0.08   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    PHE   60  11.69 +/- 0.68   0.018% *  0.2564% (0.37   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    GLU-  15  11.90 +/- 1.36   0.018% *  0.1201% (0.18   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    GLU-  15  17.51 +/- 1.50   0.002% *  0.4161% (0.61   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    GLU-  15  19.07 +/- 1.34   0.001% *  0.6490% (0.95   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    GLU-  15  20.26 +/- 2.24   0.001% *  0.5493% (0.80   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    PHE   60  18.77 +/- 2.27   0.002% *  0.2325% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    THR  118  13.27 +/- 1.47   0.010% *  0.0317% (0.05   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    GLU-  15  23.68 +/- 2.22   0.000% *  0.4982% (0.73   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    THR  118  20.04 +/- 3.01   0.001% *  0.1314% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1273 (7.72, 8.20, 120.98 ppm):
    18 chemical-shift based assignments, quality = 0.467, support = 5.24, residual support = 41.9:
          HN    ALA   61 - HN    PHE   60   2.70 +/- 0.12  99.966% * 94.9949% (0.47   5.24  41.95) = 100.000%  kept
          HN    ALA   61 - HN    GLU-  15  15.05 +/- 1.47   0.004% *  0.7762% (1.00   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    THR  118  12.49 +/- 0.85   0.011% *  0.2047% (0.26   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    PHE   60  16.40 +/- 1.88   0.003% *  0.3591% (0.46   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLU-  15  16.97 +/- 1.33   0.002% *  0.5932% (0.76   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLU-  15  15.17 +/- 2.06   0.005% *  0.1536% (0.20   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    PHE   60  18.89 +/- 1.66   0.001% *  0.3142% (0.40   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    PHE   60  19.17 +/- 1.42   0.001% *  0.2769% (0.36   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR  118  19.08 +/- 1.50   0.001% *  0.2029% (0.26   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR  118  19.47 +/- 2.24   0.001% *  0.1776% (0.23   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    PHE   60  17.45 +/- 1.29   0.002% *  0.0634% (0.08   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLU-  15  26.36 +/- 2.17   0.000% *  0.6733% (0.87   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLU-  15  27.76 +/- 2.13   0.000% *  0.7694% (0.99   0.02   0.02) =   0.000%
          HN    THR   39 - HN    PHE   60  20.70 +/- 1.53   0.001% *  0.0717% (0.09   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    THR  118  24.43 +/- 1.57   0.000% *  0.1565% (0.20   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLU-  15  24.63 +/- 1.87   0.000% *  0.1359% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    THR  118  20.16 +/- 1.54   0.001% *  0.0359% (0.05   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR  118  22.06 +/- 1.67   0.000% *  0.0405% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1274 (2.97, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.467, support = 4.94, residual support = 72.0:
      O   HB3   PHE   60 - HN    PHE   60   2.70 +/- 0.40  99.514% * 98.9222% (0.47  10.0   4.94  72.03) = 100.000%  kept
          QE    LYS+ 106 - HN    THR  118   8.40 +/- 1.18   0.287% *  0.0529% (0.25   1.0   0.02   2.89) =   0.000%
          HB2   PHE   97 - HN    THR  118   9.66 +/- 1.25   0.138% *  0.0294% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    GLU-  15  15.78 +/- 1.73   0.006% *  0.2120% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    THR  118  12.09 +/- 1.05   0.019% *  0.0559% (0.26   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    PHE   60  12.51 +/- 1.68   0.019% *  0.0520% (0.25   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    PHE   60  13.65 +/- 1.13   0.008% *  0.0936% (0.44   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    GLU-  15  16.65 +/- 1.45   0.003% *  0.1032% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   60  17.07 +/- 1.44   0.003% *  0.0482% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    GLU-  15  20.05 +/- 1.50   0.001% *  0.1115% (0.53   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    GLU-  15  23.39 +/- 1.26   0.000% *  0.2005% (0.95   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    GLU-  15  19.98 +/- 1.90   0.001% *  0.0529% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    THR  118  21.77 +/- 1.60   0.001% *  0.0272% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    PHE   60  24.11 +/- 1.72   0.000% *  0.0247% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    THR  118  25.09 +/- 1.70   0.000% *  0.0139% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1275 (3.15, 8.20, 120.98 ppm):
    6 chemical-shift based assignments, quality = 0.39, support = 4.01, residual support = 20.4:
          HB3   PHE   59 - HN    PHE   60   3.58 +/- 0.39  98.757% * 96.9709% (0.39   4.01  20.42) =  99.996%  kept
          HB3   PHE   59 - HN    THR  118   7.87 +/- 0.91   1.227% *  0.2733% (0.22   0.02  10.14) =   0.004%
          HB3   PHE   59 - HN    GLU-  15  19.77 +/- 1.11   0.004% *  1.0364% (0.84   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    PHE   60  17.33 +/- 0.96   0.009% *  0.4637% (0.37   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    GLU-  15  28.23 +/- 3.66   0.001% *  0.9936% (0.80   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    THR  118  23.39 +/- 2.12   0.002% *  0.2620% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.08 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 = 2.85, residual support = 5.34:
        T HN    SER  117 - HN    THR  118   2.72 +/- 0.18  99.970% * 97.7507% (0.17 10.00   2.85   5.34) = 100.000%  kept
        T HN    SER  117 - HN    PHE   60  11.35 +/- 0.56   0.022% *  1.7701% (0.30 10.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    PHE   60  13.88 +/- 0.89   0.007% *  0.1969% (0.34  1.00   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    THR  118  20.03 +/- 1.55   0.001% *  0.1088% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    PHE   60  22.21 +/- 1.87   0.000% *  0.1117% (0.19  1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    THR  118  27.16 +/- 1.71   0.000% *  0.0617% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1278 (0.24, 8.17, 120.70 ppm):
    2 chemical-shift based assignments, quality = 0.129, support = 4.15, residual support = 36.1:
          QG2   THR  118 - HN    THR  118   3.61 +/- 0.11  98.757% * 99.1354% (0.13   4.15  36.15) =  99.989%  kept
          QG2   THR  118 - HN    PHE   60   7.77 +/- 0.90   1.243% *  0.8646% (0.23   0.02   0.02) =   0.011%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1279 (3.90, 8.17, 120.70 ppm):
    6 chemical-shift based assignments, quality = 0.133, support = 4.22, residual support = 53.0:
      O   HB    THR  118 - HN    THR  118   2.20 +/- 0.13  61.935% * 18.8473% (0.05  10.0   3.56  36.15) =  49.841%  kept
      O   HA    PHE   60 - HN    PHE   60   2.81 +/- 0.04  14.302% * 79.4096% (0.22  10.0   4.94  72.03) =  48.490%  kept
          QB    SER  117 - HN    THR  118   2.62 +/- 0.29  23.741% *  1.6461% (0.03   1.0   3.15   5.34) =   1.669%  kept
          HB    THR  118 - HN    PHE   60   9.27 +/- 0.95   0.014% *  0.0341% (0.09   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    THR  118  10.69 +/- 0.96   0.006% *  0.0439% (0.12   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  11.76 +/- 0.57   0.003% *  0.0189% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1280 (3.69, 8.17, 120.70 ppm):
    14 chemical-shift based assignments, quality = 0.144, support = 3.59, residual support = 36.1:
      O   HA    THR  118 - HN    THR  118   2.84 +/- 0.04  87.714% * 75.4114% (0.14  10.0   3.58  36.15) =  99.016%  kept
          HA    ILE  119 - HN    THR  118   5.06 +/- 0.11   2.773% * 23.6037% (0.17   1.0   5.33  34.40) =   0.980%  kept
          HD3   PRO   58 - HN    PHE   60   4.20 +/- 0.30   9.223% *  0.0313% (0.06   1.0   0.02   0.02) =   0.004%
          HA    ILE  119 - HN    PHE   60   8.36 +/- 0.76   0.152% *  0.1603% (0.30   1.0   0.02   0.02) =   0.000%
          HA    THR  118 - HN    PHE   60  11.55 +/- 0.81   0.021% *  0.1366% (0.26   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    THR  118  11.09 +/- 1.73   0.057% *  0.0442% (0.08   1.0   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    PHE   60  13.46 +/- 1.15   0.009% *  0.0801% (0.15   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    THR  118  11.04 +/- 1.29   0.038% *  0.0173% (0.03   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    PHE   60  14.11 +/- 1.56   0.009% *  0.0671% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    PHE   60  16.77 +/- 1.16   0.002% *  0.1493% (0.28   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    PHE   60  18.43 +/- 1.60   0.001% *  0.1156% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    THR  118  22.61 +/- 2.16   0.000% *  0.0824% (0.16   1.0   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    THR  118  20.55 +/- 1.67   0.001% *  0.0370% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    THR  118  22.10 +/- 1.33   0.000% *  0.0638% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (4.35, 8.18, 120.93 ppm):
    18 chemical-shift based assignments, quality = 0.989, support = 4.01, residual support = 20.4:
      O   HA    PHE   59 - HN    PHE   60   3.60 +/- 0.04  80.850% * 99.4803% (0.99  10.0   4.01  20.42) =  99.995%  kept
          HA    ILE   56 - HN    PHE   60   5.10 +/- 0.97  16.131% *  0.0154% (0.15   1.0   0.02   4.31) =   0.003%
          HA    ASP- 113 - HN    THR  118   6.82 +/- 0.70   2.068% *  0.0487% (0.48   1.0   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    THR  118   8.30 +/- 1.07   0.696% *  0.0802% (0.80   1.0   0.02  10.14) =   0.001%
          HA    ASP- 113 - HN    PHE   60  12.66 +/- 0.78   0.046% *  0.0605% (0.60   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    THR  118  10.53 +/- 1.32   0.168% *  0.0124% (0.12   1.0   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU-  15  18.08 +/- 1.11   0.006% *  0.0396% (0.39   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   60  18.05 +/- 1.74   0.007% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    THR  118  16.81 +/- 1.32   0.009% *  0.0223% (0.22   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    PHE   60  20.20 +/- 1.22   0.003% *  0.0605% (0.60   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    THR  118  21.11 +/- 1.67   0.002% *  0.0487% (0.48   1.0   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU-  15  18.67 +/- 1.90   0.005% *  0.0110% (0.11   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU-  15  19.20 +/- 1.92   0.004% *  0.0069% (0.07   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   60  23.35 +/- 1.40   0.001% *  0.0175% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    THR  118  23.87 +/- 1.50   0.001% *  0.0141% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  15  21.72 +/- 1.30   0.002% *  0.0061% (0.06   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU-  15  27.70 +/- 1.78   0.000% *  0.0240% (0.24   1.0   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU-  15  28.24 +/- 1.91   0.000% *  0.0240% (0.24   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.53 A, kept.
 
    Peak 1283 (3.91, 8.18, 120.93 ppm):
    15 chemical-shift based assignments, quality = 0.907, support = 4.79, residual support = 66.5:
      O   HA    PHE   60 - HN    PHE   60   2.81 +/- 0.04  39.248% * 94.1624% (0.96  10.0   4.94  72.03) =  91.667%  kept
          QB    SER  117 - HN    THR  118   2.62 +/- 0.29  60.552% *  5.5485% (0.36   1.0   3.15   5.34) =   8.333%  kept
          HA    LYS+ 121 - HN    THR  118   7.13 +/- 0.33   0.153% *  0.0138% (0.14   1.0   0.02   9.74) =   0.000%
          HA    PHE   60 - HN    THR  118  10.69 +/- 0.96   0.015% *  0.0759% (0.77   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  11.76 +/- 0.57   0.007% *  0.0437% (0.44   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    PHE   60  11.52 +/- 1.09   0.010% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    PHE   60  13.32 +/- 1.09   0.004% *  0.0217% (0.22   1.0   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    GLU-  15  15.13 +/- 1.27   0.002% *  0.0374% (0.38   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    THR  118  12.87 +/- 1.10   0.005% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   60  14.50 +/- 0.68   0.002% *  0.0171% (0.17   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR  118  19.48 +/- 2.03   0.001% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLU-  15  23.67 +/- 1.30   0.000% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    GLU-  15  26.58 +/- 3.49   0.000% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLU-  15  23.13 +/- 2.36   0.000% *  0.0068% (0.07   1.0   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLU-  15  23.25 +/- 1.41   0.000% *  0.0053% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 0.452, support = 2.92, residual support = 13.8:
          QG    GLU-  14 - HN    GLU-  15   3.24 +/- 0.76  48.527% * 14.9809% (0.36   2.13   1.19) =  40.458%  kept
          QG    GLU-  15 - HN    GLU-  15   3.37 +/- 0.64  40.526% * 13.4234% (0.32   2.20  10.76) =  30.275%  kept
          HG12  ILE  119 - HN    THR  118   4.42 +/- 0.32   7.924% * 66.3126% (0.72   4.78  34.40) =  29.243%  kept
          HG12  ILE  119 - HN    PHE   60   6.91 +/- 0.67   0.632% *  0.3441% (0.89   0.02   0.02) =   0.012%
          HB2   ASP- 105 - HN    THR  118   6.16 +/- 1.29   1.881% *  0.0418% (0.11   0.02   5.16) =   0.004%
          HB2   ASP-  44 - HN    PHE   60   8.05 +/- 1.38   0.217% *  0.3441% (0.89   0.02   0.25) =   0.004%
          HB3   PHE   72 - HN    PHE   60   9.28 +/- 1.11   0.110% *  0.3703% (0.96   0.02  10.50) =   0.002%
          HB3   PHE   72 - HN    GLU-  15  10.05 +/- 1.37   0.073% *  0.1473% (0.38   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    THR  118  14.29 +/- 1.25   0.008% *  0.2773% (0.72   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLU-  15  11.01 +/- 0.93   0.036% *  0.0521% (0.13   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    PHE   60  15.03 +/- 1.06   0.005% *  0.3072% (0.79   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    PHE   60  12.40 +/- 1.35   0.029% *  0.0519% (0.13   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    PHE   60  13.71 +/- 2.11   0.009% *  0.1577% (0.41   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    THR  118  15.89 +/- 1.31   0.004% *  0.2984% (0.77   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    PHE   60  16.61 +/- 1.59   0.003% *  0.3542% (0.91   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    THR  118  15.50 +/- 2.19   0.006% *  0.1271% (0.33   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  15  15.65 +/- 1.27   0.004% *  0.1369% (0.35   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   60  17.84 +/- 1.72   0.001% *  0.3803% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR  118  20.09 +/- 2.06   0.001% *  0.2476% (0.64   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    THR  118  20.60 +/- 1.28   0.001% *  0.3065% (0.79   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLU-  15  17.01 +/- 1.57   0.002% *  0.0803% (0.21   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  15  20.32 +/- 1.56   0.001% *  0.1369% (0.35   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR  118  23.10 +/- 1.61   0.000% *  0.2855% (0.74   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   60  23.03 +/- 1.35   0.000% *  0.2019% (0.52   0.02   0.02) =   0.000%
          QB    MET   11 - HN    PHE   60  24.98 +/- 1.59   0.000% *  0.1309% (0.34   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  15  26.64 +/- 2.25   0.000% *  0.1512% (0.39   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    THR  118  27.93 +/- 1.42   0.000% *  0.1627% (0.42   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  15  22.75 +/- 1.53   0.000% *  0.0207% (0.05   0.02   0.02) =   0.000%
          QB    MET   11 - HN    THR  118  30.41 +/- 2.00   0.000% *  0.1055% (0.27   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  15  28.00 +/- 1.45   0.000% *  0.0627% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1287 (1.99, 8.18, 120.93 ppm):
    30 chemical-shift based assignments, quality = 0.0759, support = 2.02, residual support = 10.5:
      O   QB    GLU-  15 - HN    GLU-  15   3.01 +/- 0.34  85.581% * 49.0647% (0.06  10.0   2.06  10.76) =  97.239%  kept
          QB    GLU- 114 - HN    THR  118   4.81 +/- 0.59   7.473% * 10.5405% (0.48   1.0   0.54   0.02) =   1.824%  kept
          HG3   PRO   58 - HN    PHE   60   6.31 +/- 0.37   1.182% * 32.4871% (0.89   1.0   0.91   0.02) =   0.889%  kept
          HB2   LEU  115 - HN    THR  118   5.68 +/- 0.31   2.283% *  0.5590% (0.69   1.0   0.02   0.02) =   0.030%
          HB2   LEU  115 - HN    PHE   60   7.87 +/- 0.77   0.390% *  0.6936% (0.86   1.0   0.02   0.02) =   0.006%
          HB    ILE   19 - HN    GLU-  15   8.27 +/- 1.52   1.153% *  0.2184% (0.27   1.0   0.02   0.02) =   0.006%
          HB2   GLN   17 - HN    GLU-  15   6.50 +/- 0.63   1.183% *  0.0491% (0.06   1.0   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    THR  118  11.96 +/- 2.20   0.088% *  0.5779% (0.72   1.0   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    PHE   60   9.24 +/- 1.71   0.176% *  0.1994% (0.25   1.0   0.02   1.00) =   0.001%
          QB    GLU- 114 - HN    PHE   60  11.00 +/- 0.99   0.052% *  0.4850% (0.60   1.0   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    GLU-  15  10.18 +/- 2.12   0.138% *  0.1548% (0.19   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    PHE   60  10.83 +/- 0.93   0.050% *  0.3892% (0.48   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  15  11.67 +/- 2.66   0.073% *  0.2430% (0.30   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    PHE   60  14.18 +/- 2.04   0.013% *  0.6111% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    PHE   60  13.79 +/- 1.22   0.013% *  0.5492% (0.68   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    GLU-  15   9.94 +/- 0.72   0.088% *  0.0793% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    THR  118  14.50 +/- 2.66   0.014% *  0.3137% (0.39   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    THR  118  16.36 +/- 2.60   0.008% *  0.4925% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    PHE   60  12.21 +/- 1.47   0.027% *  0.1234% (0.15   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   60  14.94 +/- 0.83   0.007% *  0.1234% (0.15   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    THR  118  20.43 +/- 1.56   0.001% *  0.4426% (0.55   1.0   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    THR  118  17.79 +/- 1.63   0.003% *  0.1607% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    GLU-  15  21.37 +/- 1.52   0.001% *  0.2852% (0.35   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR  118  20.13 +/- 1.64   0.001% *  0.0994% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    GLU-  15  23.65 +/- 1.48   0.000% *  0.2758% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   60  23.56 +/- 1.49   0.000% *  0.2223% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR  118  20.72 +/- 1.46   0.001% *  0.0994% (0.12   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU-  15  20.69 +/- 1.31   0.001% *  0.0884% (0.11   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  15  24.25 +/- 1.45   0.000% *  0.1929% (0.24   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    THR  118  29.17 +/- 1.68   0.000% *  0.1792% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1288 (1.69, 8.20, 120.98 ppm):
    30 chemical-shift based assignments, quality = 0.0921, support = 2.16, residual support = 4.3:
          QG1   ILE   56 - HN    PHE   60   3.89 +/- 0.80  89.605% * 44.9786% (0.09   2.17   4.31) =  99.692%  kept
          HG3   PRO   93 - HN    PHE   60   9.29 +/- 2.35   4.160% *  1.6019% (0.36   0.02   0.02) =   0.165%
          QD    LYS+ 106 - HN    THR  118   8.66 +/- 1.19   1.541% *  0.9894% (0.22   0.02   2.89) =   0.038%
          HD2   LYS+ 111 - HN    THR  118  10.25 +/- 1.83   0.816% *  1.1610% (0.26   0.02   0.02) =   0.023%
          HB2   LEU  123 - HN    THR  118   9.06 +/- 0.36   0.878% *  0.9485% (0.21   0.02   0.02) =   0.021%
          HB2   LEU   73 - HN    GLU-  15  13.50 +/- 1.56   0.112% *  4.3344% (0.97   0.02   0.02) =   0.012%
          QG1   ILE   56 - HN    THR  118   8.31 +/- 0.87   1.971% *  0.2344% (0.05   0.02   0.02) =   0.011%
          HB3   MET   92 - HN    PHE   60  12.27 +/- 1.59   0.161% *  2.0961% (0.47   0.02   0.02) =   0.008%
          HB2   LEU   73 - HN    PHE   60  13.58 +/- 1.39   0.118% *  2.0229% (0.45   0.02   1.67) =   0.006%
          QD    LYS+ 106 - HN    PHE   60  13.34 +/- 1.25   0.108% *  1.7508% (0.39   0.02   0.02) =   0.005%
          HB2   LEU  123 - HN    PHE   60  13.88 +/- 1.19   0.100% *  1.6784% (0.37   0.02   0.02) =   0.004%
          HD2   LYS+ 111 - HN    PHE   60  14.12 +/- 1.30   0.073% *  2.0546% (0.46   0.02   0.02) =   0.004%
          HG3   PRO   93 - HN    THR  118  13.60 +/- 1.77   0.084% *  0.9052% (0.20   0.02   0.02) =   0.002%
          HB3   MET   92 - HN    THR  118  13.93 +/- 1.63   0.062% *  1.1845% (0.26   0.02   0.02) =   0.002%
          QD    LYS+  99 - HN    GLU-  15  17.63 +/- 2.03   0.020% *  3.5963% (0.80   0.02   0.02) =   0.002%
          QD    LYS+  99 - HN    PHE   60  16.68 +/- 1.99   0.036% *  1.6784% (0.37   0.02   0.02) =   0.001%
          QD    LYS+  99 - HN    THR  118  14.24 +/- 1.23   0.060% *  0.9485% (0.21   0.02   0.02) =   0.001%
          HB2   LEU  123 - HN    GLU-  15  21.68 +/- 2.37   0.006% *  3.5963% (0.80   0.02   0.02) =   0.001%
          QD    LYS+  38 - HN    GLU-  15  18.40 +/- 2.27   0.016% *  0.9999% (0.22   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    THR  118  16.59 +/- 1.82   0.022% *  0.6706% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    THR  118  19.07 +/- 1.71   0.012% *  1.1431% (0.25   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    GLU-  15  23.29 +/- 1.02   0.003% *  3.7514% (0.84   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    GLU-  15  23.59 +/- 1.58   0.003% *  3.4323% (0.76   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    GLU-  15  18.79 +/- 1.42   0.010% *  0.8888% (0.20   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    PHE   60  20.55 +/- 1.45   0.007% *  1.1867% (0.26   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    GLU-  15  24.13 +/- 1.89   0.003% *  2.5427% (0.57   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    GLU-  15  26.47 +/- 1.38   0.001% *  4.4913% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    GLU-  15  29.79 +/- 2.08   0.001% *  4.4023% (0.98   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    PHE   60  21.84 +/- 1.40   0.005% *  0.4667% (0.10   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    THR  118  20.86 +/- 1.79   0.006% *  0.2637% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1289 (1.41, 8.20, 120.98 ppm):
    33 chemical-shift based assignments, quality = 0.244, support = 2.65, residual support = 41.6:
          QB    ALA   61 - HN    PHE   60   4.24 +/- 0.13  62.744% * 72.6225% (0.25   2.67  41.95) =  99.245%  kept
          HG12  ILE   19 - HN    GLU-  15   6.69 +/- 1.44  10.371% *  1.8505% (0.84   0.02   0.02) =   0.418%
          HD3   LYS+ 121 - HN    THR  118   5.78 +/- 1.62  19.760% *  0.5394% (0.24   0.02   9.74) =   0.232%
          QB    ALA   12 - HN    GLU-  15   7.41 +/- 0.55   2.437% *  0.8315% (0.38   0.02   0.02) =   0.044%
          HB3   LEU   67 - HN    GLU-  15  10.01 +/- 1.95   0.871% *  0.8315% (0.38   0.02   0.02) =   0.016%
          QB    ALA  110 - HN    PHE   60   9.91 +/- 2.47   0.861% *  0.7902% (0.36   0.02   0.02) =   0.015%
          QB    ALA   61 - HN    GLU-  15  11.76 +/- 1.47   0.195% *  1.1656% (0.53   0.02   0.02) =   0.005%
          QB    ALA  110 - HN    THR  118   9.87 +/- 0.81   0.498% *  0.4465% (0.20   0.02   0.02) =   0.005%
          QG    LYS+  66 - HN    PHE   60   8.89 +/- 0.96   0.957% *  0.2302% (0.10   0.02   0.02) =   0.005%
          HB3   LYS+  74 - HN    PHE   60  11.69 +/- 1.50   0.195% *  0.9273% (0.42   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HN    GLU-  15  13.63 +/- 1.41   0.063% *  1.9869% (0.90   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    PHE   60  12.05 +/- 1.11   0.138% *  0.3881% (0.18   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    PHE   60  14.30 +/- 1.15   0.050% *  0.9545% (0.43   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    GLU-  15  13.04 +/- 1.31   0.096% *  0.4932% (0.22   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    THR  118  10.72 +/- 1.67   0.358% *  0.1301% (0.06   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    THR  118  11.98 +/- 0.99   0.149% *  0.3074% (0.14   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    PHE   60  15.11 +/- 1.53   0.045% *  0.8637% (0.39   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    PHE   60  15.19 +/- 1.24   0.036% *  0.6689% (0.30   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    THR  118  14.27 +/- 1.08   0.050% *  0.3780% (0.17   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    GLU-  15  17.95 +/- 1.49   0.012% *  1.4332% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    PHE   60  18.33 +/- 1.99   0.012% *  1.0248% (0.46   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    THR  118  15.31 +/- 2.81   0.052% *  0.2193% (0.10   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLU-  15  24.13 +/- 3.34   0.004% *  2.0452% (0.92   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLU-  15  21.80 +/- 1.76   0.003% *  2.1959% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    PHE   60  18.79 +/- 1.86   0.010% *  0.7508% (0.34   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    GLU-  15  21.34 +/- 1.83   0.004% *  1.6088% (0.73   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLU-  15  23.09 +/- 2.08   0.003% *  1.6931% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    THR  118  19.65 +/- 1.54   0.008% *  0.5240% (0.24   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    PHE   60  20.15 +/- 1.94   0.006% *  0.3881% (0.18   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    THR  118  22.04 +/- 1.93   0.004% *  0.4880% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    THR  118  24.04 +/- 2.32   0.002% *  0.5791% (0.26   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    THR  118  24.56 +/- 2.64   0.002% *  0.4243% (0.19   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR  118  25.69 +/- 1.94   0.001% *  0.2193% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1291 (1.28, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.895, support = 3.72, residual support = 25.6:
      O   QB    ALA   34 - HN    ALA   34   2.04 +/- 0.08  98.814% * 99.2769% (0.89  10.0   3.72  25.58) =  99.999%  kept
          QG2   THR   23 - HN    LEU   80   5.61 +/- 1.21   0.476% *  0.0983% (0.89   1.0   0.02   5.63) =   0.000%
          QG2   THR   39 - HN    ALA   34   5.69 +/- 0.88   0.453% *  0.0308% (0.28   1.0   0.02   9.08) =   0.000%
          QG2   THR   77 - HN    LEU   80   6.08 +/- 1.11   0.232% *  0.0221% (0.20   1.0   0.02   0.60) =   0.000%
          HG3   LYS+  38 - HN    ALA   34   8.99 +/- 0.42   0.014% *  0.0582% (0.52   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   80  11.17 +/- 1.71   0.007% *  0.0276% (0.25   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  13.36 +/- 0.76   0.001% *  0.1097% (0.99   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  14.74 +/- 2.66   0.001% *  0.0720% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  16.00 +/- 1.19   0.000% *  0.0889% (0.80   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  19.56 +/- 1.56   0.000% *  0.0804% (0.72   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  17.58 +/- 1.27   0.000% *  0.0246% (0.22   1.0   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    LEU   80  18.46 +/- 1.18   0.000% *  0.0276% (0.25   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ALA   34  20.70 +/- 1.16   0.000% *  0.0308% (0.28   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   80  26.99 +/- 1.92   0.000% *  0.0522% (0.47   1.0   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1292 (4.12, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.564, support = 3.53, residual support = 25.6:
      O   HA    ALA   34 - HN    ALA   34   2.77 +/- 0.01  96.274% * 82.7537% (0.56  10.0   3.53  25.58) =  99.403%  kept
          HA    LYS+  81 - HN    LEU   80   4.96 +/- 0.23   3.014% * 15.8679% (0.47   1.0   4.61  33.41) =   0.597%  kept
          HA    GLU-  36 - HN    ALA   34   6.84 +/- 0.06   0.423% *  0.0601% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA   34   7.78 +/- 0.16   0.196% *  0.1117% (0.76   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   34  10.19 +/- 1.94   0.077% *  0.0549% (0.37   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU   80  13.44 +/- 1.94   0.010% *  0.1001% (0.68   1.0   0.02   0.63) =   0.000%
          HA    ARG+  54 - HN    LEU   80  17.86 +/- 2.78   0.002% *  0.1283% (0.88   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  22.44 +/- 4.38   0.001% *  0.1349% (0.92   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  22.08 +/- 1.76   0.000% *  0.0951% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  20.97 +/- 1.27   0.001% *  0.0741% (0.51   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  23.06 +/- 0.93   0.000% *  0.1061% (0.72   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  22.13 +/- 1.49   0.000% *  0.0769% (0.52   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  22.79 +/- 3.11   0.000% *  0.0491% (0.34   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  26.56 +/- 1.85   0.000% *  0.1433% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  25.56 +/- 1.50   0.000% *  0.0538% (0.37   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  25.62 +/- 2.21   0.000% *  0.0326% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  31.76 +/- 2.51   0.000% *  0.1209% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  26.34 +/- 1.14   0.000% *  0.0364% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 0.975, support = 6.92, residual support = 42.6:
      O   HA    LYS+  33 - HN    ALA   34   3.60 +/- 0.02  74.663% * 91.0422% (0.99  10.0   6.96  43.58) =  97.827%  kept
          HA    GLN   32 - HN    ALA   34   4.52 +/- 0.18  19.252% *  7.8254% (0.34   1.0   5.00   0.11) =   2.168%  kept
          HA    GLU-  29 - HN    ALA   34   7.11 +/- 0.34   1.330% *  0.0910% (0.99   1.0   0.02   0.02) =   0.002%
          HB2   SER   82 - HN    LEU   80   7.23 +/- 0.75   1.396% *  0.0778% (0.85   1.0   0.02   0.22) =   0.002%
          HB2   SER   37 - HN    ALA   34   6.35 +/- 0.44   2.796% *  0.0161% (0.17   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    ALA   34   9.76 +/- 0.99   0.226% *  0.0736% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   80  11.62 +/- 2.90   0.165% *  0.0499% (0.54   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  11.48 +/- 0.98   0.094% *  0.0309% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   34  13.78 +/- 0.70   0.025% *  0.0900% (0.98   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  15.73 +/- 0.76   0.011% *  0.0806% (0.88   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  16.28 +/- 1.57   0.010% *  0.0815% (0.89   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  18.88 +/- 2.34   0.005% *  0.0869% (0.94   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  16.61 +/- 2.59   0.017% *  0.0163% (0.18   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  21.45 +/- 1.40   0.002% *  0.0815% (0.89   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  21.68 +/- 0.79   0.002% *  0.0659% (0.72   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  19.85 +/- 1.86   0.003% *  0.0281% (0.30   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  25.13 +/- 1.25   0.001% *  0.0736% (0.80   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  25.57 +/- 1.48   0.001% *  0.0659% (0.72   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  25.51 +/- 1.97   0.001% *  0.0557% (0.61   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  23.58 +/- 1.80   0.001% *  0.0345% (0.37   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  24.39 +/- 1.19   0.001% *  0.0144% (0.16   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  27.83 +/- 1.85   0.000% *  0.0182% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1294 (1.37, 8.08, 121.56 ppm):
    30 chemical-shift based assignments, quality = 0.759, support = 5.49, residual support = 42.8:
          HG3   LYS+  33 - HN    ALA   34   3.38 +/- 0.54  86.683% * 83.1319% (0.76   5.57  43.58) =  98.275%  kept
          QB    ALA   84 - HN    LEU   80   5.25 +/- 0.64  12.044% * 10.4818% (0.54   0.99   0.02) =   1.722%  kept
          HB    VAL   42 - HN    ALA   34  10.17 +/- 0.88   0.168% *  0.3265% (0.83   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    ALA   34  10.21 +/- 0.74   0.146% *  0.3506% (0.89   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    ALA   34  10.21 +/- 1.09   0.180% *  0.1903% (0.49   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ALA   34   8.71 +/- 0.80   0.416% *  0.0685% (0.17   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   80  11.21 +/- 1.27   0.090% *  0.3140% (0.80   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   34  14.87 +/- 3.49   0.070% *  0.1467% (0.37   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   34  14.72 +/- 1.65   0.021% *  0.3608% (0.92   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   80  12.08 +/- 1.68   0.084% *  0.0873% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   80  14.31 +/- 2.50   0.032% *  0.2265% (0.58   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LEU   80  16.75 +/- 1.16   0.008% *  0.2924% (0.75   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   34  18.02 +/- 0.74   0.005% *  0.3900% (1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA   34  18.44 +/- 1.02   0.004% *  0.2371% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   34  16.17 +/- 0.73   0.009% *  0.0975% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   80  20.74 +/- 2.78   0.003% *  0.3493% (0.89   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   80  19.63 +/- 1.70   0.003% *  0.2676% (0.68   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   34  19.54 +/- 3.91   0.005% *  0.1467% (0.37   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   80  18.54 +/- 2.72   0.004% *  0.1704% (0.44   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   34  20.97 +/- 1.40   0.002% *  0.3265% (0.83   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LEU   80  17.23 +/- 2.05   0.007% *  0.0613% (0.16   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   80  20.88 +/- 3.79   0.003% *  0.1314% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   80  22.79 +/- 1.84   0.001% *  0.2924% (0.75   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   34  17.71 +/- 1.13   0.006% *  0.0685% (0.17   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   34  21.95 +/- 1.37   0.001% *  0.2529% (0.65   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   80  25.22 +/- 2.75   0.001% *  0.3379% (0.86   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   80  25.24 +/- 3.25   0.001% *  0.3232% (0.82   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   80  19.76 +/- 1.89   0.003% *  0.0613% (0.16   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   34  29.39 +/- 1.92   0.000% *  0.3772% (0.96   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   80  27.27 +/- 2.24   0.000% *  0.1314% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1295 (1.87, 8.08, 121.56 ppm):
    26 chemical-shift based assignments, quality = 0.725, support = 5.86, residual support = 43.1:
          QB    LYS+  33 - HN    ALA   34   2.97 +/- 0.25  94.074% * 47.8638% (0.72   5.92  43.58) =  97.234%  kept
          QB    LYS+  81 - HN    LEU   80   5.59 +/- 0.22   2.451% * 38.6019% (0.78   4.46  33.41) =   2.043%  kept
          HB3   GLN   30 - HN    ALA   34   5.58 +/- 0.56   3.251% * 10.2817% (0.69   1.34   0.47) =   0.722%  kept
          HB3   LYS+  38 - HN    ALA   34   8.92 +/- 0.16   0.137% *  0.1931% (0.87   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    LEU   80  12.33 +/- 1.71   0.028% *  0.1596% (0.72   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  14.03 +/- 1.58   0.012% *  0.1370% (0.61   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  15.50 +/- 2.69   0.013% *  0.1049% (0.47   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  16.87 +/- 2.26   0.004% *  0.1788% (0.80   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  16.20 +/- 0.82   0.004% *  0.1996% (0.89   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  17.82 +/- 3.59   0.005% *  0.1129% (0.51   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  15.61 +/- 0.69   0.005% *  0.1171% (0.52   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  19.12 +/- 2.71   0.002% *  0.1924% (0.86   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  16.55 +/- 1.39   0.004% *  0.1083% (0.49   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  17.71 +/- 1.17   0.003% *  0.1448% (0.65   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  17.70 +/- 1.05   0.002% *  0.1350% (0.61   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  20.67 +/- 1.66   0.001% *  0.1931% (0.87   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  21.76 +/- 3.04   0.001% *  0.1049% (0.47   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  24.48 +/- 1.47   0.000% *  0.2148% (0.96   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  22.84 +/- 2.13   0.001% *  0.1209% (0.54   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  26.47 +/- 1.36   0.000% *  0.1782% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  22.74 +/- 1.98   0.001% *  0.0680% (0.30   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  26.72 +/- 1.39   0.000% *  0.1729% (0.78   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  27.79 +/- 2.66   0.000% *  0.1260% (0.56   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  25.44 +/- 0.97   0.000% *  0.1171% (0.52   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  26.21 +/- 1.32   0.000% *  0.0970% (0.44   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  25.88 +/- 1.65   0.000% *  0.0759% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1296 (4.83, 8.09, 121.65 ppm):
    10 chemical-shift based assignments, quality = 0.5, support = 7.21, residual support = 79.3:
      O   HA    LEU   80 - HN    LEU   80   2.74 +/- 0.25  91.269% * 71.8465% (0.50  10.0   7.25  80.01) =  99.037%  kept
          HA    ASP-  78 - HN    LEU   80   5.69 +/- 0.86   2.192% * 22.1908% (0.94   1.0   3.26   4.04) =   0.735%  kept
          HA    THR   23 - HN    LEU   80   5.49 +/- 1.56   2.687% *  5.5520% (0.85   1.0   0.91   5.63) =   0.225%
          HB    THR   23 - HN    LEU   80   5.93 +/- 1.64   3.843% *  0.0513% (0.36   1.0   0.02   5.63) =   0.003%
          HA    THR   23 - HN    ALA   34  14.93 +/- 0.53   0.004% *  0.1013% (0.70   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ALA   34  16.06 +/- 0.52   0.002% *  0.0424% (0.29   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ALA   34  18.99 +/- 2.17   0.001% *  0.0594% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  24.12 +/- 0.79   0.000% *  0.1127% (0.78   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ALA   34  18.53 +/- 0.76   0.001% *  0.0198% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LEU   80  23.09 +/- 2.33   0.000% *  0.0239% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1297 (4.26, 8.09, 121.65 ppm):
    20 chemical-shift based assignments, quality = 0.757, support = 5.52, residual support = 49.3:
      O   HA    GLU-  79 - HN    LEU   80   3.48 +/- 0.29  94.931% * 98.8868% (0.76  10.0   5.52  49.26) =  99.997%  kept
          HB    THR   77 - HN    LEU   80   6.90 +/- 1.36   3.583% *  0.0381% (0.29   1.0   0.02   0.60) =   0.001%
          HA    THR   39 - HN    ALA   34   7.33 +/- 0.35   1.194% *  0.0886% (0.68   1.0   0.02   9.08) =   0.001%
          HA    SER   85 - HN    LEU   80  10.52 +/- 0.69   0.141% *  0.0381% (0.29   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   80  12.23 +/- 1.49   0.068% *  0.0308% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   34  13.37 +/- 0.66   0.033% *  0.0420% (0.32   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   80  17.55 +/- 2.16   0.008% *  0.1210% (0.93   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   80  18.58 +/- 2.63   0.006% *  0.1168% (0.89   1.0   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   34  15.49 +/- 0.63   0.014% *  0.0255% (0.20   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   34  18.90 +/- 4.06   0.009% *  0.0227% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ALA   34  22.74 +/- 2.04   0.002% *  0.1001% (0.77   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   34  21.73 +/- 0.95   0.002% *  0.0818% (0.63   1.0   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    LEU   80  21.05 +/- 2.70   0.003% *  0.0508% (0.39   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU   80  23.62 +/- 1.14   0.001% *  0.1071% (0.82   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   80  27.67 +/- 5.10   0.002% *  0.0275% (0.21   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   34  22.67 +/- 1.43   0.002% *  0.0315% (0.24   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   34  23.14 +/- 1.76   0.001% *  0.0315% (0.24   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA   34  30.26 +/- 2.43   0.000% *  0.0966% (0.74   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   34  25.78 +/- 1.57   0.001% *  0.0284% (0.22   1.0   0.02   0.02) =   0.000%
          HA    SER  117 - HN    LEU   80  27.99 +/- 1.97   0.000% *  0.0343% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1298 (2.15, 8.09, 121.65 ppm):
    12 chemical-shift based assignments, quality = 0.788, support = 5.57, residual support = 48.3:
          HB3   GLU-  79 - HN    LEU   80   2.94 +/- 0.77  92.098% * 77.3561% (0.79   5.65  49.26) =  98.061%  kept
          QB    GLU-  36 - HN    ALA   34   5.11 +/- 0.24   6.921% * 20.3305% (0.70   1.67   0.02) =   1.937%  kept
          HB3   GLU-  29 - HN    ALA   34   8.10 +/- 0.51   0.435% *  0.2705% (0.78   0.02   0.02) =   0.002%
          HG3   GLU-  29 - HN    ALA   34   9.94 +/- 0.75   0.181% *  0.2072% (0.60   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    ALA   34   8.56 +/- 0.16   0.282% *  0.0837% (0.24   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LEU   80  12.27 +/- 1.61   0.063% *  0.3026% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  14.64 +/- 1.52   0.011% *  0.2505% (0.72   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  16.17 +/- 1.42   0.006% *  0.3271% (0.94   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  21.48 +/- 1.20   0.001% *  0.2940% (0.85   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  20.17 +/- 1.32   0.001% *  0.2264% (0.65   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  26.97 +/- 1.27   0.000% *  0.2502% (0.72   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LEU   80  27.01 +/- 1.33   0.000% *  0.1012% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1300 (8.37, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.799, support = 4.04, residual support = 18.8:
        T HN    ASN   35 - HN    ALA   34   2.69 +/- 0.04  99.990% * 98.7794% (0.80 10.00   4.04  18.76) = 100.000%  kept
        T HN    ASN   35 - HN    LEU   80  21.09 +/- 1.59   0.000% *  0.8847% (0.72 10.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ALA   34  18.04 +/- 3.65   0.003% *  0.1223% (0.99  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  14.27 +/- 0.65   0.005% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  26.53 +/- 4.27   0.000% *  0.1095% (0.89  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  18.62 +/- 2.17   0.001% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  23.38 +/- 2.09   0.000% *  0.0246% (0.20  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  25.53 +/- 0.93   0.000% *  0.0275% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1301 (7.29, 8.08, 121.56 ppm):
    10 chemical-shift based assignments, quality = 0.892, support = 5.09, residual support = 33.4:
          HN    LYS+  81 - HN    LEU   80   3.77 +/- 0.23  98.137% * 98.3319% (0.89   5.09  33.41) =  99.998%  kept
          HE3   TRP   27 - HN    LEU   80   9.41 +/- 2.85   1.311% *  0.0863% (0.20   0.02   5.37) =   0.001%
          HE3   TRP   27 - HN    ALA   34  10.58 +/- 1.64   0.455% *  0.0963% (0.22   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    LEU   80  14.04 +/- 1.66   0.052% *  0.3103% (0.72   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    ALA   34  15.98 +/- 1.59   0.022% *  0.3465% (0.80   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  21.07 +/- 1.99   0.004% *  0.4318% (1.00   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  18.51 +/- 0.97   0.008% *  0.1336% (0.31   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    LEU   80  20.04 +/- 2.09   0.007% *  0.0679% (0.16   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  23.19 +/- 0.91   0.002% *  0.1196% (0.28   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   34  25.76 +/- 2.22   0.001% *  0.0758% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1302 (3.85, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.719, support = 1.14, residual support = 3.91:
          HA    GLN   30 - HN    ALA   34   4.48 +/- 0.40  46.265% * 34.4814% (0.80   0.92   0.47) =  57.679%  kept
          HB    THR   39 - HN    ALA   34   5.04 +/- 0.55  26.085% * 42.4442% (0.61   1.50   9.08) =  40.031%  kept
          HB3   SER   82 - HN    LEU   80   7.12 +/- 0.81   3.359% * 15.8358% (0.82   0.41   0.22) =   1.923%  kept
          HB3   SER   37 - HN    ALA   34   5.05 +/- 0.46  23.767% *  0.4183% (0.45   0.02   0.02) =   0.359%
          HA    ILE   89 - HN    LEU   80  11.30 +/- 1.60   0.329% *  0.3747% (0.40   0.02   0.02) =   0.004%
          QB    SER   13 - HN    ALA   34  15.21 +/- 3.40   0.067% *  0.6036% (0.65   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    LEU   80  14.93 +/- 2.32   0.054% *  0.3137% (0.34   0.02   0.02) =   0.001%
          HA    GLN   30 - HN    LEU   80  16.25 +/- 1.45   0.022% *  0.6692% (0.72   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    LEU   80  17.97 +/- 2.64   0.019% *  0.7249% (0.78   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    ALA   34  18.34 +/- 2.24   0.011% *  0.8613% (0.92   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LEU   80  22.13 +/- 2.68   0.004% *  0.5406% (0.58   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LEU   80  21.35 +/- 1.21   0.004% *  0.5069% (0.54   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    ALA   34  22.47 +/- 2.29   0.003% *  0.4183% (0.45   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LEU   80  23.43 +/- 1.23   0.002% *  0.3747% (0.40   0.02   0.02) =   0.000%
          HB    THR  118 - HN    ALA   34  21.72 +/- 1.51   0.004% *  0.1440% (0.15   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    ALA   34  25.10 +/- 1.36   0.002% *  0.3502% (0.37   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ALA   34  29.32 +/- 2.14   0.001% *  0.8094% (0.87   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   80  22.80 +/- 1.98   0.003% *  0.1289% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1303 (3.60, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.752, support = 1.86, residual support = 5.02:
          HA    LEU   31 - HN    ALA   34   3.05 +/- 0.15  84.450% * 86.7204% (0.76   1.90   5.14) =  97.514%  kept
          HA    THR   77 - HN    LEU   80   4.70 +/- 1.36  15.546% * 12.0104% (0.34   0.60   0.60) =   2.486%  kept
          HA    LEU   31 - HN    LEU   80  16.95 +/- 1.68   0.003% *  0.8197% (0.68   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  20.60 +/- 1.21   0.001% *  0.4495% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1304 (4.85, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.359, support = 2.82, residual support = 4.42:
          HA    ASP-  78 - HN    LEU   80   5.69 +/- 0.86  32.294% * 79.6506% (0.40   3.26   4.04) =  81.621%  kept
          HA    THR   23 - HN    LEU   80   5.49 +/- 1.56  50.119% *  9.7867% (0.18   0.91   5.63) =  15.564%  kept
          HA    VAL   41 - HN    ALA   34   6.55 +/- 0.80  10.426% *  7.9986% (0.17   0.75   9.27) =   2.646%  kept
          HA    PHE   45 - HN    LEU   80   8.75 +/- 2.21   7.044% *  0.7493% (0.61   0.02   0.02) =   0.167%
          HA    PHE   45 - HN    ALA   34  17.35 +/- 0.59   0.025% *  0.8366% (0.69   0.02   0.02) =   0.001%
          HA    THR   23 - HN    ALA   34  14.93 +/- 0.53   0.063% *  0.2410% (0.20   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    LEU   80  17.55 +/- 1.41   0.025% *  0.1910% (0.16   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  24.12 +/- 0.79   0.004% *  0.5460% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 1 structures by 0.42 A, kept.
 
    Peak 1305 (2.91, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.711, support = 3.67, residual support = 14.2:
          HB2   ASP-  76 - HN    LEU   80   4.33 +/- 1.08  60.843% * 25.4679% (0.75   2.85   2.92) =  53.851%  kept
          QE    LYS+  33 - HN    ALA   34   5.08 +/- 0.54  24.268% * 32.2865% (0.52   5.14  43.58) =  27.230%  kept
          HB2   ASP-  78 - HN    LEU   80   5.71 +/- 0.52  13.275% * 40.9968% (0.88   3.91   4.04) =  18.914%  kept
          HB2   ASN   28 - HN    ALA   34   9.64 +/- 0.29   0.501% *  0.0982% (0.41   0.02   0.02) =   0.002%
          HB2   ASN   69 - HN    ALA   34  12.10 +/- 1.27   0.151% *  0.1735% (0.72   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    LEU   80   9.35 +/- 0.71   0.779% *  0.0290% (0.12   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    LEU   80  13.08 +/- 1.96   0.125% *  0.0880% (0.37   0.02   0.63) =   0.000%
          QE    LYS+  33 - HN    LEU   80  17.77 +/- 1.36   0.014% *  0.1126% (0.47   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  19.76 +/- 1.34   0.007% *  0.1996% (0.83   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  17.75 +/- 2.19   0.018% *  0.0323% (0.14   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  23.64 +/- 0.75   0.002% *  0.2342% (0.98   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  20.01 +/- 1.51   0.008% *  0.0664% (0.28   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  20.84 +/- 2.27   0.007% *  0.0595% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  25.85 +/- 0.76   0.001% *  0.1554% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1306 (2.33, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.435, support = 5.48, residual support = 49.3:
          HB2   GLU-  79 - HN    LEU   80   2.62 +/- 0.60  99.367% * 94.6303% (0.44   5.48  49.26) =  99.998%  kept
          HG3   GLU-  36 - HN    ALA   34   7.04 +/- 0.33   0.566% *  0.2704% (0.34   0.02   0.02) =   0.002%
          HG3   GLU-  25 - HN    LEU   80  11.36 +/- 1.60   0.030% *  0.6960% (0.88   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  17.22 +/- 2.82   0.012% *  0.6159% (0.78   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  15.30 +/- 0.46   0.005% *  0.7771% (0.98   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   80  15.43 +/- 2.88   0.016% *  0.2422% (0.30   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  20.84 +/- 2.55   0.001% *  0.2919% (0.37   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  19.74 +/- 1.35   0.001% *  0.3859% (0.49   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  22.76 +/- 1.46   0.001% *  0.3259% (0.41   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  22.68 +/- 1.87   0.001% *  0.2665% (0.34   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  27.57 +/- 2.02   0.000% *  0.6877% (0.87   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  25.12 +/- 1.70   0.000% *  0.2975% (0.37   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  24.93 +/- 1.48   0.000% *  0.2422% (0.30   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  26.50 +/- 0.90   0.000% *  0.2704% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.77, support = 5.54, residual support = 47.8:
          HB3   GLU-  79 - HN    LEU   80   2.94 +/- 0.77  83.763% * 69.3198% (0.78   5.65  49.26) =  96.944%  kept
          QB    GLU-  36 - HN    ALA   34   5.11 +/- 0.24   5.858% * 21.1508% (0.80   1.67   0.02) =   2.069%  kept
          QB    GLN   32 - HN    ALA   34   4.86 +/- 0.10   7.384% *  7.9735% (0.17   2.88   0.11) =   0.983%  kept
          HB    VAL   24 - HN    LEU   80   6.90 +/- 2.20   2.269% *  0.0630% (0.20   0.02   8.79) =   0.002%
          HB3   GLU-  29 - HN    ALA   34   8.10 +/- 0.51   0.368% *  0.1537% (0.49   0.02   0.02) =   0.001%
          HG3   GLU- 100 - HN    ALA   34  10.12 +/- 1.62   0.117% *  0.1537% (0.49   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   34   9.94 +/- 0.75   0.154% *  0.0553% (0.17   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LEU   80  12.27 +/- 1.61   0.054% *  0.0873% (0.28   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    ALA   34  14.36 +/- 0.40   0.011% *  0.0703% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  16.17 +/- 1.42   0.005% *  0.1377% (0.44   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  14.64 +/- 1.52   0.009% *  0.0495% (0.16   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  20.17 +/- 1.32   0.001% *  0.2740% (0.87   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  21.48 +/- 1.20   0.001% *  0.2265% (0.72   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    LEU   80  16.89 +/- 1.62   0.004% *  0.0495% (0.16   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    LEU   80  25.91 +/- 2.08   0.000% *  0.1377% (0.44   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  26.97 +/- 1.27   0.000% *  0.0975% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1308 (0.43, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.683, support = 0.24, residual support = 0.48:
          QG1   VAL   75 - HN    LEU   80   4.66 +/- 0.84  99.720% * 76.5807% (0.68   0.24   0.48) =  99.973%  kept
          QG1   VAL   75 - HN    ALA   34  13.83 +/- 0.93   0.214% *  7.1188% (0.76   0.02   0.02) =   0.020%
          QD1   LEU  115 - HN    LEU   80  17.77 +/- 1.58   0.042% *  7.7017% (0.82   0.02   0.02) =   0.004%
          QD1   LEU  115 - HN    ALA   34  20.31 +/- 1.34   0.024% *  8.5988% (0.92   0.02   0.02) =   0.003%
    Distance limit 4.57 A violated in 3 structures by 0.37 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1309 (0.57, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.291, support = 6.8, residual support = 78.8:
          QD2   LEU   80 - HN    LEU   80   3.40 +/- 0.57  31.235% * 55.5016% (0.40   6.56  80.01) =  49.685%  kept
          QD1   LEU   80 - HN    LEU   80   2.91 +/- 0.99  63.053% * 26.9222% (0.18   7.21  80.01) =  48.651%  kept
          QG2   VAL   41 - HN    ALA   34   5.03 +/- 0.65   4.009% * 14.3774% (0.34   2.00   9.27) =   1.652%  kept
          QD1   LEU   73 - HN    ALA   34   6.21 +/- 0.70   1.021% *  0.3521% (0.83   0.02   0.02) =   0.010%
          QD2   LEU   98 - HN    ALA   34   7.94 +/- 0.86   0.521% *  0.0834% (0.20   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    LEU   80  10.22 +/- 1.27   0.063% *  0.3153% (0.75   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    ALA   34  14.09 +/- 1.65   0.010% *  0.3780% (0.89   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  14.33 +/- 1.10   0.008% *  0.3521% (0.83   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   34  11.67 +/- 0.96   0.027% *  0.1051% (0.25   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  16.00 +/- 1.69   0.007% *  0.3153% (0.75   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   34  13.29 +/- 2.58   0.011% *  0.1890% (0.45   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   80  13.52 +/- 1.54   0.011% *  0.1288% (0.30   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  17.64 +/- 1.21   0.003% *  0.3386% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   80  14.61 +/- 2.69   0.008% *  0.0747% (0.18   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   34  14.57 +/- 2.44   0.007% *  0.0834% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  19.41 +/- 1.25   0.002% *  0.1838% (0.44   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  20.07 +/- 2.75   0.003% *  0.0941% (0.22   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  20.47 +/- 1.16   0.001% *  0.2052% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1310 (0.82, 8.08, 121.56 ppm):
    6 chemical-shift based assignments, quality = 0.624, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HN    ALA   34  20.49 +/- 2.75  16.475% * 31.5414% (1.00   0.02   0.02) =  40.440%  kept
          HB3   LEU  104 - HN    ALA   34  16.00 +/- 1.01  58.343% *  7.0378% (0.22   0.02   0.02) =  31.954%  kept
          HG3   LYS+ 121 - HN    ALA   34  21.32 +/- 2.99  12.384% * 14.1725% (0.45   0.02   0.02) =  13.659%  kept
          QD2   LEU  123 - HN    LEU   80  25.63 +/- 1.43   3.693% * 28.2508% (0.89   0.02   0.02) =   8.119%  kept
          HB3   LEU  104 - HN    LEU   80  24.25 +/- 2.95   6.366% *  6.3036% (0.20   0.02   0.02) =   3.123%  kept
          HG3   LYS+ 121 - HN    LEU   80  26.99 +/- 2.37   2.739% * 12.6939% (0.40   0.02   0.02) =   2.705%  kept
    Distance limit 4.39 A violated in 20 structures by 10.20 A, eliminated.
    Peak unassigned.
 
    Peak 1311 (1.87, 8.09, 121.65 ppm):
    26 chemical-shift based assignments, quality = 0.742, support = 5.87, residual support = 43.2:
          QB    LYS+  33 - HN    ALA   34   2.97 +/- 0.25  94.074% * 47.0513% (0.74   5.92  43.58) =  97.232%  kept
          QB    LYS+  81 - HN    LEU   80   5.59 +/- 0.22   2.451% * 45.2451% (0.94   4.46  33.41) =   2.436%  kept
          HB3   GLN   30 - HN    ALA   34   5.58 +/- 0.56   3.251% *  4.6435% (0.32   1.34   0.47) =   0.332%
          HB3   LYS+  38 - HN    ALA   34   8.92 +/- 0.16   0.137% *  0.1019% (0.47   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   80  12.33 +/- 1.71   0.028% *  0.1991% (0.93   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  14.03 +/- 1.58   0.012% *  0.0835% (0.39   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  17.82 +/- 3.59   0.005% *  0.1697% (0.79   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  16.87 +/- 2.26   0.004% *  0.2032% (0.95   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  15.50 +/- 2.69   0.013% *  0.0565% (0.26   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  15.61 +/- 0.69   0.005% *  0.1345% (0.63   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  16.20 +/- 0.82   0.004% *  0.1680% (0.78   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  17.71 +/- 1.17   0.003% *  0.1922% (0.89   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  16.55 +/- 1.39   0.004% *  0.1284% (0.60   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  19.12 +/- 2.71   0.002% *  0.1553% (0.72   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  17.70 +/- 1.05   0.002% *  0.1457% (0.68   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  20.67 +/- 1.66   0.001% *  0.1676% (0.78   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  21.76 +/- 3.04   0.001% *  0.1627% (0.76   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  22.84 +/- 2.13   0.001% *  0.1762% (0.82   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  24.48 +/- 1.47   0.000% *  0.1284% (0.60   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  27.79 +/- 2.66   0.000% *  0.1403% (0.65   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  26.47 +/- 1.36   0.000% *  0.1646% (0.77   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  26.21 +/- 1.32   0.000% *  0.1553% (0.72   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  26.72 +/- 1.39   0.000% *  0.1232% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  22.74 +/- 1.98   0.001% *  0.0313% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  25.44 +/- 0.97   0.000% *  0.0467% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  25.88 +/- 1.65   0.000% *  0.0259% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1312 (1.29, 8.09, 121.65 ppm):
    12 chemical-shift based assignments, quality = 0.241, support = 3.72, residual support = 25.6:
      O   QB    ALA   34 - HN    ALA   34   2.04 +/- 0.08  99.259% * 98.3406% (0.24  10.0   3.72  25.58) =  99.998%  kept
          QG2   THR   23 - HN    LEU   80   5.61 +/- 1.21   0.477% *  0.2493% (0.61   1.0   0.02   5.63) =   0.001%
          QG2   THR   77 - HN    LEU   80   6.08 +/- 1.11   0.233% *  0.3086% (0.76   1.0   0.02   0.60) =   0.001%
          HG2   LYS+  38 - HN    ALA   34   8.30 +/- 0.25   0.022% *  0.0492% (0.12   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LEU   80  11.37 +/- 0.88   0.004% *  0.1584% (0.39   1.0   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  13.36 +/- 0.76   0.001% *  0.2061% (0.51   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  14.74 +/- 2.66   0.001% *  0.0675% (0.17   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  17.58 +/- 1.27   0.000% *  0.2551% (0.63   1.0   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  16.00 +/- 1.19   0.000% *  0.1189% (0.29   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    ALA   34  20.29 +/- 1.57   0.000% *  0.1310% (0.32   1.0   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  19.56 +/- 1.56   0.000% *  0.0558% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   80  26.57 +/- 1.48   0.000% *  0.0595% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1313 (1.43, 8.09, 121.65 ppm):
    28 chemical-shift based assignments, quality = 0.387, support = 6.12, residual support = 80.0:
      O   HB2   LEU   80 - HN    LEU   80   2.76 +/- 0.67  74.144% * 49.4810% (0.26  10.0   5.91  80.01) =  75.006%  kept
          HG    LEU   80 - HN    LEU   80   3.83 +/- 0.94  25.455% * 48.0252% (0.76   1.0   6.74  80.01) =  24.993%  kept
          HG    LEU   73 - HN    ALA   34   8.50 +/- 0.72   0.194% *  0.1229% (0.65   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   34  10.29 +/- 0.94   0.062% *  0.0502% (0.27   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   34  11.50 +/- 1.54   0.026% *  0.1011% (0.54   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   80   9.51 +/- 0.78   0.062% *  0.0275% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   80  13.06 +/- 1.56   0.011% *  0.1486% (0.79   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   34  14.49 +/- 1.14   0.006% *  0.1468% (0.78   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   80  16.41 +/- 1.63   0.003% *  0.1683% (0.89   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   34  14.64 +/- 1.46   0.005% *  0.1068% (0.57   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   80  17.01 +/- 2.91   0.003% *  0.1360% (0.72   1.0   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   34  16.90 +/- 2.89   0.003% *  0.1178% (0.63   1.0   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   80  16.18 +/- 0.88   0.003% *  0.1222% (0.65   1.0   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ALA   34  18.08 +/- 1.42   0.002% *  0.1392% (0.74   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   34  14.84 +/- 1.43   0.008% *  0.0367% (0.20   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA   34  18.36 +/- 0.88   0.001% *  0.1420% (0.75   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   34  15.37 +/- 0.74   0.004% *  0.0227% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   34  17.66 +/- 2.07   0.002% *  0.0409% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   80  22.73 +/- 1.20   0.000% *  0.1776% (0.94   1.0   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   80  22.88 +/- 0.99   0.000% *  0.1717% (0.91   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   80  25.62 +/- 3.16   0.000% *  0.1292% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU   80  21.12 +/- 1.67   0.001% *  0.0607% (0.32   1.0   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   34  23.11 +/- 1.34   0.000% *  0.1125% (0.60   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   80  21.19 +/- 1.81   0.001% *  0.0607% (0.32   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   34  22.17 +/- 3.18   0.001% *  0.0258% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   34  23.55 +/- 1.40   0.000% *  0.0502% (0.27   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU   80  23.05 +/- 1.12   0.000% *  0.0444% (0.24   1.0   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   80  27.19 +/- 2.46   0.000% *  0.0312% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1314 (0.76, 8.09, 121.65 ppm):
    18 chemical-shift based assignments, quality = 0.731, support = 0.773, residual support = 8.55:
          QG1   VAL   41 - HN    ALA   34   4.87 +/- 0.45  59.903% * 48.7379% (0.78   0.75   9.27) =  83.219%  kept
          HG    LEU   31 - HN    ALA   34   6.24 +/- 0.27  14.677% * 38.7562% (0.51   0.92   5.14) =  16.214%  kept
          QG2   THR   46 - HN    LEU   80   7.71 +/- 1.77   7.935% *  0.9555% (0.57   0.02   0.02) =   0.216%
          QD2   LEU   73 - HN    ALA   34   6.85 +/- 0.93  10.569% *  0.6340% (0.38   0.02   0.02) =   0.191%
          QG1   VAL   43 - HN    ALA   34   9.08 +/- 1.08   1.793% *  1.2024% (0.72   0.02   0.02) =   0.061%
          QG1   VAL   43 - HN    LEU   80  10.73 +/- 1.97   0.824% *  1.4543% (0.87   0.02   0.02) =   0.034%
          QD1   ILE   19 - HN    ALA   34   8.84 +/- 1.60   2.494% *  0.3622% (0.22   0.02   0.02) =   0.026%
          QD2   LEU   73 - HN    LEU   80  11.09 +/- 1.18   0.583% *  0.7668% (0.46   0.02   0.02) =   0.013%
          QG2   VAL   18 - HN    LEU   80  12.41 +/- 1.19   0.282% *  1.1440% (0.69   0.02   0.02) =   0.009%
          QG2   VAL   18 - HN    ALA   34  13.46 +/- 0.70   0.152% *  0.9459% (0.57   0.02   0.02) =   0.004%
          HG    LEU   31 - HN    LEU   80  14.42 +/- 2.22   0.128% *  1.0191% (0.61   0.02   0.02) =   0.004%
          QG1   VAL   41 - HN    LEU   80  15.77 +/- 1.61   0.064% *  1.5719% (0.94   0.02   0.02) =   0.003%
          QD1   ILE   19 - HN    LEU   80  13.41 +/- 0.76   0.157% *  0.4380% (0.26   0.02   0.02) =   0.002%
          QD2   LEU  104 - HN    ALA   34  11.97 +/- 1.07   0.297% *  0.2281% (0.14   0.02   0.02) =   0.002%
          QG2   THR   46 - HN    ALA   34  16.81 +/- 1.12   0.041% *  0.7900% (0.47   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LEU   80  16.38 +/- 2.56   0.068% *  0.3928% (0.24   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    LEU   80  20.41 +/- 2.85   0.020% *  0.2759% (0.17   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    ALA   34  19.97 +/- 1.47   0.014% *  0.3248% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.31 A, kept.
 
    Peak 1315 (0.59, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.848, support = 6.56, residual support = 80.0:
          QD2   LEU   80 - HN    LEU   80   3.40 +/- 0.57  83.566% * 97.1785% (0.85   6.56  80.01) =  99.975%  kept
          QG1   VAL   83 - HN    LEU   80   5.27 +/- 0.81  12.633% *  0.0824% (0.24   0.02   0.02) =   0.013%
          QD1   LEU   73 - HN    ALA   34   6.21 +/- 0.70   3.373% *  0.2678% (0.77   0.02   0.02) =   0.011%
          QD1   LEU   73 - HN    LEU   80  10.22 +/- 1.27   0.183% *  0.3239% (0.93   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    ALA   34  11.67 +/- 0.96   0.073% *  0.1877% (0.54   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   34  13.29 +/- 2.58   0.043% *  0.2450% (0.70   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  14.33 +/- 1.10   0.022% *  0.2678% (0.77   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  16.00 +/- 1.69   0.016% *  0.3239% (0.93   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  14.09 +/- 1.65   0.027% *  0.1225% (0.35   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   34  12.70 +/- 1.64   0.044% *  0.0681% (0.20   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  20.07 +/- 2.75   0.005% *  0.2270% (0.65   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  19.41 +/- 1.25   0.004% *  0.3050% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  17.64 +/- 1.21   0.008% *  0.1481% (0.42   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  20.47 +/- 1.16   0.002% *  0.2522% (0.72   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1316 (0.46, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.46, support = 0.24, residual support = 0.48:
          QG1   VAL   75 - HN    LEU   80   4.66 +/- 0.84  99.720% * 85.8159% (0.46   0.24   0.48) =  99.982%  kept
          QG1   VAL   75 - HN    ALA   34  13.83 +/- 0.93   0.214% *  5.9076% (0.38   0.02   0.02) =   0.015%
          QD1   LEU  115 - HN    LEU   80  17.77 +/- 1.58   0.042% *  4.5306% (0.29   0.02   0.02) =   0.002%
          QD1   LEU  115 - HN    ALA   34  20.31 +/- 1.34   0.024% *  3.7460% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.39 A violated in 4 structures by 0.47 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1317 (4.12, 8.09, 121.65 ppm):
    20 chemical-shift based assignments, quality = 0.624, support = 3.52, residual support = 25.5:
      O   HA    ALA   34 - HN    ALA   34   2.77 +/- 0.01  96.216% * 89.0895% (0.63  10.0   3.53  25.58) =  99.664%  kept
          HA    LYS+  81 - HN    LEU   80   4.96 +/- 0.23   3.013% *  9.5680% (0.29   1.0   4.61  33.41) =   0.335%
          HA    ASN   28 - HN    ALA   34   7.78 +/- 0.16   0.196% *  0.1052% (0.74   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA   34   6.84 +/- 0.06   0.423% *  0.0248% (0.17   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   34  10.19 +/- 1.94   0.077% *  0.0675% (0.47   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU   80  13.44 +/- 1.94   0.010% *  0.1273% (0.89   1.0   0.02   0.63) =   0.000%
          HA    THR   26 - HN    ALA   34  10.00 +/- 0.45   0.045% *  0.0195% (0.14   1.0   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU   80  12.33 +/- 1.36   0.015% *  0.0236% (0.17   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   80  17.86 +/- 2.78   0.002% *  0.1124% (0.79   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  20.97 +/- 1.27   0.001% *  0.1078% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  22.08 +/- 1.76   0.000% *  0.1242% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  22.44 +/- 4.38   0.001% *  0.0808% (0.57   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  22.79 +/- 3.11   0.000% *  0.0816% (0.57   1.0   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  23.06 +/- 0.93   0.000% *  0.1027% (0.72   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  22.13 +/- 1.49   0.000% *  0.0343% (0.24   1.0   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  26.56 +/- 1.85   0.000% *  0.0929% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  25.62 +/- 2.21   0.000% *  0.0603% (0.42   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  26.34 +/- 1.14   0.000% *  0.0499% (0.35   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  25.56 +/- 1.50   0.000% *  0.0300% (0.21   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  31.76 +/- 2.51   0.000% *  0.0977% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1318 (3.60, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.59, support = 1.85, residual support = 4.98:
          HA    LEU   31 - HN    ALA   34   3.05 +/- 0.15  84.450% * 82.9900% (0.60   1.90   5.14) =  96.672%  kept
          HA    THR   77 - HN    LEU   80   4.70 +/- 1.36  15.546% * 15.5205% (0.36   0.60   0.60) =   3.328%  kept
          HA    LEU   31 - HN    LEU   80  16.95 +/- 1.68   0.003% *  1.0593% (0.72   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  20.60 +/- 1.21   0.001% *  0.4301% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1319 (2.91, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.658, support = 3.85, residual support = 16.8:
          HB2   ASP-  76 - HN    LEU   80   4.33 +/- 1.08  60.843% * 19.3837% (0.57   2.85   2.92) =  44.785%  kept
          QE    LYS+  33 - HN    ALA   34   5.08 +/- 0.54  24.268% * 36.4025% (0.60   5.14  43.58) =  33.547%  kept
          HB2   ASP-  78 - HN    LEU   80   5.71 +/- 0.52  13.275% * 42.9702% (0.93   3.91   4.04) =  21.662%  kept
          HB2   ASN   28 - HN    ALA   34   9.64 +/- 0.29   0.501% *  0.1200% (0.51   0.02   0.02) =   0.002%
          HB2   ASP-  86 - HN    LEU   80   9.35 +/- 0.71   0.779% *  0.0624% (0.26   0.02   0.02) =   0.002%
          HB2   ASN   28 - HN    LEU   80  13.08 +/- 1.96   0.125% *  0.1451% (0.61   0.02   0.63) =   0.001%
          HB2   ASN   69 - HN    ALA   34  12.10 +/- 1.27   0.151% *  0.0903% (0.38   0.02   0.02) =   0.001%
          QE    LYS+  33 - HN    LEU   80  17.77 +/- 1.36   0.014% *  0.1714% (0.72   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  17.75 +/- 2.19   0.018% *  0.0516% (0.22   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  19.76 +/- 1.34   0.007% *  0.1125% (0.47   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  20.84 +/- 2.27   0.007% *  0.1092% (0.46   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  20.01 +/- 1.51   0.008% *  0.0903% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  23.64 +/- 0.75   0.002% *  0.1818% (0.77   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  25.85 +/- 0.76   0.001% *  0.1092% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1320 (2.33, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.46, support = 5.48, residual support = 49.3:
          HB2   GLU-  79 - HN    LEU   80   2.62 +/- 0.60  99.367% * 95.3764% (0.46   5.48  49.26) =  99.998%  kept
          HG3   GLU-  36 - HN    ALA   34   7.04 +/- 0.33   0.566% *  0.2018% (0.27   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HN    LEU   80  11.36 +/- 1.60   0.030% *  0.7015% (0.93   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  17.22 +/- 2.82   0.012% *  0.6208% (0.82   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   80  15.43 +/- 2.88   0.016% *  0.2441% (0.32   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  15.30 +/- 0.46   0.005% *  0.5800% (0.77   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  20.84 +/- 2.55   0.001% *  0.2942% (0.39   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  19.74 +/- 1.35   0.001% *  0.2880% (0.38   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  22.68 +/- 1.87   0.001% *  0.2686% (0.36   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  22.76 +/- 1.46   0.001% *  0.2433% (0.32   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  27.57 +/- 2.02   0.000% *  0.5133% (0.68   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  25.12 +/- 1.70   0.000% *  0.2221% (0.29   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  24.93 +/- 1.48   0.000% *  0.2441% (0.32   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  26.50 +/- 0.90   0.000% *  0.2018% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1321 (4.01, 8.09, 121.65 ppm):
    22 chemical-shift based assignments, quality = 0.772, support = 6.93, residual support = 42.8:
      O   HA    LYS+  33 - HN    ALA   34   3.60 +/- 0.02  74.663% * 92.2764% (0.78  10.0   6.96  43.58) =  98.236%  kept
          HA    GLN   32 - HN    ALA   34   4.52 +/- 0.18  19.252% *  6.4078% (0.22   1.0   5.00   0.11) =   1.759%  kept
          HB2   SER   82 - HN    LEU   80   7.23 +/- 0.75   1.396% *  0.1001% (0.85   1.0   0.02   0.22) =   0.002%
          HA    GLU-  29 - HN    ALA   34   7.11 +/- 0.34   1.330% *  0.0891% (0.75   1.0   0.02   0.02) =   0.002%
          HB2   SER   37 - HN    ALA   34   6.35 +/- 0.44   2.796% *  0.0205% (0.17   1.0   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    ALA   34   9.76 +/- 0.99   0.226% *  0.0800% (0.68   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   80  11.62 +/- 2.90   0.165% *  0.0587% (0.50   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  11.48 +/- 0.98   0.094% *  0.0344% (0.29   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   34  13.78 +/- 0.70   0.025% *  0.0873% (0.74   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  15.73 +/- 0.76   0.011% *  0.1056% (0.89   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  16.28 +/- 1.57   0.010% *  0.1077% (0.91   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  18.88 +/- 2.34   0.005% *  0.0828% (0.70   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  16.61 +/- 2.59   0.017% *  0.0172% (0.15   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  21.45 +/- 1.40   0.002% *  0.1116% (0.95   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  21.68 +/- 0.79   0.002% *  0.0968% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  19.85 +/- 1.86   0.003% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  25.57 +/- 1.48   0.001% *  0.0968% (0.82   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  25.13 +/- 1.25   0.001% *  0.0800% (0.68   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  25.51 +/- 1.97   0.001% *  0.0485% (0.41   1.0   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  23.58 +/- 1.80   0.001% *  0.0285% (0.24   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  24.39 +/- 1.19   0.001% *  0.0248% (0.21   1.0   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  27.83 +/- 1.85   0.000% *  0.0142% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1322 (8.28, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.326, support = 0.0199, residual support = 0.277:
          HN    GLN   30 - HN    ALA   34   6.16 +/- 0.30  76.765% *  3.3143% (0.17  1.00   0.02   0.47) =  56.605%  kept
          HN    GLU-  29 - HN    ALA   34   8.35 +/- 0.27  12.317% * 11.4785% (0.61  1.00   0.02   0.02) =  31.454%  kept
          HN    ASP-  86 - HN    LEU   80   8.97 +/- 0.63   8.828% *  3.7738% (0.20  1.00   0.02   0.02) =   7.412%  kept
          HN    GLU-  29 - HN    LEU   80  13.60 +/- 1.63   0.888% * 10.2810% (0.54  1.00   0.02   0.02) =   2.030%  kept
        T HN    ASP-  86 - HN    ALA   34  19.89 +/- 1.97   0.081% * 42.1332% (0.22 10.00   0.02   0.02) =   0.756%  kept
          HN    VAL   18 - HN    ALA   34  16.29 +/- 0.67   0.239% * 13.7422% (0.72  1.00   0.02   0.02) =   0.730%  kept
          HN    VAL   18 - HN    LEU   80  16.78 +/- 1.02   0.207% * 12.3085% (0.65  1.00   0.02   0.02) =   0.568%  kept
          HN    GLN   30 - HN    LEU   80  14.11 +/- 1.56   0.675% *  2.9685% (0.16  1.00   0.02   0.02) =   0.446%
    Distance limit 3.75 A violated in 20 structures by 2.15 A, eliminated.
    Peak unassigned.
 
    Peak 1323 (8.28, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.234, support = 0.02, residual support = 0.256:
          HN    GLN   30 - HN    ALA   34   6.16 +/- 0.30  76.765% *  2.6057% (0.11  1.00   0.02   0.47) =  52.082%  kept
          HN    GLU-  29 - HN    ALA   34   8.35 +/- 0.27  12.317% * 10.1298% (0.41  1.00   0.02   0.02) =  32.486%  kept
          HN    ASP-  86 - HN    LEU   80   8.97 +/- 0.63   8.828% *  4.0782% (0.17  1.00   0.02   0.02) =   9.374%  kept
          HN    GLU-  29 - HN    LEU   80  13.60 +/- 1.63   0.888% * 12.2517% (0.50  1.00   0.02   0.02) =   2.832%  kept
          HN    VAL   18 - HN    LEU   80  16.78 +/- 1.02   0.207% * 18.6466% (0.76  1.00   0.02   0.02) =   1.006%  kept
          HN    VAL   18 - HN    ALA   34  16.29 +/- 0.67   0.239% * 15.4172% (0.63  1.00   0.02   0.02) =   0.958%  kept
        T HN    ASP-  86 - HN    ALA   34  19.89 +/- 1.97   0.081% * 33.7193% (0.14 10.00   0.02   0.02) =   0.708%  kept
          HN    GLN   30 - HN    LEU   80  14.11 +/- 1.56   0.675% *  3.1515% (0.13  1.00   0.02   0.02) =   0.554%  kept
    Distance limit 3.72 A violated in 20 structures by 2.17 A, eliminated.
    Peak unassigned.
 
    Peak 1325 (8.38, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.537, support = 4.04, residual support = 18.8:
        T HN    ASN   35 - HN    ALA   34   2.69 +/- 0.04  99.990% * 98.3004% (0.54 10.00   4.04  18.76) = 100.000%  kept
        T HN    ASN   35 - HN    LEU   80  21.09 +/- 1.59   0.000% *  1.1889% (0.65 10.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ALA   34  18.04 +/- 3.65   0.003% *  0.1428% (0.78  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  14.27 +/- 0.65   0.005% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  18.62 +/- 2.17   0.001% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  26.53 +/- 4.27   0.000% *  0.1727% (0.94  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  23.38 +/- 2.09   0.000% *  0.0534% (0.29  1.00   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  25.53 +/- 0.93   0.000% *  0.0442% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1326 (7.29, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.938, support = 5.09, residual support = 33.4:
          HN    LYS+  81 - HN    LEU   80   3.77 +/- 0.23  98.145% * 98.6338% (0.94   5.09  33.41) =  99.999%  kept
          HE3   TRP   27 - HN    LEU   80   9.41 +/- 2.85   1.311% *  0.0604% (0.15   0.02   5.37) =   0.001%
          HE3   TRP   27 - HN    ALA   34  10.58 +/- 1.64   0.456% *  0.0499% (0.12   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    LEU   80  14.04 +/- 1.66   0.052% *  0.3510% (0.85   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    ALA   34  15.98 +/- 1.59   0.022% *  0.2902% (0.70   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  21.07 +/- 1.99   0.004% *  0.3207% (0.78   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  18.51 +/- 0.97   0.008% *  0.1330% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  23.19 +/- 0.91   0.002% *  0.1609% (0.39   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.02 A, kept.
 
    Peaks:
      selected                               :   1103
      with diagonal assignment               :    129
      without assignment possibility         :      2
      with one assignment possibility        :     47
      with multiple assignment possibilities :    925
      with given assignment possibilities    :      0
      with unique volume contribution        :    660
      with multiple volume contributions     :    312
      eliminated by violation filter         :     41
 
    Peaks:
      selected                               :   1103
      without assignment                     :     56
      with assignment                        :   1047
      with unique assignment                 :    757
      with multiple assignment               :    290
      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             :    918
 
    Atoms with eliminated volume contribution > 2.5:
    HN    ALA   34       2.6
    HN    ASP-  62       2.6
 
    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 = 0.551, support = 3.23, residual support = 47.0:
      O T HB2   GLU-  14 - HA    GLU-  14   2.73 +/- 0.16  87.650% * 27.7351% (0.39  10.0 10.00   2.96  48.27) =  73.741%  kept
    * O T HG2   MET   11 - HA    MET   11   3.84 +/- 0.29  12.221% * 70.8328% (1.00  10.0 10.00   4.00  43.34) =  26.258%  kept
        T HB2   GLU-  14 - HA    MET   11  10.37 +/- 1.41   0.050% *  0.7068% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HA    GLU-  14  11.00 +/- 0.99   0.028% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  12.04 +/- 3.47   0.049% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  18.94 +/- 3.94   0.002% *  0.0197% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  34.49 +/- 5.06   0.000% *  0.1241% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  25.66 +/- 3.16   0.000% *  0.0487% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  22.75 +/- 1.40   0.000% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  23.29 +/- 1.65   0.000% *  0.0114% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  37.64 +/- 5.39   0.000% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  31.86 +/- 1.96   0.000% *  0.0694% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  29.36 +/- 3.20   0.000% *  0.0272% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  31.28 +/- 3.64   0.000% *  0.0291% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU-  14  28.40 +/- 1.52   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    MET   11  35.75 +/- 3.35   0.000% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 5 (1.92, 4.29, 56.56 ppm):
    14 chemical-shift based assignments, quality = 0.684, support = 3.48, residual support = 45.8:
      O T HB3   GLU-  14 - HA    GLU-  14   2.77 +/- 0.25  73.086% * 26.7596% (0.37  10.0 10.00   2.96  48.27) =  50.296%  kept
    * O T HG3   MET   11 - HA    MET   11   3.45 +/- 0.60  26.811% * 72.0852% (1.00  10.0 10.00   4.00  43.34) =  49.703%  kept
        T HB3   GLU-  14 - HA    MET   11  10.27 +/- 1.58   0.057% *  0.6819% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HG3   MET   11 - HA    GLU-  14  10.93 +/- 1.10   0.034% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   11  18.69 +/- 4.10   0.003% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  14  14.86 +/- 1.64   0.004% *  0.0050% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  16.18 +/- 1.89   0.002% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  21.93 +/- 3.02   0.000% *  0.0222% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  21.94 +/- 1.47   0.000% *  0.0194% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  21.16 +/- 1.69   0.000% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  28.49 +/- 3.57   0.000% *  0.0495% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  30.40 +/- 1.77   0.000% *  0.0323% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  28.96 +/- 1.47   0.000% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  36.55 +/- 3.48   0.000% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 6 (4.29, 2.08, 30.22 ppm):
    36 chemical-shift based assignments, quality = 0.555, support = 3.44, residual support = 45.4:
      O T HA    GLU-  14 - HB2   GLU-  14   2.73 +/- 0.16  81.676% * 12.3460% (0.15  10.0 10.00   2.96  48.27) =  51.684%  kept
    * O T HA    MET   11 - HG2   MET   11   3.84 +/- 0.29  11.348% * 80.1934% (1.00  10.0 10.00   4.00  43.34) =  46.643%  kept
          HA    ALA   12 - HG2   MET   11   4.74 +/- 0.91   5.438% *  5.9993% (0.53   1.0  1.00   2.84  12.12) =   1.672%  kept
        T HA    MET   11 - HB2   GLU-  14  10.37 +/- 1.41   0.046% *  0.3003% (0.37   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  14 - HG2   MET   11  11.00 +/- 0.99   0.025% *  0.3297% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   GLU-  14   7.37 +/- 1.00   0.339% *  0.0158% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ARG+  54   6.07 +/- 0.61   0.863% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   ARG+  54   7.71 +/- 1.17   0.244% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  14.79 +/- 2.17   0.009% *  0.0077% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  14  15.22 +/- 2.23   0.004% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG2   MET   11  20.45 +/- 3.88   0.001% *  0.0390% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  15.87 +/- 2.40   0.004% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  18.79 +/- 1.80   0.001% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  27.49 +/- 2.99   0.000% *  0.0800% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.60 +/- 1.91   0.000% *  0.0277% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  34.49 +/- 5.06   0.000% *  0.0775% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  25.66 +/- 3.16   0.000% *  0.0319% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG2   MET   11  29.26 +/- 5.00   0.000% *  0.0454% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   GLU-  14  22.89 +/- 1.98   0.000% *  0.0170% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  30.46 +/- 3.64   0.000% *  0.0740% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  25.29 +/- 1.73   0.000% *  0.0294% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ARG+  54  20.25 +/- 3.31   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  14  19.94 +/- 2.43   0.001% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  32.95 +/- 4.11   0.000% *  0.0786% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  22.81 +/- 2.51   0.000% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG2   MET   11  37.65 +/- 5.97   0.000% *  0.0301% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  24.64 +/- 3.08   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  14  28.81 +/- 4.40   0.000% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  36.84 +/- 4.89   0.000% *  0.0786% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  30.04 +/- 2.07   0.000% *  0.0294% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  34.92 +/- 5.33   0.000% *  0.0390% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  28.57 +/- 2.34   0.000% *  0.0146% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG2   MET   11  29.28 +/- 2.36   0.000% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  24.89 +/- 2.16   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  31.12 +/- 4.45   0.000% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ARG+  54  28.15 +/- 2.88   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 7 (2.29, 2.08, 30.22 ppm):
    33 chemical-shift based assignments, quality = 0.874, support = 3.29, residual support = 44.1:
    * O T QB    MET   11 - HG2   MET   11   2.30 +/- 0.15  52.114% * 80.4450% (1.00  10.0 10.00   3.31  43.34) =  84.005%  kept
      O T QG    GLU-  14 - HB2   GLU-  14   2.35 +/- 0.13  46.788% * 17.0553% (0.21  10.0 10.00   3.20  48.27) =  15.990%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.41 +/- 0.91   1.018% *  0.2188% (0.27   1.0 10.00   0.02   1.19) =   0.004%
        T QG    GLU-  14 - HG2   MET   11  10.05 +/- 1.75   0.024% *  0.4554% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   GLU-  14   9.59 +/- 1.24   0.014% *  0.3012% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  12.45 +/- 1.57   0.003% *  0.5842% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   MET   11  19.37 +/- 5.39   0.002% *  0.3019% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  11.31 +/- 1.88   0.009% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   GLU-  14  17.77 +/- 2.90   0.001% *  0.1131% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  14.28 +/- 2.69   0.015% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   ARG+  54  11.73 +/- 2.66   0.006% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  17.53 +/- 2.96   0.003% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  14.83 +/- 1.64   0.001% *  0.0120% (0.01   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  16.57 +/- 2.06   0.000% *  0.0183% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  20.39 +/- 2.70   0.000% *  0.0392% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  22.37 +/- 2.61   0.000% *  0.0565% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  22.65 +/- 3.32   0.000% *  0.0440% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   ARG+  54  13.86 +/- 1.66   0.001% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  16.58 +/- 2.00   0.001% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  25.51 +/- 3.14   0.000% *  0.0488% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  31.09 +/- 4.13   0.000% *  0.0778% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   11  27.54 +/- 5.18   0.000% *  0.0201% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   GLU-  14  20.78 +/- 2.07   0.000% *  0.0075% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   ARG+  54  19.12 +/- 2.89   0.000% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  22.38 +/- 2.22   0.000% *  0.0046% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  33.55 +/- 4.62   0.000% *  0.0331% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  26.90 +/- 2.47   0.000% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  14  25.40 +/- 1.96   0.000% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  14  28.67 +/- 2.32   0.000% *  0.0113% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   11  33.37 +/- 1.79   0.000% *  0.0248% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   ARG+  54  35.12 +/- 2.80   0.000% *  0.0292% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  31.10 +/- 2.55   0.000% *  0.0124% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   11  37.40 +/- 3.33   0.000% *  0.0302% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 9 (2.08, 2.08, 30.22 ppm):
    3 diagonal assignments:
    *     HG2   MET   11 - HG2   MET   11  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.37)  kept
          HB2   ARG+  54 - HB2   ARG+  54  (0.02)  kept
 
    Peak 10 (1.92, 2.08, 30.22 ppm):
    21 chemical-shift based assignments, quality = 0.831, support = 3.74, residual support = 44.6:
    * O T HG3   MET   11 - HG2   MET   11   1.75 +/- 0.00  49.996% * 72.5786% (1.00  10.0 10.00   4.00  43.34) =  73.842%  kept
      O T HB3   GLU-  14 - HB2   GLU-  14   1.75 +/- 0.00  49.997% * 25.7103% (0.35  10.0 10.00   3.00  48.27) =  26.158%  kept
        T HB3   GLU-  14 - HG2   MET   11  10.98 +/- 1.56   0.002% *  0.6866% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   GLU-  14  10.96 +/- 1.53   0.001% *  0.2718% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ARG+  54  10.04 +/- 1.31   0.002% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB2   GLU-  14  21.54 +/- 2.21   0.000% *  0.1219% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   MET   11  19.68 +/- 4.34   0.000% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLU-  14  13.81 +/- 1.89   0.000% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   GLU-  14  15.91 +/- 2.25   0.000% *  0.0084% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ARG+  54  13.01 +/- 1.81   0.000% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG2   MET   11  30.67 +/- 1.87   0.000% *  0.3254% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HB2   ARG+  54  25.83 +/- 3.36   0.000% *  0.0664% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   11  22.68 +/- 3.34   0.000% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   GLU-  14  21.36 +/- 1.88   0.000% *  0.0187% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   ARG+  54  18.68 +/- 2.19   0.000% *  0.0048% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG2   MET   11  29.36 +/- 3.37   0.000% *  0.0499% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   ARG+  54  34.81 +/- 4.78   0.000% *  0.0702% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HB2   ARG+  54  25.26 +/- 2.71   0.000% *  0.0123% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   ARG+  54  24.42 +/- 2.72   0.000% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLU-  14  28.57 +/- 1.83   0.000% *  0.0076% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   MET   11  37.21 +/- 3.14   0.000% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 11 (4.29, 1.92, 30.22 ppm):
    24 chemical-shift based assignments, quality = 0.76, support = 3.7, residual support = 44.2:
    * O T HA    MET   11 - HG3   MET   11   3.45 +/- 0.60  25.308% * 80.7841% (1.00  10.0 10.00   4.00  43.34) =  71.134%  kept
      O T HA    GLU-  14 - HB3   GLU-  14   2.77 +/- 0.25  66.220% * 11.7910% (0.15  10.0 10.00   2.96  48.27) =  27.166%  kept
          HA    ALA   12 - HG3   MET   11   4.47 +/- 0.99   7.951% *  6.1395% (0.53   1.0  1.00   2.89  12.12) =   1.699%  kept
        T HA    MET   11 - HB3   GLU-  14  10.27 +/- 1.58   0.052% *  0.2868% (0.36   1.0 10.00   0.02   0.02) =   0.001%
        T HA    GLU-  14 - HG3   MET   11  10.93 +/- 1.10   0.030% *  0.3321% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   GLU-  14   7.26 +/- 1.20   0.429% *  0.0151% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  14  15.10 +/- 2.37   0.005% *  0.0140% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   MET   11  20.85 +/- 3.78   0.001% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  14  18.72 +/- 1.67   0.001% *  0.0286% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   MET   11  27.63 +/- 3.01   0.000% *  0.0806% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  14  23.50 +/- 1.78   0.000% *  0.0265% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   GLU-  14  22.72 +/- 2.06   0.000% *  0.0162% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG3   MET   11  29.13 +/- 4.97   0.000% *  0.0457% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  14  25.16 +/- 1.82   0.000% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   MET   11  30.78 +/- 3.55   0.000% *  0.0746% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  14  20.05 +/- 2.07   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   MET   11  32.95 +/- 4.07   0.000% *  0.0792% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   MET   11  36.90 +/- 4.90   0.000% *  0.0792% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  14  29.83 +/- 2.20   0.000% *  0.0281% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   MET   11  37.68 +/- 5.97   0.000% *  0.0303% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  14  28.81 +/- 4.05   0.000% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   MET   11  35.02 +/- 5.31   0.000% *  0.0393% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   GLU-  14  28.35 +/- 2.56   0.000% *  0.0140% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   MET   11  29.36 +/- 2.59   0.000% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 12 (2.29, 1.92, 30.22 ppm):
    22 chemical-shift based assignments, quality = 0.861, support = 3.29, residual support = 44.2:
    * O T QB    MET   11 - HG3   MET   11   2.45 +/- 0.14  48.334% * 81.3901% (1.00  10.0 10.00   3.31  43.34) =  82.583%  kept
      O T QG    GLU-  14 - HB3   GLU-  14   2.43 +/- 0.13  50.701% * 16.3595% (0.20  10.0 10.00   3.20  48.27) =  17.412%  kept
        T QG    GLU-  15 - HB3   GLU-  14   5.40 +/- 0.91   0.896% *  0.2098% (0.26   1.0 10.00   0.02   1.19) =   0.004%
        T QG    GLU-  14 - HG3   MET   11   9.98 +/- 1.70   0.024% *  0.4608% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB3   GLU-  14   9.52 +/- 1.47   0.028% *  0.2890% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG3   MET   11  12.60 +/- 1.70   0.004% *  0.5910% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   MET   11  19.73 +/- 5.10   0.001% *  0.3055% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  14  11.28 +/- 1.62   0.009% *  0.0141% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB3   GLU-  14  17.52 +/- 3.02   0.001% *  0.1084% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  14  16.52 +/- 1.82   0.001% *  0.0175% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   MET   11  20.55 +/- 2.77   0.000% *  0.0396% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   MET   11  25.61 +/- 3.18   0.000% *  0.0494% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   MET   11  27.44 +/- 5.16   0.000% *  0.0203% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   GLU-  14  20.61 +/- 2.29   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  14  22.49 +/- 1.99   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   GLU-  14  26.76 +/- 2.73   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB3   GLU-  14  25.44 +/- 1.96   0.000% *  0.0089% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG3   MET   11  33.60 +/- 4.72   0.000% *  0.0335% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  14  28.60 +/- 2.15   0.000% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   MET   11  33.57 +/- 1.95   0.000% *  0.0251% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   MET   11  31.35 +/- 2.72   0.000% *  0.0126% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG3   MET   11  37.46 +/- 3.40   0.000% *  0.0305% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 14 (2.08, 1.92, 30.22 ppm):
    16 chemical-shift based assignments, quality = 0.831, support = 3.74, residual support = 44.6:
    * O T HG2   MET   11 - HG3   MET   11   1.75 +/- 0.00  49.997% * 71.8618% (1.00  10.0 10.00   4.00  43.34) =  73.842%  kept
      O T HB2   GLU-  14 - HB3   GLU-  14   1.75 +/- 0.00  49.998% * 25.4564% (0.35  10.0 10.00   3.00  48.27) =  26.158%  kept
        T HB2   GLU-  14 - HG3   MET   11  10.96 +/- 1.53   0.001% *  0.7170% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HB3   GLU-  14  10.98 +/- 1.56   0.002% *  0.2551% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   GLU-  14  12.76 +/- 3.18   0.001% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   MET   11  19.71 +/- 4.11   0.000% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   MET   11  32.32 +/- 2.11   0.000% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   MET   11  38.09 +/- 5.41   0.000% *  0.7044% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLU-  14  25.83 +/- 3.36   0.000% *  0.0447% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   GLU-  14  23.19 +/- 1.80   0.000% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   MET   11  34.81 +/- 4.78   0.000% *  0.1259% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLU-  14  22.91 +/- 2.22   0.000% *  0.0105% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HB3   GLU-  14  29.11 +/- 3.39   0.000% *  0.0250% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   MET   11  31.92 +/- 3.40   0.000% *  0.0295% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLU-  14  28.02 +/- 1.91   0.000% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   MET   11  36.69 +/- 3.00   0.000% *  0.0097% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 15 (1.92, 1.92, 30.22 ppm):
    2 diagonal assignments:
    *     HG3   MET   11 - HG3   MET   11  (1.00)  kept
          HB3   GLU-  14 - HB3   GLU-  14  (0.34)  kept
 
    Peak 16 (4.29, 2.29, 36.10 ppm):
    48 chemical-shift based assignments, quality = 0.906, support = 3.38, residual support = 43.9:
    * O T HA    MET   11 - QB    MET   11   2.29 +/- 0.12  50.556% * 85.1002% (1.00  10.0 10.00   3.37  43.34) =  89.114%  kept
      O T HA    GLU-  14 - QG    GLU-  14   2.45 +/- 0.58  46.272% * 11.3536% (0.13  10.0 10.00   3.49  48.27) =  10.882%  kept
          HA    ALA   12 - QB    MET   11   4.07 +/- 0.17   2.027% *  0.0448% (0.53   1.0  1.00   0.02  12.12) =   0.002%
        T HA    GLU-  14 - QG    GLU-  15   4.85 +/- 0.67   0.837% *  0.0843% (0.10   1.0 10.00   0.02   1.19) =   0.001%
        T HA    MET   11 - QG    GLU-  14   9.52 +/- 1.52   0.049% *  0.2762% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - QB    MET   11   9.47 +/- 0.73   0.013% *  0.3499% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  14   6.81 +/- 1.07   0.175% *  0.0145% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  11.88 +/- 1.73   0.007% *  0.2052% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   9.56 +/- 1.37   0.028% *  0.0108% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  15  10.53 +/- 2.52   0.022% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  15.64 +/- 1.58   0.001% *  0.2047% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  16.74 +/- 1.32   0.000% *  0.2756% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  24.42 +/- 2.52   0.000% *  0.8491% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - QB    MET   11  26.14 +/- 4.17   0.000% *  0.4818% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   GLU-  36  10.46 +/- 1.30   0.007% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  14  13.95 +/- 2.14   0.002% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    MET   11  17.93 +/- 3.08   0.000% *  0.0414% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG3   GLU-  36  18.26 +/- 4.81   0.001% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  18.44 +/- 2.38   0.000% *  0.0189% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG3   GLU-  36  19.05 +/- 4.74   0.001% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  21.32 +/- 1.84   0.000% *  0.0255% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  26.93 +/- 2.93   0.000% *  0.0786% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  14  25.38 +/- 3.93   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  14  20.22 +/- 1.82   0.000% *  0.0156% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  29.44 +/- 3.49   0.000% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  22.43 +/- 1.54   0.000% *  0.0271% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   GLU-  36  18.79 +/- 0.74   0.000% *  0.0098% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    MET   11  33.72 +/- 5.01   0.000% *  0.0319% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  14  17.57 +/- 1.79   0.000% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  15  16.68 +/- 1.16   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG3   GLU-  36  18.64 +/- 2.77   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  23.04 +/- 1.60   0.000% *  0.0201% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HG3   GLU-  36  27.22 +/- 0.93   0.000% *  0.0600% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  32.86 +/- 4.13   0.000% *  0.0834% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  15  22.05 +/- 1.58   0.000% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  31.12 +/- 4.50   0.000% *  0.0414% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   GLU-  36  22.29 +/- 0.66   0.000% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  26.77 +/- 1.64   0.000% *  0.0271% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  15  25.39 +/- 2.85   0.000% *  0.0077% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  25.54 +/- 2.01   0.000% *  0.0134% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  26.99 +/- 1.30   0.000% *  0.0201% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    MET   11  26.13 +/- 1.88   0.000% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  25.45 +/- 1.45   0.000% *  0.0100% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   GLU-  36  25.13 +/- 2.70   0.000% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   GLU-  36  28.88 +/- 2.07   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   GLU-  36  29.05 +/- 1.61   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   GLU-  36  29.03 +/- 2.37   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   GLU-  36  36.78 +/- 2.60   0.000% *  0.0040% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.848, support = 3.29, residual support = 44.5:
    * O T HG2   MET   11 - QB    MET   11   2.30 +/- 0.15  51.655% * 73.8446% (1.00  10.0 10.00   3.31  43.34) =  77.464%  kept
      O T HB2   GLU-  14 - QG    GLU-  14   2.35 +/- 0.13  46.401% * 23.9110% (0.32  10.0 10.00   3.20  48.27) =  22.532%  kept
        T HB2   GLU-  14 - QG    GLU-  15   5.41 +/- 0.91   1.015% *  0.1776% (0.24   1.0 10.00   0.02   1.19) =   0.004%
        T HB2   GLU-  14 - QB    MET   11   9.59 +/- 1.24   0.014% *  0.7368% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - QG    GLU-  14  10.05 +/- 1.75   0.023% *  0.2396% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  15   7.15 +/- 3.28   0.875% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - QG    GLU-  15  12.45 +/- 1.57   0.003% *  0.1780% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HG3   GLU-  36  19.37 +/- 5.39   0.002% *  0.0920% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HG3   GLU-  36  17.77 +/- 2.90   0.001% *  0.0918% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  14  11.55 +/- 2.80   0.009% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    MET   11  16.96 +/- 3.60   0.001% *  0.0205% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  14  22.65 +/- 3.32   0.000% *  0.0420% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QB    MET   11  31.09 +/- 4.13   0.000% *  0.1293% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  15  18.74 +/- 1.09   0.000% *  0.0175% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  15  22.37 +/- 2.61   0.000% *  0.0312% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  14  20.35 +/- 1.61   0.000% *  0.0235% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  14  25.75 +/- 3.30   0.000% *  0.0235% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  14  20.39 +/- 1.93   0.000% *  0.0099% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  15  19.73 +/- 1.54   0.000% *  0.0073% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QB    MET   11  34.00 +/- 4.40   0.000% *  0.0724% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QB    MET   11  28.68 +/- 1.43   0.000% *  0.0724% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   GLU-  36  31.88 +/- 2.08   0.000% *  0.0902% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  15  25.26 +/- 2.13   0.000% *  0.0175% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    MET   11  28.38 +/- 2.82   0.000% *  0.0304% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   GLU-  36  19.20 +/- 2.71   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   GLU-  36  35.41 +/- 2.67   0.000% *  0.0902% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  15  23.08 +/- 1.56   0.000% *  0.0024% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  14  25.06 +/- 1.35   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   GLU-  36  35.12 +/- 2.80   0.000% *  0.0161% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QB    MET   11  32.41 +/- 2.46   0.000% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   GLU-  36  28.70 +/- 1.47   0.000% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   GLU-  36  29.08 +/- 1.09   0.000% *  0.0012% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 20 (1.92, 2.29, 36.10 ppm):
    28 chemical-shift based assignments, quality = 0.831, support = 3.28, residual support = 44.5:
    * O T HG3   MET   11 - QB    MET   11   2.45 +/- 0.14  48.323% * 75.1074% (1.00  10.0 10.00   3.31  43.34) =  75.639%  kept
      O T HB3   GLU-  14 - QG    GLU-  14   2.43 +/- 0.13  50.689% * 23.0568% (0.31  10.0 10.00   3.20  48.27) =  24.357%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.40 +/- 0.91   0.896% *  0.1713% (0.23   1.0 10.00   0.02   1.19) =   0.003%
        T HB3   GLU-  14 - QB    MET   11   9.52 +/- 1.47   0.028% *  0.7105% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  14   9.98 +/- 1.70   0.024% *  0.2437% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  15  12.60 +/- 1.70   0.004% *  0.1811% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HG3   GLU-  36  17.52 +/- 3.02   0.001% *  0.0885% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  10.88 +/- 2.45   0.015% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   GLU-  36  19.73 +/- 5.10   0.001% *  0.0936% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  14  12.49 +/- 1.67   0.004% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QB    MET   11  17.38 +/- 3.53   0.001% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  15  12.35 +/- 1.54   0.004% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  14.50 +/- 2.08   0.002% *  0.0075% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   GLU-  36  11.48 +/- 0.44   0.005% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  17.38 +/- 1.61   0.000% *  0.0124% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  19.95 +/- 2.63   0.000% *  0.0232% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  19.17 +/- 1.51   0.000% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG3   GLU-  36  14.40 +/- 1.10   0.001% *  0.0029% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  17.55 +/- 1.10   0.000% *  0.0081% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  19.01 +/- 1.83   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  25.37 +/- 1.37   0.000% *  0.0678% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  24.55 +/- 1.48   0.000% *  0.0503% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  26.03 +/- 2.78   0.000% *  0.0516% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  27.32 +/- 1.46   0.000% *  0.0337% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HG3   GLU-  36  20.88 +/- 0.82   0.000% *  0.0064% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  33.15 +/- 2.63   0.000% *  0.0209% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   GLU-  36  31.76 +/- 2.14   0.000% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   GLU-  36  32.18 +/- 1.11   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 26 (4.31, 4.31, 53.06 ppm):
    1 diagonal assignment:
    *     HA    ALA   12 - HA    ALA   12  (0.75)  kept
 
    Peak 27 (1.39, 4.31, 53.06 ppm):
    13 chemical-shift based assignments, quality = 0.821, support = 2.0, residual support = 12.4:
    * O T QB    ALA   12 - HA    ALA   12   2.13 +/- 0.02  99.995% * 99.1918% (0.82  10.0 10.00   2.00  12.38) = 100.000%  kept
          HG3   LYS+  33 - HA    ALA   12  16.42 +/- 4.22   0.002% *  0.0992% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   12  19.26 +/- 3.44   0.001% *  0.0876% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   12  18.95 +/- 3.35   0.001% *  0.0470% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   12  19.54 +/- 2.65   0.000% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   12  18.68 +/- 1.77   0.000% *  0.0940% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA   12  22.60 +/- 3.20   0.000% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   12  25.60 +/- 4.22   0.000% *  0.0292% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   12  30.87 +/- 3.74   0.000% *  0.0840% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   12  30.65 +/- 2.73   0.000% *  0.0636% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   12  30.84 +/- 4.03   0.000% *  0.0431% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   12  34.27 +/- 3.25   0.000% *  0.0761% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   12  28.51 +/- 2.84   0.000% *  0.0142% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 28 (4.31, 1.39, 19.22 ppm):
    9 chemical-shift based assignments, quality = 0.821, support = 2.0, residual support = 12.4:
    * O T HA    ALA   12 - QB    ALA   12   2.13 +/- 0.02  96.692% * 99.5569% (0.82  10.0 10.00   2.00  12.38) =  99.999%  kept
          HA    MET   11 - QB    ALA   12   3.80 +/- 0.17   3.059% *  0.0286% (0.24   1.0  1.00   0.02  12.12) =   0.001%
          HA    GLU-  14 - QB    ALA   12   5.89 +/- 0.50   0.249% *  0.1086% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    ALA   12  24.45 +/- 2.88   0.000% *  0.1086% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   12  19.76 +/- 2.50   0.000% *  0.0256% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    ALA   12  26.63 +/- 3.93   0.000% *  0.1029% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   12  24.44 +/- 3.19   0.000% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    ALA   12  27.03 +/- 3.77   0.000% *  0.0286% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   12  28.03 +/- 3.66   0.000% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 29 (1.39, 1.39, 19.22 ppm):
    1 diagonal assignment:
    *     QB    ALA   12 - QB    ALA   12  (0.89)  kept
 
    Peak 30 (4.41, 4.41, 58.75 ppm):
    3 diagonal assignments:
    *     HA    SER   13 - HA    SER   13  (1.00)  kept
          HA    THR   46 - HA    THR   46  (0.39)  kept
          HA    SER   37 - HA    SER   37  (0.30)  kept
 
    Peak 31 (3.86, 4.41, 58.75 ppm):
    24 chemical-shift based assignments, quality = 0.924, support = 2.03, residual support = 10.4:
    * O T QB    SER   13 - HA    SER   13   2.47 +/- 0.11  72.553% * 64.9056% (1.00  10.0 10.00   1.93   7.40) =  84.651%  kept
      O T HB3   SER   37 - HA    SER   37   2.95 +/- 0.15  26.023% * 32.8086% (0.51  10.0 10.00   2.58  26.70) =  15.348%  kept
          HA    ILE   89 - HA    THR   46   9.05 +/- 2.22   0.990% *  0.0372% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB    THR   39 - HA    SER   37   6.22 +/- 0.59   0.358% *  0.0346% (0.53   1.0  1.00   0.02   2.76) =   0.000%
        T HB3   SER   37 - HA    SER   13  14.67 +/- 3.39   0.004% *  0.6140% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    SER   37  15.16 +/- 3.76   0.005% *  0.3468% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    THR   46   9.39 +/- 1.31   0.037% *  0.0134% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  14.59 +/- 3.09   0.005% *  0.0648% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  15.06 +/- 2.23   0.004% *  0.0341% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   37  10.68 +/- 0.41   0.012% *  0.0096% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   13  14.81 +/- 3.58   0.005% *  0.0180% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  22.92 +/- 2.51   0.000% *  0.3928% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  14.61 +/- 1.53   0.002% *  0.0238% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  24.48 +/- 0.84   0.000% *  0.3716% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.19 +/- 0.96   0.000% *  0.0392% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  27.43 +/- 3.47   0.000% *  0.0563% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   46  19.74 +/- 1.03   0.000% *  0.0109% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  25.43 +/- 2.13   0.000% *  0.0301% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  26.98 +/- 1.83   0.000% *  0.0394% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  24.79 +/- 1.71   0.000% *  0.0210% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  30.90 +/- 3.89   0.000% *  0.0614% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  29.02 +/- 2.28   0.000% *  0.0328% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   13  32.15 +/- 4.10   0.000% *  0.0221% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   37  34.72 +/- 2.73   0.000% *  0.0118% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 32 (4.41, 3.86, 64.22 ppm):
    22 chemical-shift based assignments, quality = 0.925, support = 2.04, residual support = 10.5:
    * O T HA    SER   13 - QB    SER   13   2.47 +/- 0.11  73.127% * 63.8850% (1.00  10.0 10.00   1.93   7.40) =  84.061%  kept
      O T HA    SER   37 - HB3   SER   37   2.95 +/- 0.15  26.202% * 33.8056% (0.53  10.0 10.00   2.58  26.70) =  15.938%  kept
          HA    GLU-  15 - QB    SER   13   7.00 +/- 0.76   0.206% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   SER   37   6.07 +/- 0.32   0.357% *  0.0133% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   SER   37   8.40 +/- 0.35   0.051% *  0.0565% (0.88   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  14.67 +/- 3.39   0.005% *  0.5971% (0.93   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QB    SER   13  15.16 +/- 3.76   0.005% *  0.3617% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    SER   13  10.56 +/- 1.07   0.016% *  0.0362% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   SER   37  12.95 +/- 2.05   0.008% *  0.0597% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   SER   37   9.96 +/- 0.67   0.019% *  0.0081% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  17.11 +/- 2.63   0.001% *  0.0604% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  22.92 +/- 2.51   0.000% *  0.4133% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  24.48 +/- 0.84   0.000% *  0.3863% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  17.02 +/- 1.39   0.001% *  0.0338% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  20.14 +/- 1.50   0.000% *  0.0637% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    SER   13  18.49 +/- 3.49   0.001% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   SER   37  20.94 +/- 4.07   0.000% *  0.0204% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  24.77 +/- 1.79   0.000% *  0.0596% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    SER   13  21.10 +/- 2.51   0.000% *  0.0218% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    SER   13  19.36 +/- 2.81   0.001% *  0.0086% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    SER   13  23.68 +/- 1.24   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   SER   37  26.69 +/- 1.96   0.000% *  0.0149% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 33 (3.86, 3.86, 64.22 ppm):
    2 diagonal assignments:
    *     QB    SER   13 - QB    SER   13  (1.00)  kept
          HB3   SER   37 - HB3   SER   37  (0.88)  kept
 
    Peak 34 (4.31, 4.31, 56.62 ppm):
    2 diagonal assignments:
    *     HA    GLU-  14 - HA    GLU-  14  (1.00)  kept
          HA    MET   11 - HA    MET   11  (0.16)  kept
 
    Peak 35 (2.08, 4.31, 56.62 ppm):
    16 chemical-shift based assignments, quality = 0.968, support = 3.01, residual support = 48.0:
    * O T HB2   GLU-  14 - HA    GLU-  14   2.73 +/- 0.16  87.644% * 70.8449% (1.00  10.0 10.00   2.96  48.27) =  94.823%  kept
      O T HG2   MET   11 - HA    MET   11   3.84 +/- 0.29  12.220% * 27.7398% (0.39  10.0 10.00   4.00  43.34) =   5.177%  kept
        T HG2   MET   11 - HA    GLU-  14  11.00 +/- 0.99   0.028% *  0.7069% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    MET   11  10.37 +/- 1.41   0.050% *  0.2780% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  12.04 +/- 3.47   0.049% *  0.0219% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    GLU-  14  17.13 +/- 1.99   0.002% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  25.66 +/- 3.16   0.000% *  0.1093% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  22.75 +/- 1.40   0.000% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  18.94 +/- 3.94   0.002% *  0.0086% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    MET   11  17.99 +/- 4.25   0.004% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  23.29 +/- 1.65   0.000% *  0.0266% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  29.36 +/- 3.20   0.000% *  0.0702% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  34.49 +/- 5.06   0.000% *  0.0429% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  37.64 +/- 5.39   0.000% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  31.86 +/- 1.96   0.000% *  0.0276% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  31.28 +/- 3.64   0.000% *  0.0104% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 36 (2.27, 4.31, 56.62 ppm):
    18 chemical-shift based assignments, quality = 0.848, support = 3.45, residual support = 46.7:
    * O T QG    GLU-  14 - HA    GLU-  14   2.45 +/- 0.58  46.990% * 45.0668% (1.00  10.0 10.00   3.49  48.27) =  79.119%  kept
      O T QB    MET   11 - HA    MET   11   2.29 +/- 0.12  52.068% * 10.0127% (0.22  10.0 10.00   3.37  43.34) =  19.478%  kept
        T QG    GLU-  15 - HA    GLU-  14   4.85 +/- 0.67   0.863% * 43.4925% (0.97   1.0 10.00   2.39   1.19) =   1.402%  kept
        T QG    GLU-  14 - HA    MET   11   9.52 +/- 1.52   0.051% *  0.1769% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  14   9.47 +/- 0.73   0.013% *  0.2551% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    MET   11  11.88 +/- 1.73   0.007% *  0.1707% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLU-  14  11.64 +/- 1.30   0.006% *  0.0447% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    GLU-  14  17.04 +/- 1.42   0.000% *  0.4497% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   11  24.76 +/- 3.38   0.000% *  0.1765% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  14  17.09 +/- 2.01   0.000% *  0.0139% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   11  18.73 +/- 4.75   0.001% *  0.0055% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   11  19.71 +/- 2.74   0.000% *  0.0175% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  14  22.20 +/- 1.50   0.000% *  0.0310% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  14  27.48 +/- 2.37   0.000% *  0.0435% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    MET   11  32.96 +/- 4.80   0.000% *  0.0171% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   11  30.59 +/- 2.53   0.000% *  0.0121% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  14  29.39 +/- 1.61   0.000% *  0.0100% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    MET   11  37.25 +/- 3.62   0.000% *  0.0039% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 38 (4.31, 2.08, 30.50 ppm):
    30 chemical-shift based assignments, quality = 0.979, support = 2.97, residual support = 48.0:
    * O T HA    GLU-  14 - HB2   GLU-  14   2.73 +/- 0.16  82.587% * 81.8342% (1.00  10.0 10.00   2.96  48.27) =  97.571%  kept
      O T HA    MET   11 - HG2   MET   11   3.84 +/- 0.29  11.486% * 12.5986% (0.15  10.0 10.00   4.00  43.34) =   2.089%  kept
          HA    ALA   12 - HG2   MET   11   4.74 +/- 0.91   5.497% *  4.2712% (0.37   1.0  1.00   2.84  12.12) =   0.339%
          HA    ALA   12 - HB2   GLU-  14   7.37 +/- 1.00   0.343% *  0.0802% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   GLU-  14  10.37 +/- 1.41   0.047% *  0.3364% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HG2   MET   11  11.00 +/- 0.99   0.025% *  0.3065% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  14.79 +/- 2.17   0.009% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  18.79 +/- 1.80   0.001% *  0.0307% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  25.66 +/- 3.16   0.000% *  0.1203% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  15.87 +/- 2.40   0.004% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   GLU-  14  25.09 +/- 2.31   0.000% *  0.0655% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  28.57 +/- 2.34   0.000% *  0.0811% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ARG+  54  24.99 +/- 3.59   0.000% *  0.0096% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.60 +/- 1.91   0.000% *  0.0182% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  34.49 +/- 5.06   0.000% *  0.0495% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  25.29 +/- 1.73   0.000% *  0.0253% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  24.89 +/- 2.16   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  22.81 +/- 2.51   0.000% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  30.04 +/- 2.07   0.000% *  0.0253% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  27.49 +/- 2.99   0.000% *  0.0115% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HG2   MET   11  31.98 +/- 3.86   0.000% *  0.0245% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  31.12 +/- 4.45   0.000% *  0.0118% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  34.92 +/- 5.33   0.000% *  0.0304% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   GLU-  14  28.56 +/- 2.56   0.000% *  0.0111% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  24.64 +/- 3.08   0.000% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   ARG+  54  22.42 +/- 2.17   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  30.46 +/- 3.64   0.000% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  32.95 +/- 4.11   0.000% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  36.84 +/- 4.89   0.000% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HG2   MET   11  35.68 +/- 4.85   0.000% *  0.0041% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.849, support = 3.22, residual support = 47.3:
    * O T QG    GLU-  14 - HB2   GLU-  14   2.35 +/- 0.13  46.788% * 80.2785% (1.00  10.0 10.00   3.20  48.27) =  80.882%  kept
      O T QB    MET   11 - HG2   MET   11   2.30 +/- 0.15  52.115% * 17.0200% (0.21  10.0 10.00   3.31  43.34) =  19.100%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.41 +/- 0.91   1.018% *  0.7747% (0.97   1.0 10.00   0.02   1.19) =   0.017%
        T QG    GLU-  14 - HG2   MET   11  10.05 +/- 1.75   0.024% *  0.3006% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   GLU-  14   9.59 +/- 1.24   0.014% *  0.4545% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  12.45 +/- 1.57   0.003% *  0.2901% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  11.31 +/- 1.88   0.009% *  0.0796% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  14.28 +/- 2.69   0.015% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  14.83 +/- 1.64   0.001% *  0.0811% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  16.57 +/- 2.06   0.000% *  0.0801% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  17.53 +/- 2.96   0.003% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG2   MET   11  19.74 +/- 5.21   0.004% *  0.0093% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU-  14  15.86 +/- 2.30   0.001% *  0.0248% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  22.65 +/- 3.32   0.000% *  0.1181% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ARG+  54  11.96 +/- 2.80   0.005% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  22.37 +/- 2.61   0.000% *  0.1139% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  16.58 +/- 2.00   0.001% *  0.0114% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  20.39 +/- 2.70   0.000% *  0.0298% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  22.38 +/- 2.22   0.000% *  0.0551% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  26.90 +/- 2.47   0.000% *  0.0775% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  31.09 +/- 4.13   0.000% *  0.0668% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  25.51 +/- 3.14   0.000% *  0.0300% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  33.55 +/- 4.62   0.000% *  0.0290% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU-  14  29.07 +/- 2.34   0.000% *  0.0179% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  31.10 +/- 2.55   0.000% *  0.0207% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ARG+  54  28.94 +/- 2.77   0.000% *  0.0036% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   MET   11  37.85 +/- 3.30   0.000% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 42 (4.31, 2.27, 36.31 ppm):
    30 chemical-shift based assignments, quality = 0.89, support = 3.47, residual support = 47.6:
    * O T HA    GLU-  14 - QG    GLU-  14   2.45 +/- 0.58  46.285% * 85.4905% (1.00  10.0 10.00   3.49  48.27) =  87.263%  kept
      O T HA    MET   11 - QB    MET   11   2.29 +/- 0.12  50.576% * 11.4057% (0.13  10.0 10.00   3.37  43.34) =  12.722%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.85 +/- 0.67   0.837% *  0.7522% (0.88   1.0 10.00   0.02   1.19) =   0.014%
          HA    ALA   12 - QB    MET   11   4.07 +/- 0.17   2.028% *  0.0272% (0.32   1.0  1.00   0.02  12.12) =   0.001%
        T HA    MET   11 - QG    GLU-  14   9.52 +/- 1.52   0.049% *  0.3515% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  14   6.81 +/- 1.07   0.175% *  0.0838% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - QB    MET   11   9.47 +/- 0.73   0.013% *  0.2774% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  11.88 +/- 1.73   0.007% *  0.3092% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   9.56 +/- 1.37   0.028% *  0.0737% (0.86   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  15.64 +/- 1.58   0.001% *  0.2823% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  16.74 +/- 1.32   0.000% *  0.3209% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  15  19.25 +/- 2.47   0.000% *  0.0602% (0.70   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  24.42 +/- 2.52   0.000% *  0.1041% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  18.44 +/- 2.38   0.000% *  0.0167% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  14  22.66 +/- 2.07   0.000% *  0.0685% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  25.54 +/- 2.01   0.000% *  0.0847% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  25.45 +/- 1.45   0.000% *  0.0746% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  21.32 +/- 1.84   0.000% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  22.43 +/- 1.54   0.000% *  0.0264% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  23.04 +/- 1.60   0.000% *  0.0232% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  26.77 +/- 1.64   0.000% *  0.0264% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  26.99 +/- 1.30   0.000% *  0.0232% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  31.12 +/- 4.50   0.000% *  0.0275% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    MET   11  28.28 +/- 3.04   0.000% *  0.0222% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  14  25.53 +/- 2.09   0.000% *  0.0116% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  15  24.90 +/- 1.87   0.000% *  0.0102% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  29.44 +/- 3.49   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  26.93 +/- 2.93   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  32.86 +/- 4.13   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    MET   11  31.77 +/- 4.06   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.843, support = 3.22, residual support = 47.2:
    * O T HB3   GLU-  14 - QG    GLU-  14   2.43 +/- 0.13  50.698% * 74.4402% (1.00  10.0 10.00   3.20  48.27) =  77.350%  kept
      O T HG3   MET   11 - QB    MET   11   2.45 +/- 0.14  48.331% * 22.8520% (0.31  10.0 10.00   3.31  43.34) =  22.637%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.40 +/- 0.91   0.896% *  0.6550% (0.88   1.0 10.00   0.02   1.19) =   0.012%
        T HG3   MET   11 - QG    GLU-  14   9.98 +/- 1.70   0.024% *  0.7042% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - QB    MET   11   9.52 +/- 1.47   0.028% *  0.2416% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  15  12.60 +/- 1.70   0.004% *  0.6196% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  10.88 +/- 2.45   0.015% *  0.0319% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  14.50 +/- 2.08   0.002% *  0.0362% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  17.38 +/- 1.61   0.000% *  0.0568% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  19.17 +/- 1.51   0.000% *  0.0646% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  17.55 +/- 1.10   0.000% *  0.0182% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  19.01 +/- 1.83   0.000% *  0.0207% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  24.55 +/- 1.48   0.000% *  0.1011% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  25.37 +/- 1.37   0.000% *  0.1149% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  19.95 +/- 2.63   0.000% *  0.0118% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  26.03 +/- 2.78   0.000% *  0.0210% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  27.32 +/- 1.46   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  33.15 +/- 2.63   0.000% *  0.0037% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 50 (4.41, 4.41, 56.54 ppm):
    3 diagonal assignments:
    *     HA    GLU-  15 - HA    GLU-  15  (1.00)  kept
          HA    LEU   40 - HA    LEU   40  (0.76)  kept
          HA    ASN   35 - HA    ASN   35  (0.04)  kept
 
    Peak 51 (2.27, 4.41, 56.54 ppm):
    27 chemical-shift based assignments, quality = 0.998, support = 2.01, residual support = 10.1:
    * O T QG    GLU-  15 - HA    GLU-  15   2.51 +/- 0.53  93.178% * 49.8424% (1.00  10.0 10.00   1.96  10.76) =  93.656%  kept
        T QG    GLU-  14 - HA    GLU-  15   4.53 +/- 0.58   6.539% * 48.1014% (0.97   1.0 10.00   2.79   1.19) =   6.343%  kept
          HB3   PHE   72 - HA    GLU-  15   8.26 +/- 1.08   0.191% *  0.0460% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    LEU   40  12.37 +/- 2.41   0.012% *  0.4031% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  15  12.27 +/- 0.77   0.013% *  0.3619% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    LEU   40  15.63 +/- 1.95   0.003% *  0.3890% (0.78   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    LEU   40  10.95 +/- 0.65   0.024% *  0.0372% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  15  14.09 +/- 1.26   0.006% *  0.0489% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASN   35  15.40 +/- 2.31   0.003% *  0.0924% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LEU   40  13.55 +/- 0.76   0.006% *  0.0395% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    LEU   40  20.63 +/- 2.90   0.001% *  0.2927% (0.59   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASN   35  17.64 +/- 2.17   0.001% *  0.0892% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASN   35  20.41 +/- 3.67   0.001% *  0.0671% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   40  15.84 +/- 1.59   0.003% *  0.0212% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  15  16.25 +/- 1.39   0.003% *  0.0099% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  15  18.58 +/- 1.44   0.001% *  0.0262% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   40  15.49 +/- 0.48   0.003% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ASN   35  16.15 +/- 0.72   0.002% *  0.0085% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASN   35  12.86 +/- 0.22   0.008% *  0.0018% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   40  22.72 +/- 1.45   0.000% *  0.0350% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ASN   35  18.51 +/- 0.67   0.001% *  0.0091% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  15  25.51 +/- 1.86   0.000% *  0.0432% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASN   35  25.07 +/- 1.80   0.000% *  0.0080% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASN   35  23.19 +/- 1.45   0.000% *  0.0049% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   40  23.94 +/- 0.83   0.000% *  0.0055% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  15  26.58 +/- 1.30   0.000% *  0.0067% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASN   35  28.95 +/- 0.78   0.000% *  0.0013% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 52 (2.01, 4.41, 56.54 ppm):
    36 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 10.8:
    * O T QB    GLU-  15 - HA    GLU-  15   2.41 +/- 0.14  97.580% * 95.2027% (1.00  10.0 10.00   3.00  10.76) =  99.992%  kept
        T HB3   PRO   68 - HA    GLU-  15   9.11 +/- 3.29   0.473% *  0.7623% (0.80   1.0 10.00   0.02   0.02) =   0.004%
        T HB2   GLN   17 - HA    GLU-  15   6.30 +/- 0.35   0.344% *  0.9520% (1.00   1.0 10.00   0.02   0.02) =   0.004%
          HB    ILE   19 - HA    GLU-  15   6.97 +/- 1.18   0.301% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HA    LEU   40  12.84 +/- 2.01   0.007% *  0.7699% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HA    LEU   40  12.50 +/- 1.34   0.008% *  0.6165% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU   40   7.29 +/- 1.15   0.234% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ASN   35   6.37 +/- 1.76   0.901% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  15  10.22 +/- 2.42   0.051% *  0.0463% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HA    LEU   40  17.00 +/- 0.97   0.001% *  0.7699% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU   40  11.95 +/- 1.43   0.009% *  0.0375% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU   40  12.05 +/- 1.05   0.008% *  0.0436% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU-  15  12.11 +/- 1.37   0.008% *  0.0391% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU   40  10.38 +/- 0.85   0.019% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU   40  12.09 +/- 1.09   0.007% *  0.0317% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLU-  15  12.54 +/- 1.61   0.008% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ASN   35  11.33 +/- 0.76   0.010% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ASN   35  10.14 +/- 0.70   0.021% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    LEU   40  17.76 +/- 1.25   0.001% *  0.0498% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ASN   35  15.98 +/- 2.13   0.002% *  0.0177% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU-  15  20.04 +/- 1.08   0.000% *  0.0901% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU   40  19.93 +/- 0.56   0.000% *  0.0728% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ASN   35  15.06 +/- 1.04   0.002% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LEU   40  16.99 +/- 1.77   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LEU   40  22.68 +/- 1.97   0.000% *  0.0763% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  15  22.61 +/- 1.48   0.000% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ASN   35  18.16 +/- 1.29   0.001% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ASN   35  18.41 +/- 0.57   0.001% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLU-  15  20.37 +/- 2.04   0.000% *  0.0212% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU-  15  19.70 +/- 1.39   0.000% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  15  26.55 +/- 1.97   0.000% *  0.0944% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ASN   35  17.90 +/- 1.50   0.001% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ASN   35  21.39 +/- 1.09   0.000% *  0.0177% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ASN   35  23.62 +/- 1.19   0.000% *  0.0114% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ASN   35  29.19 +/- 2.12   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ASN   35  24.45 +/- 1.63   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 53 (4.41, 2.27, 36.40 ppm):
    33 chemical-shift based assignments, quality = 0.993, support = 2.01, residual support = 10.2:
    * O T HA    GLU-  15 - QG    GLU-  15   2.51 +/- 0.53  88.683% * 52.1759% (1.00  10.0 10.00   1.96  10.76) =  94.342%  kept
        T HA    GLU-  15 - QG    GLU-  14   4.53 +/- 0.58   6.040% * 45.9069% (0.88   1.0 10.00   2.79   1.19) =   5.653%  kept
          HA    SER   13 - QG    GLU-  14   4.88 +/- 0.70   2.904% *  0.0459% (0.88   1.0  1.00   0.02   6.68) =   0.003%
          HA    SER   13 - QG    GLU-  15   6.54 +/- 1.21   1.024% *  0.0522% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLN   17 - QG    GLU-  14   7.60 +/- 1.30   0.403% *  0.0260% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QG    GLU-  15   7.03 +/- 0.58   0.307% *  0.0295% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QB    MET   11   6.52 +/- 0.54   0.563% *  0.0126% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QG    GLU-  15  12.37 +/- 2.41   0.011% *  0.4936% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - QB    MET   11  12.27 +/- 0.77   0.011% *  0.1258% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QG    GLU-  14  15.63 +/- 1.95   0.003% *  0.4343% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLU-  15  12.73 +/- 2.49   0.016% *  0.0295% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  15  15.40 +/- 2.31   0.003% *  0.1162% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  14  17.64 +/- 2.17   0.001% *  0.1022% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  15  15.84 +/- 1.04   0.002% *  0.0521% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLU-  14  15.12 +/- 2.39   0.004% *  0.0260% (0.50   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    MET   11  20.63 +/- 2.90   0.001% *  0.1190% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  14  17.22 +/- 1.76   0.002% *  0.0458% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  15  15.69 +/- 3.01   0.003% *  0.0178% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    MET   11  16.55 +/- 3.77   0.006% *  0.0071% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  15  14.64 +/- 2.43   0.004% *  0.0071% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QB    MET   11  20.41 +/- 3.67   0.001% *  0.0280% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  14  19.62 +/- 1.89   0.001% *  0.0297% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  15  19.50 +/- 1.43   0.001% *  0.0338% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    MET   11  16.05 +/- 1.62   0.002% *  0.0071% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  14  19.73 +/- 2.73   0.001% *  0.0157% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  15  19.29 +/- 1.23   0.001% *  0.0130% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  14  17.93 +/- 2.08   0.001% *  0.0062% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  14  20.75 +/- 1.77   0.001% *  0.0114% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    MET   11  25.64 +/- 1.47   0.000% *  0.0126% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    MET   11  27.56 +/- 3.61   0.000% *  0.0081% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    MET   11  22.66 +/- 3.05   0.000% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    MET   11  25.74 +/- 3.05   0.000% *  0.0043% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    MET   11  29.06 +/- 2.01   0.000% *  0.0031% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 55 (2.27, 2.27, 36.40 ppm):
    3 diagonal assignments:
    *     QG    GLU-  15 - QG    GLU-  15  (1.00)  kept
          QG    GLU-  14 - QG    GLU-  14  (0.85)  kept
          QB    MET   11 - QB    MET   11  (0.18)  kept
 
    Peak 59 (4.04, 4.04, 45.84 ppm):
    1 diagonal assignment:
    *     HA1   GLY   16 - HA1   GLY   16  (1.00)  kept
 
    Peak 60 (4.42, 4.42, 54.38 ppm):
    1 diagonal assignment:
    *     HA    GLN   17 - HA    GLN   17  (1.00)  kept
 
    Peak 61 (2.01, 4.42, 54.38 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.5:
    * O T HB2   GLN   17 - HA    GLN   17   2.50 +/- 0.11  99.397% * 97.7872% (1.00  10.0 10.00   4.00  84.50) =  99.996%  kept
        T QB    GLU-  15 - HA    GLN   17   6.69 +/- 0.27   0.296% *  0.9779% (1.00   1.0 10.00   0.02   0.02) =   0.003%
        T HB3   PRO   68 - HA    GLN   17   9.95 +/- 2.90   0.124% *  0.7830% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB    ILE   19 - HA    GLN   17   7.67 +/- 0.60   0.145% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLN   17  10.84 +/- 1.80   0.029% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLN   17  14.43 +/- 1.02   0.003% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLN   17  14.38 +/- 0.90   0.003% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLN   17  19.39 +/- 1.50   0.001% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLN   17  20.71 +/- 0.44   0.000% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   17  16.29 +/- 1.50   0.002% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLN   17  22.47 +/- 2.23   0.000% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   17  22.60 +/- 1.30   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 62 (2.21, 4.42, 54.38 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.5:
    * O T QG    GLN   17 - HA    GLN   17   2.98 +/- 0.48  99.798% * 98.5118% (0.76  10.0 10.00   4.31  84.50) =  99.998%  kept
        T HB    VAL   70 - HA    GLN   17   9.63 +/- 1.36   0.188% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.002%
          HB2   MET   96 - HA    GLN   17  16.41 +/- 0.71   0.005% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   17  16.74 +/- 1.24   0.005% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLN   17  20.00 +/- 0.35   0.002% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   17  18.76 +/- 1.27   0.002% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   17  21.50 +/- 1.40   0.001% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 63 (4.42, 2.01, 31.84 ppm):
    24 chemical-shift based assignments, quality = 0.203, support = 3.56, residual support = 52.2:
    * O T HA    GLN   17 - HB2   GLN   17   2.50 +/- 0.11  44.508% * 57.9333% (0.24  10.0 10.00   4.00  84.50) =  56.204%  kept
      O T HA    GLU-  15 - QB    GLU-  15   2.41 +/- 0.14  54.564% * 36.8149% (0.15  10.0 10.00   3.00  10.76) =  43.786%  kept
        T HA    GLU-  15 - HB3   PRO   68   9.11 +/- 3.29   0.270% *  0.8229% (0.34   1.0 10.00   0.02   0.02) =   0.005%
        T HA    GLN   17 - QB    GLU-  15   6.69 +/- 0.27   0.128% *  0.6503% (0.27   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   17 - HB3   PRO   68   9.95 +/- 2.90   0.057% *  1.4535% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLU-  15 - HB2   GLN   17   6.30 +/- 0.35   0.181% *  0.3280% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HA    SER   13 - QB    GLU-  15   6.15 +/- 0.51   0.222% *  0.0368% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   PRO   68  12.50 +/- 1.34   0.004% *  0.5455% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN   17  10.96 +/- 1.61   0.039% *  0.0328% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    GLU-  15  12.84 +/- 2.01   0.004% *  0.2441% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    GLU-  15  13.24 +/- 2.48   0.006% *  0.0650% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   68  14.14 +/- 3.27   0.003% *  0.0823% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   PRO   68  13.71 +/- 1.07   0.002% *  0.0882% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   68  15.90 +/- 1.76   0.001% *  0.1454% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   GLN   17  12.67 +/- 2.17   0.004% *  0.0305% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   GLN   17  17.00 +/- 0.97   0.000% *  0.2174% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    GLU-  15  13.41 +/- 1.37   0.002% *  0.0394% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   PRO   68  15.13 +/- 0.95   0.001% *  0.0765% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   17  14.33 +/- 0.64   0.001% *  0.0351% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   GLN   17  16.31 +/- 1.96   0.001% *  0.0574% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    GLU-  15  15.65 +/- 1.07   0.001% *  0.0342% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   PRO   68  22.23 +/- 1.36   0.000% *  0.1441% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QB    GLU-  15  19.67 +/- 1.37   0.000% *  0.0645% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   GLN   17  20.15 +/- 1.57   0.000% *  0.0579% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 64 (2.01, 2.01, 31.84 ppm):
    3 diagonal assignments:
          HB3   PRO   68 - HB3   PRO   68  (0.49)  kept
          QB    GLU-  15 - QB    GLU-  15  (0.27)  kept
    *     HB2   GLN   17 - HB2   GLN   17  (0.24)  kept
 
    Peak 65 (2.21, 2.01, 31.84 ppm):
    21 chemical-shift based assignments, quality = 0.185, support = 4.31, residual support = 84.5:
    * O T QG    GLN   17 - HB2   GLN   17   2.40 +/- 0.12  97.796% * 84.9728% (0.18  10.0 10.00   4.31  84.50) =  99.966%  kept
        T QG    GLN   17 - QB    GLU-  15   5.07 +/- 0.51   1.494% *  0.9538% (0.21   1.0 10.00   0.02   0.02) =   0.017%
        T HB    VAL   70 - HB3   PRO   68   6.72 +/- 1.13   0.359% *  2.3301% (0.51   1.0 10.00   0.02   1.07) =   0.010%
        T QG    GLN   17 - HB3   PRO   68   9.74 +/- 3.12   0.168% *  2.1320% (0.46   1.0 10.00   0.02   0.02) =   0.004%
        T HB    VAL   70 - QB    GLU-  15   8.27 +/- 1.88   0.162% *  1.0424% (0.23   1.0 10.00   0.02   0.02) =   0.002%
        T HB    VAL   70 - HB2   GLN   17  11.51 +/- 1.27   0.011% *  0.9287% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB3   PRO   68  16.92 +/- 2.06   0.001% *  1.8047% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - QB    GLU-  15  16.89 +/- 2.32   0.001% *  0.8073% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - QB    GLU-  15  18.86 +/- 1.12   0.000% *  0.8073% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB2   GLN   17  18.91 +/- 0.65   0.000% *  0.7193% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   PRO   68  17.66 +/- 1.24   0.001% *  0.2765% (0.60   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB3   PRO   68  25.45 +/- 1.60   0.000% *  1.8047% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QB    GLU-  15  16.92 +/- 1.31   0.001% *  0.1237% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   PRO   68  16.60 +/- 2.11   0.001% *  0.0952% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB2   GLN   17  22.81 +/- 1.59   0.000% *  0.7193% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLN   17  15.79 +/- 1.45   0.002% *  0.0629% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   GLN   17  17.43 +/- 0.77   0.001% *  0.1102% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QB    GLU-  15  19.37 +/- 1.29   0.000% *  0.0707% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QB    GLU-  15  19.00 +/- 1.80   0.001% *  0.0426% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   PRO   68  24.43 +/- 1.82   0.000% *  0.1579% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLN   17  20.61 +/- 1.15   0.000% *  0.0379% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 66 (4.42, 2.21, 33.80 ppm):
    16 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.5:
    * O T HA    GLN   17 - QG    GLN   17   2.98 +/- 0.48  70.145% * 99.2429% (0.76  10.0 10.00   4.31  84.50) =  99.976%  kept
          HA    GLU-  15 - QG    GLN   17   4.10 +/- 0.90  28.400% *  0.0562% (0.43   1.0  1.00   0.02   0.02) =   0.023%
        T HA    GLN   17 - HB    VAL   70   9.63 +/- 1.36   0.100% *  0.2033% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG    GLN   17   8.37 +/- 1.17   0.277% *  0.0562% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    VAL   70   7.21 +/- 0.46   0.507% *  0.0076% (0.06   1.0  1.00   0.02  35.66) =   0.000%
          HA    VAL   42 - HB    VAL   70   7.79 +/- 0.63   0.245% *  0.0123% (0.09   1.0  1.00   0.02   1.34) =   0.000%
          HA    GLU-  15 - HB    VAL   70   9.06 +/- 1.83   0.250% *  0.0115% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLN   17  12.47 +/- 1.95   0.016% *  0.0522% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   17  13.09 +/- 0.72   0.013% *  0.0602% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLN   17  15.97 +/- 1.62   0.004% *  0.0984% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLN   17  16.92 +/- 1.92   0.004% *  0.0992% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   70  13.17 +/- 1.27   0.015% *  0.0203% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG    GLN   17  14.80 +/- 1.05   0.006% *  0.0372% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    VAL   70  14.99 +/- 2.11   0.007% *  0.0115% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB    VAL   70  14.45 +/- 1.32   0.008% *  0.0107% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   70  18.12 +/- 1.03   0.002% *  0.0201% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 67 (2.01, 2.21, 33.80 ppm):
    24 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.5:
    * O T HB2   GLN   17 - QG    GLN   17   2.40 +/- 0.12  96.566% * 95.9708% (0.76  10.0 10.00   4.31  84.50) =  99.982%  kept
        T QB    GLU-  15 - QG    GLN   17   5.07 +/- 0.51   1.467% *  0.9597% (0.76   1.0 10.00   0.02   0.02) =   0.015%
        T HB3   PRO   68 - QG    GLN   17   9.74 +/- 3.12   0.167% *  0.7685% (0.61   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PRO   68 - HB    VAL   70   6.72 +/- 1.13   0.352% *  0.1574% (0.13   1.0 10.00   0.02   1.07) =   0.001%
        T QB    GLU-  15 - HB    VAL   70   8.27 +/- 1.88   0.160% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLN   17   6.51 +/- 1.32   0.516% *  0.0543% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB    VAL   70   6.31 +/- 1.32   0.650% *  0.0096% (0.08   1.0  1.00   0.02   1.07) =   0.000%
        T HB2   GLN   17 - HB    VAL   70  11.51 +/- 1.27   0.011% *  0.1966% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLN   17  10.70 +/- 2.10   0.035% *  0.0467% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLN   17  17.81 +/- 1.49   0.001% *  0.9078% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB    VAL   70   9.44 +/- 1.11   0.038% *  0.0111% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLN   17  12.14 +/- 1.52   0.008% *  0.0395% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - HB    VAL   70  13.98 +/- 1.18   0.003% *  0.0438% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG    GLN   17  12.50 +/- 1.43   0.007% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - QG    GLN   17  20.78 +/- 1.43   0.000% *  0.2137% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HB    VAL   70  21.54 +/- 0.85   0.000% *  0.1860% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB    VAL   70  13.26 +/- 1.13   0.004% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG    GLN   17  19.43 +/- 1.45   0.000% *  0.0621% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB    VAL   70  12.21 +/- 1.25   0.007% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG    GLN   17  22.42 +/- 2.34   0.000% *  0.0951% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB    VAL   70  13.41 +/- 1.84   0.005% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG    GLN   17  17.01 +/- 1.39   0.001% *  0.0168% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB    VAL   70  16.78 +/- 1.62   0.001% *  0.0127% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB    VAL   70  20.96 +/- 2.04   0.000% *  0.0195% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.02 A, kept.
 
    Peak 68 (2.21, 2.21, 33.80 ppm):
    2 diagonal assignments:
    *     QG    GLN   17 - QG    GLN   17  (0.58)  kept
          HB    VAL   70 - HB    VAL   70  (0.13)  kept
 
    Peak 69 (4.00, 4.00, 62.64 ppm):
    1 diagonal assignment:
    *     HA    VAL   18 - HA    VAL   18  (1.00)  kept
 
    Peak 70 (1.96, 4.00, 62.64 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 77.1:
    * O T HB    VAL   18 - HA    VAL   18   2.69 +/- 0.33  99.723% * 99.6862% (1.00  10.0 10.00   3.44  77.06) = 100.000%  kept
          HB2   LEU   67 - HA    VAL   18   7.93 +/- 1.20   0.243% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    VAL   18  17.79 +/- 2.91   0.008% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    VAL   18  11.80 +/- 1.42   0.019% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    VAL   18  15.58 +/- 1.43   0.004% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    VAL   18  16.93 +/- 1.56   0.003% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 71 (0.86, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.1:
    * O T QG1   VAL   18 - HA    VAL   18   2.59 +/- 0.24  99.006% * 98.7319% (1.00  10.0 10.00   4.00  77.06) =  99.997%  kept
        T QG1   VAL   70 - HA    VAL   18   8.08 +/- 1.20   0.214% *  0.9678% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          QD1   LEU   71 - HA    VAL   18   7.63 +/- 1.39   0.610% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    VAL   18   8.62 +/- 1.59   0.162% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   18  14.25 +/- 1.77   0.006% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   18  17.48 +/- 1.22   0.001% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    VAL   18  17.27 +/- 1.07   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 72 (0.75, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 0.995, support = 4.0, residual support = 76.1:
    * O T QG2   VAL   18 - HA    VAL   18   2.64 +/- 0.46  89.744% * 85.4276% (1.00  10.0 10.00   4.00  77.06) =  98.284%  kept
          QD1   ILE   19 - HA    VAL   18   5.24 +/- 1.27  10.096% * 13.2543% (0.73   1.0  1.00   4.27  22.49) =   1.715%  kept
        T QG1   VAL   41 - HA    VAL   18  11.16 +/- 0.83   0.024% *  0.6529% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    VAL   18   9.54 +/- 0.64   0.067% *  0.0789% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   18   9.95 +/- 1.60   0.058% *  0.0837% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   18  15.03 +/- 1.25   0.004% *  0.4837% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   18  13.89 +/- 0.85   0.007% *  0.0190% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.05 A, kept.
 
    Peak 73 (4.00, 1.96, 32.56 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 77.1:
    * O T HA    VAL   18 - HB    VAL   18   2.69 +/- 0.33  99.960% * 99.3791% (1.00  10.0 10.00   3.44  77.06) = 100.000%  kept
          HA    VAL   70 - HB    VAL   18  11.65 +/- 1.26   0.016% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB    VAL   18  15.43 +/- 2.92   0.013% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB    VAL   18  17.16 +/- 2.42   0.005% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   18  16.96 +/- 1.70   0.002% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   18  18.02 +/- 0.76   0.001% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   18  18.22 +/- 0.88   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    VAL   18  20.06 +/- 1.27   0.001% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB    VAL   18  19.51 +/- 1.03   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB    VAL   18  22.18 +/- 1.64   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 74 (1.96, 1.96, 32.56 ppm):
    1 diagonal assignment:
    *     HB    VAL   18 - HB    VAL   18  (1.00)  kept
 
    Peak 75 (0.86, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 77.1:
    * O T QG1   VAL   18 - HB    VAL   18   2.13 +/- 0.02  99.883% * 99.5994% (1.00  10.0 10.00   3.44  77.06) = 100.000%  kept
          HB3   LEU   63 - HB    VAL   18   9.13 +/- 2.21   0.061% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB    VAL   18   9.42 +/- 1.68   0.035% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HB    VAL   18   9.62 +/- 1.26   0.018% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB    VAL   18  14.68 +/- 2.07   0.001% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   18  18.58 +/- 1.80   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB    VAL   18  16.81 +/- 1.64   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 76 (0.75, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.25, residual support = 77.1:
    * O T QG2   VAL   18 - HB    VAL   18   2.13 +/- 0.01  99.761% * 98.4101% (1.00  10.0 10.00   3.25  77.06) = 100.000%  kept
          QD1   ILE   19 - HB    VAL   18   6.82 +/- 1.02   0.191% *  0.0715% (0.73   1.0  1.00   0.02  22.49) =   0.000%
          QG2   THR   46 - HB    VAL   18   8.78 +/- 1.70   0.033% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - HB    VAL   18  12.66 +/- 1.14   0.003% *  0.7521% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB    VAL   18  10.19 +/- 1.20   0.011% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   18  16.15 +/- 1.41   0.001% *  0.5572% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    VAL   18  15.27 +/- 1.32   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 77 (4.00, 0.86, 22.91 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.1:
    * O T HA    VAL   18 - QG1   VAL   18   2.59 +/- 0.24  99.907% * 97.2871% (1.00  10.0 10.00   4.00  77.06) =  99.999%  kept
        T HA    VAL   70 - QG1   VAL   18   9.77 +/- 0.98   0.039% *  0.6683% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG1   VAL   18  12.00 +/- 2.30   0.025% *  0.7064% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   18  15.13 +/- 1.02   0.003% *  0.9643% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   18  13.72 +/- 0.95   0.005% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   18  14.36 +/- 1.05   0.004% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   18  13.86 +/- 2.09   0.009% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   18  14.71 +/- 1.22   0.003% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG1   VAL   18  15.16 +/- 1.10   0.003% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   18  17.12 +/- 1.27   0.001% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 78 (1.96, 0.86, 22.91 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 77.1:
    * O T HB    VAL   18 - QG1   VAL   18   2.13 +/- 0.02  99.946% * 99.6862% (1.00  10.0 10.00   3.44  77.06) = 100.000%  kept
          HB2   LEU   67 - QG1   VAL   18   8.69 +/- 0.95   0.027% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   18  13.24 +/- 2.64   0.015% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG1   VAL   18  11.29 +/- 1.52   0.006% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   18  12.48 +/- 1.31   0.003% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   18  13.70 +/- 1.53   0.002% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 79 (0.86, 0.86, 22.91 ppm):
    1 diagonal assignment:
    *     QG1   VAL   18 - QG1   VAL   18  (1.00)  kept
 
    Peak 80 (0.75, 0.86, 22.91 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.1:
    * O T QG2   VAL   18 - QG1   VAL   18   2.07 +/- 0.05  98.945% * 98.4101% (1.00  10.0 10.00   4.00  77.06) =  99.999%  kept
          QD1   ILE   19 - QG1   VAL   18   5.05 +/- 0.63   0.774% *  0.0715% (0.73   1.0  1.00   0.02  22.49) =   0.001%
          QG2   THR   46 - QG1   VAL   18   6.38 +/- 1.31   0.197% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QG1   VAL   18   9.87 +/- 1.06   0.011% *  0.7521% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QG1   VAL   18   7.47 +/- 0.97   0.066% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QG1   VAL   18  13.19 +/- 1.34   0.002% *  0.5572% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   VAL   18  11.41 +/- 1.19   0.005% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (4.00, 0.75, 22.78 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.1:
    * O T HA    VAL   18 - QG2   VAL   18   2.64 +/- 0.46  98.337% * 97.9277% (1.00  10.0 10.00   4.00  77.06) =  99.999%  kept
          HA    VAL   70 - QG1   VAL   41   6.72 +/- 0.39   0.501% *  0.0514% (0.52   1.0  1.00   0.02   2.70) =   0.000%
        T HA    VAL   18 - QG1   VAL   41  11.16 +/- 0.83   0.031% *  0.7484% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   41   7.72 +/- 0.43   0.257% *  0.0708% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG1   VAL   41   6.90 +/- 0.46   0.511% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   VAL   18  12.44 +/- 2.53   0.086% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   41   9.43 +/- 0.53   0.077% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QG2   VAL   18   9.81 +/- 0.56   0.048% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QD2   LEU  104   9.45 +/- 1.13   0.077% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   18 - QD2   LEU  104  15.03 +/- 1.25   0.004% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   18  13.58 +/- 1.52   0.007% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   18  15.34 +/- 0.73   0.004% *  0.0977% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG1   VAL   41  15.73 +/- 2.25   0.004% *  0.0742% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   18  15.52 +/- 0.71   0.003% *  0.0926% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   VAL   18  13.82 +/- 1.77   0.009% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG2   VAL   18  16.72 +/- 1.34   0.002% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   VAL   18  16.53 +/- 0.67   0.002% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   41  17.18 +/- 0.82   0.002% *  0.0514% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   VAL   18  18.19 +/- 1.37   0.002% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD2   LEU  104  14.39 +/- 0.97   0.005% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD2   LEU  104  14.07 +/- 0.92   0.006% *  0.0103% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   41  17.54 +/- 1.77   0.002% *  0.0364% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG1   VAL   41  19.74 +/- 1.86   0.001% *  0.0543% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD2   LEU  104  13.63 +/- 1.11   0.008% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD2   LEU  104  16.62 +/- 1.47   0.002% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD2   LEU  104  20.82 +/- 3.42   0.004% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD2   LEU  104  20.65 +/- 3.31   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   41  20.49 +/- 1.93   0.001% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD2   LEU  104  19.74 +/- 2.82   0.001% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD2   LEU  104  22.12 +/- 2.92   0.001% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 82 (1.96, 0.75, 22.78 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 3.25, residual support = 77.1:
    * O T HB    VAL   18 - QG2   VAL   18   2.13 +/- 0.01  99.100% * 98.5012% (1.00  10.0 10.00   3.25  77.06) = 100.000%  kept
          HB2   LEU   40 - QG1   VAL   41   5.24 +/- 0.17   0.454% *  0.0257% (0.26   1.0  1.00   0.02  20.18) =   0.000%
          HB2   LEU   67 - QG2   VAL   18   7.75 +/- 1.17   0.066% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   18 - QG1   VAL   41  12.66 +/- 1.14   0.003% *  0.7528% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QD2   LEU  104   6.84 +/- 1.24   0.339% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QG1   VAL   41  10.85 +/- 1.43   0.008% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG2   VAL   18  12.69 +/- 2.12   0.006% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG2   VAL   18  11.18 +/- 1.86   0.007% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG2   VAL   18  12.86 +/- 1.73   0.003% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG2   VAL   18  11.44 +/- 1.24   0.005% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   18 - QD2   LEU  104  16.15 +/- 1.41   0.001% *  0.1514% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD2   LEU  104  12.00 +/- 2.50   0.007% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   41  17.02 +/- 0.86   0.000% *  0.0396% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   41  21.31 +/- 2.45   0.000% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU  104  14.71 +/- 0.82   0.001% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   41  19.59 +/- 1.49   0.000% *  0.0366% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  104  21.50 +/- 3.42   0.001% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU  104  18.66 +/- 2.21   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 83 (0.86, 0.75, 22.78 ppm):
    21 chemical-shift based assignments, quality = 0.98, support = 4.03, residual support = 80.1:
    * O T QG1   VAL   18 - QG2   VAL   18   2.07 +/- 0.05  76.112% * 90.9635% (1.00  10.0 10.00   4.00  77.06) =  97.844%  kept
      O T HB3   LEU  104 - QD2   LEU  104   2.64 +/- 0.35  22.412% *  6.8036% (0.07  10.0 10.00   5.42 219.06) =   2.155%  kept
          QD1   LEU   71 - QG1   VAL   41   4.77 +/- 1.14   1.087% *  0.0581% (0.64   1.0  1.00   0.02   4.38) =   0.001%
          HB3   LEU   63 - QG2   VAL   18   7.19 +/- 1.45   0.104% *  0.0625% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   6.57 +/- 0.51   0.086% *  0.0681% (0.75   1.0  1.00   0.02   2.70) =   0.000%
        T HB3   LEU  104 - QG1   VAL   41   8.65 +/- 0.79   0.017% *  0.3384% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QG1   VAL   41   9.87 +/- 1.06   0.008% *  0.6952% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   7.98 +/- 1.36   0.043% *  0.0892% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG2   VAL   18   8.11 +/- 1.04   0.034% *  0.0760% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD2   LEU  104   7.58 +/- 1.01   0.047% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  13.19 +/- 1.34   0.002% *  0.1398% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  15.30 +/- 1.40   0.001% *  0.4428% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  11.93 +/- 1.57   0.003% *  0.0760% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104   9.41 +/- 1.45   0.018% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  11.10 +/- 1.09   0.004% *  0.0478% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104   9.94 +/- 1.83   0.012% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  12.90 +/- 1.86   0.002% *  0.0581% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  11.09 +/- 1.21   0.004% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG2   VAL   18  13.57 +/- 1.12   0.001% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG1   VAL   41  13.52 +/- 0.83   0.001% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU  104  12.00 +/- 0.49   0.002% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 84 (0.75, 0.75, 22.78 ppm):
    3 diagonal assignments:
    *     QG2   VAL   18 - QG2   VAL   18  (1.00)  kept
          QG1   VAL   41 - QG1   VAL   41  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.09)  kept
 
    Peak 85 (4.18, 4.18, 60.49 ppm):
    1 diagonal assignment:
    *     HA    ILE   19 - HA    ILE   19  (1.00)  kept
 
    Peak 86 (2.00, 4.18, 60.49 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 173.8:
    * O T HB    ILE   19 - HA    ILE   19   2.90 +/- 0.07  98.181% * 98.7896% (1.00  10.0 10.00   5.75 173.80) =  99.999%  kept
          HB2   GLN   17 - HA    ILE   19   5.88 +/- 0.47   1.617% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HA    ILE   19   8.46 +/- 0.52   0.170% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HA    ILE   19  14.12 +/- 0.50   0.008% *  0.7550% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ILE   19  14.93 +/- 1.48   0.006% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ILE   19  14.11 +/- 2.36   0.014% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ILE   19  21.32 +/- 1.48   0.001% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    ILE   19  19.22 +/- 1.58   0.001% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    ILE   19  20.73 +/- 1.62   0.001% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE   19  24.78 +/- 2.40   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 87 (1.42, 4.18, 60.49 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 173.8:
    * O T HG12  ILE   19 - HA    ILE   19   2.66 +/- 0.78  96.221% * 98.1529% (1.00  10.0 10.00   6.31 173.80) =  99.995%  kept
        T HG    LEU   73 - HA    ILE   19   7.74 +/- 0.77   0.902% *  0.3348% (0.34   1.0 10.00   0.02   4.00) =   0.003%
          HB3   LYS+  74 - HA    ILE   19   6.41 +/- 0.85   2.668% *  0.0556% (0.57   1.0  1.00   0.02   8.02) =   0.002%
        T HG    LEU   80 - HA    ILE   19  13.90 +/- 1.69   0.019% *  0.9621% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    ILE   19  10.46 +/- 1.85   0.115% *  0.0851% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ILE   19  11.72 +/- 1.03   0.032% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ILE   19  14.31 +/- 1.37   0.016% *  0.0750% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ILE   19  14.41 +/- 1.30   0.013% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ILE   19  14.92 +/- 0.89   0.009% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    ILE   19  19.35 +/- 2.25   0.002% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ILE   19  22.98 +/- 2.60   0.001% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ILE   19  23.42 +/- 1.15   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.05 A, kept.
 
    Peak 88 (1.25, 4.18, 60.49 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 173.8:
    * O T HG13  ILE   19 - HA    ILE   19   2.92 +/- 0.53  99.413% * 98.2804% (1.00  10.0 10.00   5.75 173.80) =  99.998%  kept
        T HG    LEU   71 - HA    ILE   19   9.56 +/- 1.32   0.147% *  0.8814% (0.90   1.0 10.00   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HA    ILE   19   8.46 +/- 0.85   0.260% *  0.0907% (0.92   1.0  1.00   0.02   8.02) =   0.000%
          QG2   THR   39 - HA    ILE   19  10.07 +/- 0.90   0.102% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - HA    ILE   19  14.60 +/- 1.48   0.010% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   19  10.85 +/- 0.79   0.058% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ILE   19  18.12 +/- 1.22   0.003% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE   19  18.59 +/- 1.28   0.002% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE   19  19.91 +/- 1.36   0.001% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    ILE   19  19.65 +/- 2.48   0.002% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   19  25.63 +/- 2.14   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.02 A, kept.
 
    Peak 89 (0.74, 4.18, 60.49 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 4.88, residual support = 171.9:
    *   T QD1   ILE   19 - HA    ILE   19   2.99 +/- 0.38  93.346% * 84.6280% (1.00 10.00   4.88 173.80) =  98.776%  kept
          QG2   VAL   18 - HA    ILE   19   5.05 +/- 0.53   6.468% * 15.1356% (0.73  1.00   4.93  22.49) =   1.224%  kept
          QG2   THR   46 - HA    ILE   19  10.77 +/- 1.71   0.070% *  0.0707% (0.84  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    ILE   19  10.49 +/- 0.81   0.063% *  0.0412% (0.49  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    ILE   19  11.82 +/- 1.29   0.038% *  0.0261% (0.31  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    ILE   19  17.03 +/- 1.63   0.005% *  0.0817% (0.97  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HA    ILE   19  14.55 +/- 1.33   0.010% *  0.0167% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.19 A, kept.
 
    Peak 90 (4.18, 2.00, 37.78 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 173.8:
    * O T HA    ILE   19 - HB    ILE   19   2.90 +/- 0.07  99.913% * 98.6066% (1.00  10.0 10.00   5.75 173.80) = 100.000%  kept
        T HA    GLU-  25 - HB    ILE   19  13.84 +/- 0.87   0.010% *  0.9103% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB    ILE   19  10.25 +/- 1.01   0.075% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HB    ILE   19  20.03 +/- 1.30   0.001% *  0.3701% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    ILE   19  18.39 +/- 1.43   0.002% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 173.8:
    * O T HG12  ILE   19 - HB    ILE   19   2.62 +/- 0.24  97.267% * 97.5273% (1.00  10.0 10.00   5.31 173.80) =  99.991%  kept
        T HG    LEU   73 - HB    ILE   19   5.51 +/- 0.94   2.252% *  0.3327% (0.34   1.0 10.00   0.02   4.00) =   0.008%
        T HB3   LEU   67 - HB    ILE   19  10.26 +/- 0.90   0.038% *  0.7082% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    ILE   19   7.11 +/- 0.91   0.386% *  0.0552% (0.57   1.0  1.00   0.02   8.02) =   0.000%
        T HG    LEU   80 - HB    ILE   19  13.86 +/- 2.18   0.006% *  0.9560% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    ILE   19  10.87 +/- 1.51   0.028% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB    ILE   19  14.31 +/- 1.71   0.004% *  0.0745% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HB    ILE   19  13.65 +/- 0.95   0.006% *  0.0513% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB    ILE   19  12.62 +/- 1.10   0.009% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    ILE   19  19.00 +/- 2.03   0.001% *  0.0967% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB    ILE   19  21.20 +/- 2.79   0.001% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB    ILE   19  20.80 +/- 1.27   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 93 (1.25, 2.00, 37.78 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 173.8:
    * O T HG13  ILE   19 - HB    ILE   19   2.50 +/- 0.33  98.934% * 97.6364% (1.00  10.0 10.00   5.00 173.80) =  99.992%  kept
        T HG    LEU   71 - HB    ILE   19   7.01 +/- 1.17   0.697% *  0.8756% (0.90   1.0 10.00   0.02   0.02) =   0.006%
        T HG2   LYS+  74 - HB    ILE   19   8.78 +/- 0.97   0.110% *  0.9013% (0.92   1.0 10.00   0.02   8.02) =   0.001%
          QG2   THR   39 - HB    ILE   19   8.00 +/- 0.88   0.152% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   19   8.64 +/- 0.87   0.096% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB    ILE   19  15.92 +/- 1.29   0.002% *  0.0924% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    ILE   19  14.40 +/- 1.51   0.004% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB    ILE   19  17.75 +/- 1.05   0.001% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB    ILE   19  17.29 +/- 1.39   0.001% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    ILE   19  18.97 +/- 2.56   0.001% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB    ILE   19  24.97 +/- 2.09   0.000% *  0.1932% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 94 (0.74, 2.00, 37.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.14, residual support = 173.8:
    * O T QD1   ILE   19 - HB    ILE   19   2.86 +/- 0.31  97.547% * 99.6493% (1.00  10.0 10.00   4.14 173.80) =  99.998%  kept
          QG2   VAL   18 - HB    ILE   19   5.61 +/- 0.51   2.095% *  0.0724% (0.73   1.0  1.00   0.02  22.49) =   0.002%
          QG1   VAL   43 - HB    ILE   19   8.84 +/- 1.00   0.162% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    ILE   19   9.58 +/- 1.43   0.126% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    ILE   19  11.13 +/- 1.48   0.043% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    ILE   19  14.93 +/- 1.72   0.008% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HB    ILE   19  12.54 +/- 1.49   0.018% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.21 A, kept.
 
    Peak 95 (4.18, 1.42, 27.25 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 173.8:
    * O T HA    ILE   19 - HG12  ILE   19   2.66 +/- 0.78  97.147% * 98.8520% (1.00  10.0 10.00   6.31 173.80) =  99.996%  kept
        T HA    ILE   19 - HG    LEU   73   7.74 +/- 0.77   0.902% *  0.3228% (0.33   1.0 10.00   0.02   4.00) =   0.003%
          HA    GLU-  25 - HG    LEU   80   8.61 +/- 2.82   0.650% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   80   7.27 +/- 0.90   0.670% *  0.0152% (0.15   1.0  1.00   0.02   0.22) =   0.000%
        T HA    ILE   19 - HG    LEU   80  13.90 +/- 1.69   0.020% *  0.4055% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   73   9.38 +/- 0.94   0.288% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   73  11.55 +/- 1.04   0.069% *  0.0298% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG12  ILE   19  10.94 +/- 1.04   0.075% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   80  10.33 +/- 2.36   0.154% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG12  ILE   19  14.89 +/- 0.81   0.010% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG12  ILE   19  19.91 +/- 1.56   0.002% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   80  17.70 +/- 2.26   0.003% *  0.0364% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   73  17.12 +/- 1.34   0.003% *  0.0290% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   73  16.75 +/- 1.59   0.006% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG12  ILE   19  21.50 +/- 1.17   0.001% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.01 A, kept.
 
    Peak 96 (2.00, 1.42, 27.25 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 173.8:
    * O T HB    ILE   19 - HG12  ILE   19   2.62 +/- 0.24  96.458% * 98.3572% (1.00  10.0 10.00   5.31 173.80) =  99.992%  kept
        T HB    ILE   19 - HG    LEU   73   5.51 +/- 0.94   2.244% *  0.3212% (0.33   1.0 10.00   0.02   4.00) =   0.008%
          HB2   GLN   17 - HG12  ILE   19   6.80 +/- 0.73   0.457% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE   19   7.15 +/- 0.62   0.279% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   80   8.25 +/- 2.74   0.483% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG    LEU   80  13.86 +/- 2.18   0.006% *  0.4034% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG12  ILE   19  13.84 +/- 1.81   0.006% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE   19  14.72 +/- 0.83   0.004% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   73  11.82 +/- 0.97   0.015% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE   19  13.03 +/- 2.41   0.012% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   73  12.45 +/- 1.08   0.010% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   73  11.89 +/- 0.75   0.013% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   73  15.02 +/- 1.19   0.004% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   73  17.84 +/- 1.52   0.001% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG12  ILE   19  21.89 +/- 1.71   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   73  14.95 +/- 1.08   0.004% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   80  18.23 +/- 1.41   0.001% *  0.0228% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG12  ILE   19  20.41 +/- 1.48   0.001% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   80  21.53 +/- 2.31   0.000% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG12  ILE   19  21.55 +/- 2.01   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   73  18.32 +/- 1.38   0.001% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   80  20.06 +/- 1.46   0.001% *  0.0228% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   73  19.53 +/- 1.23   0.001% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE   19  25.69 +/- 2.43   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   73  21.65 +/- 2.21   0.000% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   80  24.75 +/- 2.99   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   80  25.41 +/- 1.98   0.000% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   80  22.74 +/- 2.57   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   80  23.36 +/- 1.98   0.000% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   80  25.16 +/- 1.63   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 173.8:
    * O T HG13  ILE   19 - HG12  ILE   19   1.75 +/- 0.00  99.322% * 96.9096% (1.00  10.0 10.00   5.31 173.80) =  99.996%  kept
        T HG    LEU   71 - HG12  ILE   19   8.01 +/- 1.70   0.393% *  0.8691% (0.90   1.0 10.00   0.02   0.02) =   0.004%
        T HG    LEU   71 - HG    LEU   73   6.42 +/- 1.56   0.141% *  0.2838% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HG    LEU   73   7.70 +/- 0.93   0.019% *  0.3165% (0.33   1.0 10.00   0.02   4.00) =   0.000%
          QG2   THR   39 - HG12  ILE   19   8.56 +/- 1.52   0.014% *  0.0809% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   73   7.89 +/- 0.75   0.015% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   73   6.38 +/- 0.74   0.054% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   73   8.35 +/- 0.57   0.009% *  0.0292% (0.30   1.0  1.00   0.02  42.16) =   0.000%
          HG2   LYS+  74 - HG12  ILE   19  10.33 +/- 0.76   0.003% *  0.0895% (0.92   1.0  1.00   0.02   8.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   80  10.16 +/- 2.22   0.005% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   80  10.37 +/- 2.83   0.012% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG12  ILE   19   9.72 +/- 1.43   0.005% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HG    LEU   80  15.57 +/- 1.89   0.000% *  0.3975% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   71 - HG    LEU   80  17.04 +/- 3.26   0.000% *  0.3565% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   80  12.17 +/- 1.63   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   73  13.21 +/- 1.56   0.001% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG12  ILE   19  17.25 +/- 2.09   0.000% *  0.0917% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   73  13.29 +/- 1.65   0.001% *  0.0119% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG12  ILE   19  15.69 +/- 1.54   0.000% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   73  14.97 +/- 0.91   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG12  ILE   19  18.13 +/- 2.05   0.000% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   80  15.40 +/- 2.57   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   80  16.96 +/- 2.31   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG12  ILE   19  19.29 +/- 1.27   0.000% *  0.0809% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   73  15.34 +/- 1.33   0.000% *  0.0179% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   80  14.16 +/- 2.49   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   73  15.11 +/- 2.31   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG12  ILE   19  20.83 +/- 2.66   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   80  23.16 +/- 3.30   0.000% *  0.0376% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   80  24.77 +/- 3.41   0.000% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG12  ILE   19  26.69 +/- 2.36   0.000% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   73  22.49 +/- 2.18   0.000% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   80  24.65 +/- 2.72   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 99 (0.74, 1.42, 27.25 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.22, residual support = 173.8:
    * O T QD1   ILE   19 - HG12  ILE   19   2.16 +/- 0.01  93.383% * 98.4260% (1.00  10.0 10.00   4.22 173.80) =  99.998%  kept
        T QD1   ILE   19 - HG    LEU   73   6.36 +/- 0.81   0.202% *  0.3214% (0.33   1.0 10.00   0.02   4.00) =   0.001%
          QG1   VAL   43 - HG    LEU   73   4.52 +/- 1.10   3.795% *  0.0156% (0.16   1.0  1.00   0.02   8.20) =   0.001%
          QG1   VAL   41 - HG    LEU   73   6.36 +/- 1.30   2.120% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG12  ILE   19   6.34 +/- 0.40   0.155% *  0.0715% (0.73   1.0  1.00   0.02  22.49) =   0.000%
          QG2   THR   46 - HG    LEU   80   8.71 +/- 2.13   0.079% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   73   7.55 +/- 0.84   0.067% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   73  11.91 +/- 2.08   0.045% *  0.0310% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE   19 - HG    LEU   80  12.55 +/- 1.45   0.003% *  0.4037% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   80   9.47 +/- 3.11   0.048% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG12  ILE   19  10.65 +/- 1.45   0.010% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG12  ILE   19  10.96 +/- 2.01   0.015% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG12  ILE   19  14.15 +/- 1.90   0.002% *  0.1948% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   73  10.13 +/- 1.18   0.014% *  0.0268% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   73   8.51 +/- 1.40   0.049% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG12  ILE   19  12.36 +/- 1.62   0.004% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG    LEU   80  14.13 +/- 3.74   0.003% *  0.0799% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   80  12.42 +/- 1.56   0.003% *  0.0293% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG12  ILE   19  16.35 +/- 2.31   0.001% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   80  19.07 +/- 4.01   0.002% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   80  14.06 +/- 2.92   0.002% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 100 (4.18, 1.25, 27.25 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 173.8:
    * O T HA    ILE   19 - HG13  ILE   19   2.92 +/- 0.53  99.744% * 98.6722% (1.00  10.0 10.00   5.75 173.80) = 100.000%  kept
        T HA    ILE   19 - HG    LEU   71   9.56 +/- 1.32   0.147% *  0.1414% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG13  ILE   19  11.11 +/- 1.05   0.055% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    CYS   53 - HG13  ILE   19  19.90 +/- 1.61   0.001% *  0.8849% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG13  ILE   19  15.09 +/- 0.74   0.008% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    CYS   53 - HG    LEU   71  21.25 +/- 1.26   0.001% *  0.1268% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   71  12.04 +/- 2.11   0.034% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   71  15.17 +/- 2.11   0.008% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG13  ILE   19  21.81 +/- 1.06   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   71  21.98 +/- 2.14   0.001% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.01 A, kept.
 
    Peak 101 (2.00, 1.25, 27.25 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 173.8:
    * O T HB    ILE   19 - HG13  ILE   19   2.50 +/- 0.33  97.476% * 98.7569% (1.00  10.0 10.00   5.00 173.80) =  99.998%  kept
        T HB    ILE   19 - HG    LEU   71   7.01 +/- 1.17   0.666% *  0.1416% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN   17 - HG13  ILE   19   6.80 +/- 1.26   0.968% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG13  ILE   19   6.89 +/- 0.66   0.306% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   71  11.72 +/- 2.11   0.253% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   71   9.05 +/- 2.06   0.152% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG13  ILE   19  13.41 +/- 1.65   0.008% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   71  12.61 +/- 1.89   0.089% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE   19  12.56 +/- 2.22   0.021% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE   19  15.00 +/- 0.74   0.003% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   71  11.54 +/- 1.81   0.052% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG13  ILE   19  25.61 +/- 2.27   0.000% *  0.4807% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG13  ILE   19  21.79 +/- 1.53   0.000% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   71  16.25 +/- 2.05   0.003% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG13  ILE   19  20.34 +/- 1.66   0.001% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG13  ILE   19  21.46 +/- 1.80   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG    LEU   71  24.70 +/- 2.36   0.000% *  0.0689% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   71  20.15 +/- 1.69   0.000% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   71  20.91 +/- 1.69   0.000% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   71  22.01 +/- 1.66   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 102 (1.42, 1.25, 27.25 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 173.8:
    * O T HG12  ILE   19 - HG13  ILE   19   1.75 +/- 0.00  99.407% * 97.7565% (1.00  10.0 10.00   5.31 173.80) =  99.999%  kept
        T HG12  ILE   19 - HG    LEU   71   8.01 +/- 1.70   0.394% *  0.1401% (0.14   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   73 - HG    LEU   71   6.42 +/- 1.56   0.141% *  0.0478% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   73 - HG13  ILE   19   7.70 +/- 0.93   0.019% *  0.3335% (0.34   1.0 10.00   0.02   4.00) =   0.000%
          HB3   LYS+  74 - HG13  ILE   19   8.72 +/- 1.03   0.009% *  0.0553% (0.57   1.0  1.00   0.02   8.02) =   0.000%
          HB3   LEU   67 - HG13  ILE   19  10.43 +/- 1.45   0.003% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG13  ILE   19  15.57 +/- 1.89   0.000% *  0.9582% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG13  ILE   19  11.36 +/- 1.78   0.002% *  0.0848% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG    LEU   71   9.51 +/- 1.59   0.010% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG    LEU   71   8.92 +/- 1.41   0.009% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG    LEU   71  17.04 +/- 3.26   0.000% *  0.1374% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG13  ILE   19  13.90 +/- 1.44   0.001% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG13  ILE   19  16.04 +/- 1.42   0.000% *  0.0747% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG13  ILE   19  14.07 +/- 1.31   0.000% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG    LEU   71  12.56 +/- 1.54   0.001% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG    LEU   71  13.68 +/- 1.75   0.001% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG    LEU   71  13.86 +/- 1.07   0.000% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG13  ILE   19  20.44 +/- 2.21   0.000% *  0.0969% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG13  ILE   19  22.46 +/- 3.08   0.000% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG    LEU   71  17.56 +/- 2.41   0.000% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG    LEU   71  18.81 +/- 3.82   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG    LEU   71  15.75 +/- 1.50   0.000% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG13  ILE   19  22.22 +/- 1.54   0.000% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG    LEU   71  20.45 +/- 1.72   0.000% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 103 (1.25, 1.25, 27.25 ppm):
    2 diagonal assignments:
    *     HG13  ILE   19 - HG13  ILE   19  (1.00)  kept
          HG    LEU   71 - HG    LEU   71  (0.13)  kept
 
    Peak 104 (0.74, 1.25, 27.25 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.14, residual support = 173.8:
    * O T QD1   ILE   19 - HG13  ILE   19   2.16 +/- 0.01  94.940% * 99.4572% (1.00  10.0 10.00   4.14 173.80) =  99.994%  kept
        T QD1   ILE   19 - HG    LEU   71   6.38 +/- 1.50   3.558% *  0.1426% (0.14   1.0 10.00   0.02   0.02) =   0.005%
          QG2   VAL   18 - HG13  ILE   19   6.35 +/- 0.67   0.180% *  0.0722% (0.73   1.0  1.00   0.02  22.49) =   0.000%
          QG1   VAL   41 - HG    LEU   71   5.51 +/- 1.27   1.213% *  0.0044% (0.04   1.0  1.00   0.02   4.38) =   0.000%
          QG1   VAL   43 - HG13  ILE   19  10.60 +/- 1.02   0.008% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG13  ILE   19  10.71 +/- 1.67   0.011% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   71   8.32 +/- 1.25   0.048% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG13  ILE   19  12.51 +/- 1.60   0.003% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   71   9.79 +/- 1.00   0.013% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   71  11.06 +/- 1.54   0.009% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG13  ILE   19  16.05 +/- 1.84   0.001% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   71   9.63 +/- 1.01   0.015% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG13  ILE   19  14.01 +/- 1.61   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   71  14.61 +/- 1.28   0.001% *  0.0119% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 105 (4.18, 0.74, 12.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.88, residual support = 173.8:
    *   T HA    ILE   19 - QD1   ILE   19   2.99 +/- 0.38  99.481% * 99.7561% (1.00 10.00   4.88 173.80) = 100.000%  kept
          HA    THR   26 - QD1   ILE   19   8.24 +/- 1.53   0.470% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - QD1   ILE   19  11.66 +/- 1.24   0.043% *  0.0921% (0.92  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QD1   ILE   19  17.22 +/- 1.52   0.004% *  0.0895% (0.90  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - QD1   ILE   19  17.67 +/- 0.81   0.003% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 4.14, residual support = 173.8:
    * O T HB    ILE   19 - QD1   ILE   19   2.86 +/- 0.31  97.212% * 99.4654% (1.00  10.0 10.00   4.14 173.80) =  99.998%  kept
          HB2   GLN   17 - QD1   ILE   19   6.67 +/- 1.35   1.375% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU-  15 - QD1   ILE   19   6.31 +/- 0.94   1.297% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU-  25 - QD1   ILE   19  11.54 +/- 1.29   0.034% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   ILE   19  12.11 +/- 1.81   0.024% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE   19  11.44 +/- 2.19   0.052% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   ILE   19  18.78 +/- 1.39   0.001% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   ILE   19  17.91 +/- 1.37   0.002% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   ILE   19  18.71 +/- 1.64   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE   19  22.05 +/- 1.94   0.001% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 107 (1.42, 0.74, 12.33 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.22, residual support = 173.8:
    * O T HG12  ILE   19 - QD1   ILE   19   2.16 +/- 0.01  99.634% * 97.8860% (1.00  10.0 10.00   4.22 173.80) =  99.999%  kept
        T HG    LEU   73 - QD1   ILE   19   6.36 +/- 0.81   0.222% *  0.3339% (0.34   1.0 10.00   0.02   4.00) =   0.001%
          HB3   LYS+  74 - QD1   ILE   19   7.37 +/- 0.95   0.096% *  0.0554% (0.57   1.0  1.00   0.02   8.02) =   0.000%
        T HG    LEU   80 - QD1   ILE   19  12.55 +/- 1.45   0.003% *  0.9595% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   ILE   19   9.60 +/- 1.53   0.022% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LEU   98 - QD1   ILE   19  11.78 +/- 1.22   0.004% *  0.3021% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   ILE   19  10.31 +/- 1.33   0.012% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   19  12.96 +/- 0.95   0.002% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD1   ILE   19  12.57 +/- 1.36   0.003% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   ILE   19  17.51 +/- 1.85   0.000% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   ILE   19  19.47 +/- 2.58   0.000% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   19  18.57 +/- 1.51   0.000% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (1.25, 0.74, 12.33 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.14, residual support = 173.7:
    * O T HG13  ILE   19 - QD1   ILE   19   2.16 +/- 0.01  96.196% * 98.6077% (1.00  10.0 10.00   4.14 173.80) =  99.967%  kept
        T HG    LEU   71 - QD1   ILE   19   6.38 +/- 1.50   3.567% *  0.8843% (0.90   1.0 10.00   0.02   0.02) =   0.033%
          QG2   THR   39 - QD1   ILE   19   6.95 +/- 1.34   0.144% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QD1   ILE   19   9.05 +/- 0.98   0.022% *  0.0910% (0.92   1.0  1.00   0.02   8.02) =   0.000%
          QB    ALA   34 - QD1   ILE   19   7.65 +/- 1.26   0.065% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QD1   ILE   19  14.28 +/- 1.68   0.001% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   19  14.68 +/- 1.81   0.001% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD1   ILE   19  13.63 +/- 1.36   0.002% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD1   ILE   19  16.29 +/- 0.96   0.001% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   ILE   19  17.44 +/- 2.12   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   19  22.87 +/- 1.87   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 109 (0.74, 0.74, 12.33 ppm):
    1 diagonal assignment:
    *     QD1   ILE   19 - QD1   ILE   19  (1.00)  kept
 
    Peak 110 (4.63, 4.63, 51.23 ppm):
    1 diagonal assignment:
    *     HA    ALA   20 - HA    ALA   20  (1.00)  kept
 
    Peak 111 (1.14, 4.63, 51.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 15.2:
    * O T QB    ALA   20 - HA    ALA   20   2.12 +/- 0.01  99.997% * 99.6998% (1.00  10.0 10.00   2.31  15.25) = 100.000%  kept
          HB3   LEU   31 - HA    ALA   20  14.21 +/- 0.60   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    ALA   20  15.41 +/- 1.04   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    ALA   20  19.00 +/- 1.33   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    ALA   20  18.28 +/- 1.23   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ALA   20  24.00 +/- 2.01   0.000% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ALA   20  23.05 +/- 3.61   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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% * 99.9427% (1.00  10.0 10.00   2.31  15.25) = 100.000%  kept
          HA    LEU   71 - QB    ALA   20   9.80 +/- 0.42   0.011% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    ALA   20  19.82 +/- 1.24   0.000% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.61, residual support = 28.9:
    * O T HB2   CYS   21 - HA    CYS   21   2.80 +/- 0.29  99.992% * 99.9059% (1.00  10.0 10.00   2.61  28.87) = 100.000%  kept
          HB2   PHE   45 - HA    CYS   21  14.16 +/- 1.21   0.008% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    CYS   21  25.26 +/- 2.06   0.000% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 116 (2.60, 4.59, 57.78 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 2.62, residual support = 28.9:
    * O T HB3   CYS   21 - HA    CYS   21   2.54 +/- 0.10  99.998% * 99.9348% (0.69  10.0 10.00   2.62  28.87) = 100.000%  kept
          HG2   MET   96 - HA    CYS   21  16.50 +/- 1.71   0.002% *  0.0652% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.44, residual support = 28.9:
    * O T HB3   CYS   21 - HB2   CYS   21   1.75 +/- 0.00  99.999% * 99.9348% (0.69  10.0 10.00   2.44  28.87) = 100.000%  kept
          HG2   MET   96 - HB2   CYS   21  14.31 +/- 2.35   0.001% *  0.0652% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 121 (3.08, 2.60, 28.30 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 2.44, residual support = 28.9:
    * O T HB2   CYS   21 - HB3   CYS   21   1.75 +/- 0.00  99.999% * 99.9059% (0.69  10.0 10.00   2.44  28.87) = 100.000%  kept
          HB2   PHE   45 - HB3   CYS   21  13.07 +/- 1.97   0.001% *  0.0375% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   CYS   21  24.58 +/- 2.33   0.000% *  0.0566% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 122 (2.60, 2.60, 28.30 ppm):
    1 diagonal assignment:
    *     HB3   CYS   21 - HB3   CYS   21  (0.47)  kept
 
    Peak 123 (4.68, 4.68, 56.96 ppm):
    1 diagonal assignment:
    *     HA    HIS   22 - HA    HIS   22  (0.89)  kept
 
    Peak 124 (3.50, 4.68, 56.96 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 2.33, residual support = 34.7:
    * O T HB2   HIS   22 - HA    HIS   22   2.65 +/- 0.31  99.999% * 99.8331% (0.76  10.0 10.00   2.33  34.66) = 100.000%  kept
          HA    LEU   63 - HA    HIS   22  20.97 +/- 1.03   0.001% *  0.1244% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HA    HIS   22  23.23 +/- 2.02   0.000% *  0.0425% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 125 (3.24, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 34.7:
    * O T HB3   HIS   22 - HA    HIS   22   2.78 +/- 0.28  99.999% * 99.9165% (0.95  10.0 10.00   3.46  34.66) = 100.000%  kept
          HD3   ARG+  54 - HA    HIS   22  22.08 +/- 4.01   0.001% *  0.0835% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 126 (4.68, 3.50, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.757, support = 2.33, residual support = 34.7:
    * O T HA    HIS   22 - HB2   HIS   22   2.65 +/- 0.31  99.991% * 99.7956% (0.76  10.0 10.00   2.33  34.66) = 100.000%  kept
          HA    VAL   43 - HB2   HIS   22  13.50 +/- 0.90   0.009% *  0.0998% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB2   HIS   22  20.87 +/- 1.30   0.001% *  0.1046% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 127 (3.50, 3.50, 29.58 ppm):
    1 diagonal assignment:
    *     HB2   HIS   22 - HB2   HIS   22  (0.64)  kept
 
    Peak 128 (3.24, 3.50, 29.58 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 34.7:
    * O T HB3   HIS   22 - HB2   HIS   22   1.75 +/- 0.00 100.000% * 99.9165% (0.80  10.0 10.00   4.26  34.66) = 100.000%  kept
          HD3   ARG+  54 - HB2   HIS   22  24.25 +/- 4.15   0.000% *  0.0835% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 129 (4.68, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.46, residual support = 34.7:
    * O T HA    HIS   22 - HB3   HIS   22   2.78 +/- 0.28  99.990% * 99.7956% (0.95  10.0 10.00   3.46  34.66) = 100.000%  kept
          HA    VAL   43 - HB3   HIS   22  13.50 +/- 0.89   0.010% *  0.0998% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB3   HIS   22  20.85 +/- 1.28   0.001% *  0.1046% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 130 (3.50, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 34.7:
    * O T HB2   HIS   22 - HB3   HIS   22   1.75 +/- 0.00 100.000% * 99.8331% (0.80  10.0 10.00   4.26  34.66) = 100.000%  kept
          HA    LEU   63 - HB3   HIS   22  22.68 +/- 0.99   0.000% *  0.1244% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   HIS   22  23.37 +/- 2.40   0.000% *  0.0425% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 131 (3.24, 3.24, 29.58 ppm):
    1 diagonal assignment:
    *     HB3   HIS   22 - HB3   HIS   22  (1.00)  kept
 
    Peak 132 (4.83, 4.83, 58.62 ppm):
    1 diagonal assignment:
    *     HA    THR   23 - HA    THR   23  (0.64)  kept
 
    Peak 133 (1.28, 4.83, 58.62 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.25, residual support = 19.0:
    * O T QG2   THR   23 - HA    THR   23   2.83 +/- 0.31  99.737% * 99.3383% (0.80  10.0 10.00   3.25  19.04) = 100.000%  kept
          QG2   THR   77 - HA    THR   23   8.77 +/- 1.46   0.224% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   23  13.79 +/- 1.49   0.012% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    THR   23  12.74 +/- 0.67   0.015% *  0.0830% (0.67   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    THR   23  15.24 +/- 1.01   0.005% *  0.2212% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   23  15.78 +/- 2.55   0.006% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    THR   23  23.24 +/- 1.09   0.000% *  0.0445% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 134 (4.83, 1.28, 21.81 ppm):
    12 chemical-shift based assignments, quality = 0.485, support = 3.25, residual support = 19.0:
      O   HB    THR   23 - QG2   THR   23   2.15 +/- 0.01  80.685% * 25.6645% (0.28  10.0  1.00   3.25  19.04) =  60.428%  kept
    * O T HA    THR   23 - QG2   THR   23   2.83 +/- 0.31  18.346% * 73.9129% (0.80  10.0 10.00   3.25  19.04) =  39.571%  kept
          HA    LEU   80 - QG2   THR   23   5.23 +/- 1.33   0.879% *  0.0379% (0.41   1.0  1.00   0.02   5.63) =   0.001%
          HA    ASP-  78 - QG2   THR   23   9.86 +/- 1.09   0.011% *  0.0915% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QB    ALA   91   9.54 +/- 2.44   0.072% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   23 - QB    ALA   91  13.79 +/- 1.49   0.002% *  0.0777% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   23 - QG2   THR   39  15.24 +/- 1.01   0.001% *  0.1646% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QB    ALA   91  12.20 +/- 1.31   0.003% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QB    ALA   91  14.82 +/- 1.93   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QG2   THR   39  16.52 +/- 1.01   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - QG2   THR   39  18.83 +/- 1.62   0.000% *  0.0084% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   39  22.03 +/- 0.86   0.000% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 135 (1.28, 1.28, 21.81 ppm):
    3 diagonal assignments:
    *     QG2   THR   23 - QG2   THR   23  (1.00)  kept
          QG2   THR   39 - QG2   THR   39  (0.05)  kept
          QB    ALA   91 - QB    ALA   91  (0.02)  kept
 
    Peak 136 (3.77, 3.77, 66.14 ppm):
    1 diagonal assignment:
    *     HA    VAL   24 - HA    VAL   24  (1.00)  kept
 
    Peak 137 (1.10, 3.77, 66.14 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 66.7:
    * O T QG1   VAL   24 - HA    VAL   24   2.27 +/- 0.48  99.960% * 99.7332% (1.00  10.0 10.00   3.42  66.65) = 100.000%  kept
          HB3   LEU   31 - HA    VAL   24   9.47 +/- 0.50   0.038% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    VAL   24  17.10 +/- 1.36   0.002% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    VAL   24  26.45 +/- 2.90   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL   24  22.58 +/- 1.59   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.06 A, kept.
 
    Peak 138 (3.77, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 66.7:
    * O T HA    VAL   24 - QG1   VAL   24   2.27 +/- 0.48  99.997% * 99.8757% (1.00  10.0 10.00   3.42  66.65) = 100.000%  kept
          HA    LYS+  38 - QG1   VAL   24  15.62 +/- 1.08   0.001% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QG1   VAL   24  16.84 +/- 2.12   0.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QG1   VAL   24  19.07 +/- 1.48   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.01 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 = 5.18, residual support = 127.5:
    * O T HB2   GLU-  25 - HA    GLU-  25   2.98 +/- 0.03  99.957% * 99.2829% (1.00  10.0 10.00   5.18 127.47) = 100.000%  kept
        T HB2   GLU-  25 - HA    SER   82  12.00 +/- 1.04   0.027% *  0.3216% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    GLU-  25  15.65 +/- 1.09   0.005% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU-  25  18.16 +/- 1.35   0.002% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU-  25  20.63 +/- 0.72   0.001% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   82  16.66 +/- 2.44   0.005% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  25  20.94 +/- 0.29   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    SER   82  22.94 +/- 1.19   0.001% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  25  21.34 +/- 1.49   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    SER   82  25.56 +/- 1.13   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   82  28.33 +/- 2.17   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   82  27.15 +/- 3.21   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.74 +/- 0.05  99.873% * 98.0202% (1.00  10.0 10.00   5.00 127.47) = 100.000%  kept
        T HB3   GLU-  25 - HA    SER   82  11.37 +/- 1.69   0.029% *  0.3175% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HA    GLU-  25  13.84 +/- 0.87   0.007% *  0.7491% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU-  25   9.04 +/- 0.68   0.086% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HA    SER   82  20.03 +/- 1.30   0.001% *  0.2427% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU-  25  19.49 +/- 1.27   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU-  25  20.13 +/- 0.63   0.001% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  25  25.48 +/- 1.82   0.000% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    SER   82  17.98 +/- 1.57   0.001% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  25  25.80 +/- 1.14   0.000% *  0.0673% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU-  25  25.49 +/- 1.39   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    SER   82  23.29 +/- 1.53   0.000% *  0.0265% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  25  29.77 +/- 2.67   0.000% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    SER   82  24.76 +/- 1.37   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    SER   82  25.60 +/- 1.15   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    SER   82  26.66 +/- 2.55   0.000% *  0.0285% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    SER   82  30.76 +/- 1.48   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    SER   82  30.68 +/- 1.08   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.13 +/- 0.24  99.977% * 99.4877% (1.00  10.0 10.00   4.31 127.47) = 100.000%  kept
        T HG2   GLU-  25 - HA    SER   82  11.50 +/- 1.35   0.005% *  0.3223% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    SER   82   9.61 +/- 0.28   0.016% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    GLU-  25  15.33 +/- 1.59   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    GLU-  25  20.05 +/- 1.19   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    SER   82  20.16 +/- 1.57   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    GLU-  25  32.40 +/- 1.43   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    GLU-  25  31.22 +/- 1.26   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    SER   82  31.38 +/- 1.34   0.000% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    SER   82  30.43 +/- 1.46   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 144 (2.33, 4.18, 61.45 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 127.5:
    * O T HG3   GLU-  25 - HA    GLU-  25   3.30 +/- 0.27  99.689% * 99.2510% (1.00  10.0 10.00   3.74 127.47) = 100.000%  kept
        T HG3   GLU-  25 - HA    SER   82  11.70 +/- 1.26   0.062% *  0.3215% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  25  11.68 +/- 1.64   0.075% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    SER   82   9.97 +/- 0.55   0.152% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU-  25  16.59 +/- 0.86   0.007% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    SER   82  17.87 +/- 2.72   0.007% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    SER   82  20.54 +/- 2.68   0.002% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  25  25.41 +/- 1.80   0.001% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  25  23.52 +/- 1.81   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  25  25.07 +/- 1.99   0.001% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    SER   82  22.90 +/- 1.86   0.001% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    GLU-  25  28.12 +/- 1.62   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    SER   82  25.97 +/- 2.31   0.001% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    SER   82  27.85 +/- 1.95   0.000% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.18 A, kept.
 
    Peak 145 (4.18, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.18, residual support = 127.5:
    * O T HA    GLU-  25 - HB2   GLU-  25   2.98 +/- 0.03  99.960% * 99.2383% (1.00  10.0 10.00   5.18 127.47) = 100.000%  kept
        T HA    SER   82 - HB2   GLU-  25  12.00 +/- 1.04   0.027% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   GLU-  25  13.37 +/- 0.50   0.013% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   GLU-  25  23.94 +/- 1.86   0.000% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.18, residual support = 127.5:
    * O T HB3   GLU-  25 - HB2   GLU-  25   1.75 +/- 0.00  99.993% * 97.2368% (1.00  10.0 10.00   5.18 127.47) = 100.000%  kept
          HG3   GLN   30 - HB2   GLU-  25   9.15 +/- 0.94   0.006% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HB2   GLU-  25  18.86 +/- 1.12   0.000% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HB2   GLU-  25  18.91 +/- 0.65   0.000% *  0.9198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB2   GLU-  25  13.23 +/- 0.75   0.001% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB2   GLU-  25  25.45 +/- 1.60   0.000% *  0.5898% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB2   GLU-  25  26.25 +/- 1.84   0.000% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB2   GLU-  25  25.90 +/- 1.18   0.000% *  0.0668% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU-  25  30.40 +/- 2.81   0.000% *  0.0872% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 148 (2.52, 2.20, 28.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.49, residual support = 127.5:
    * O T HG2   GLU-  25 - HB2   GLU-  25   2.92 +/- 0.18  99.991% * 99.8559% (1.00  10.0 10.00   4.49 127.47) = 100.000%  kept
          HB3   TRP   87 - HB2   GLU-  25  16.63 +/- 2.03   0.008% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB2   GLU-  25  20.76 +/- 1.17   0.001% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   GLU-  25  32.70 +/- 1.59   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB2   GLU-  25  31.53 +/- 1.37   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 149 (2.33, 2.20, 28.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.92, residual support = 127.5:
    * O T HG3   GLU-  25 - HB2   GLU-  25   2.73 +/- 0.13  99.956% * 99.6757% (1.00  10.0 10.00   3.92 127.47) = 100.000%  kept
          HB2   GLU-  79 - HB2   GLU-  25  10.57 +/- 1.76   0.041% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   GLU-  25  17.67 +/- 0.93   0.001% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB2   GLU-  25  25.39 +/- 2.05   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  25  23.81 +/- 1.99   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  25  25.82 +/- 2.10   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   GLU-  25  27.86 +/- 1.75   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.01 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   2.74 +/- 0.05  99.965% * 98.4268% (1.00  10.0 10.00   5.00 127.47) = 100.000%  kept
        T HA    SER   82 - HB3   GLU-  25  11.37 +/- 1.69   0.029% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HB3   GLU-  25  14.12 +/- 0.50   0.006% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB3   GLU-  25  24.10 +/- 1.92   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 151 (2.20, 2.01, 28.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.18, residual support = 127.5:
    * O T HB2   GLU-  25 - HB3   GLU-  25   1.75 +/- 0.00 100.000% * 98.0062% (1.00  10.0 10.00   5.18 127.47) = 100.000%  kept
        T QG    GLN   17 - HB3   GLU-  25  17.81 +/- 1.49   0.000% *  0.9607% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB3   GLU-  25  21.54 +/- 0.85   0.000% *  0.9271% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU-  25  17.12 +/- 1.19   0.000% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB3   GLU-  25  22.67 +/- 0.65   0.000% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLU-  25  23.31 +/- 1.56   0.000% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 152 (2.01, 2.01, 28.95 ppm):
    1 diagonal assignment:
    *     HB3   GLU-  25 - HB3   GLU-  25  (1.00)  kept
 
    Peak 153 (2.52, 2.01, 28.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 127.5:
    * O T HG2   GLU-  25 - HB3   GLU-  25   2.79 +/- 0.10  99.995% * 99.8559% (1.00  10.0 10.00   4.44 127.47) = 100.000%  kept
          HB3   TRP   87 - HB3   GLU-  25  16.30 +/- 2.03   0.004% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB3   GLU-  25  20.97 +/- 1.19   0.001% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   GLU-  25  32.97 +/- 1.65   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB3   GLU-  25  31.81 +/- 1.41   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.34 +/- 0.13  99.978% * 99.2075% (1.00  10.0 10.00   3.87 127.47) = 100.000%  kept
          HB2   GLU-  79 - HB3   GLU-  25  10.56 +/- 1.97   0.021% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU- 114 - HB3   GLU-  25  25.86 +/- 2.04   0.000% *  0.5220% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   GLU-  25  18.08 +/- 1.06   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   GLU-  25  25.44 +/- 2.15   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  25  23.74 +/- 1.78   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU-  25  28.24 +/- 1.67   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.03 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   2.13 +/- 0.24  99.994% * 99.2383% (1.00  10.0 10.00   4.31 127.47) = 100.000%  kept
        T HA    SER   82 - HG2   GLU-  25  11.50 +/- 1.35   0.005% *  0.6019% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HG2   GLU-  25  15.87 +/- 0.44   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG2   GLU-  25  25.58 +/- 1.79   0.000% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 156 (2.20, 2.52, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.49, residual support = 127.5:
    * O T HB2   GLU-  25 - HG2   GLU-  25   2.92 +/- 0.18  99.995% * 99.7000% (1.00  10.0 10.00   4.49 127.47) = 100.000%  kept
          QG    GLN   17 - HG2   GLU-  25  19.34 +/- 1.40   0.001% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG2   GLU-  25  17.62 +/- 1.13   0.002% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   GLU-  25  22.47 +/- 0.74   0.001% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  25  22.47 +/- 0.44   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  25  23.04 +/- 1.54   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.79 +/- 0.10  99.951% * 99.4104% (1.00  10.0 10.00   4.44 127.47) = 100.000%  kept
          HG3   GLN   30 - HG2   GLU-  25  10.50 +/- 0.90   0.044% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   GLU-  25  15.39 +/- 0.78   0.004% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLU-  25  20.72 +/- 1.27   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLU-  25  21.46 +/- 0.60   0.000% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   GLU-  25  27.13 +/- 1.94   0.000% *  0.0830% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   GLU-  25  27.56 +/- 1.16   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLU-  25  27.20 +/- 1.48   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU-  25  31.53 +/- 2.79   0.000% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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% * 99.6757% (1.00  10.0 10.00   3.31 127.47) = 100.000%  kept
          HB2   GLU-  79 - HG2   GLU-  25  12.36 +/- 1.69   0.001% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   GLU-  25  17.59 +/- 1.16   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  25  26.77 +/- 2.04   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  25  24.87 +/- 2.17   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  25  26.71 +/- 2.11   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU-  25  29.83 +/- 1.67   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 160 (4.18, 2.33, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 127.5:
    * O T HA    GLU-  25 - HG3   GLU-  25   3.30 +/- 0.27  99.929% * 98.4268% (1.00  10.0 10.00   3.74 127.47) = 100.000%  kept
        T HA    SER   82 - HG3   GLU-  25  11.70 +/- 1.26   0.062% *  0.5970% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE   19 - HG3   GLU-  25  16.00 +/- 0.49   0.009% *  0.9086% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HG3   GLU-  25  25.88 +/- 1.91   0.001% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.12 A, kept.
 
    Peak 161 (2.20, 2.33, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.92, residual support = 127.5:
    * O T HB2   GLU-  25 - HG3   GLU-  25   2.73 +/- 0.13  99.997% * 99.7000% (1.00  10.0 10.00   3.92 127.47) = 100.000%  kept
          QG    GLN   17 - HG3   GLU-  25  19.44 +/- 1.47   0.001% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HG3   GLU-  25  18.67 +/- 1.23   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   GLU-  25  23.28 +/- 0.80   0.000% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG3   GLU-  25  23.66 +/- 0.48   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  25  24.35 +/- 1.54   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.20 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   2.34 +/- 0.13  99.988% * 98.6730% (1.00  10.0 10.00   3.87 127.47) = 100.000%  kept
          HG3   GLN   30 - HG3   GLU-  25  11.22 +/- 0.84   0.011% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   GLU-  25  15.81 +/- 0.78   0.001% *  0.0754% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HG3   GLU-  25  27.82 +/- 1.88   0.000% *  0.8242% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   GLU-  25  21.06 +/- 1.23   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   GLU-  25  21.53 +/- 0.66   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   GLU-  25  27.84 +/- 1.53   0.000% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   GLU-  25  28.26 +/- 1.18   0.000% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   GLU-  25  32.17 +/- 2.87   0.000% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.01 A, kept.
 
    Peak 163 (2.52, 2.33, 37.82 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 127.5:
    * O T HG2   GLU-  25 - HG3   GLU-  25   1.75 +/- 0.00 100.000% * 99.8559% (1.00  10.0 10.00   3.31 127.47) = 100.000%  kept
          HB3   TRP   87 - HG3   GLU-  25  17.42 +/- 1.95   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   95 - HG3   GLU-  25  22.76 +/- 1.26   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG3   GLU-  25  34.86 +/- 1.53   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLN  116 - HG3   GLU-  25  33.71 +/- 1.31   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 164 (2.33, 2.33, 37.82 ppm):
    1 diagonal assignment:
    *     HG3   GLU-  25 - HG3   GLU-  25  (1.00)  kept
 
    Peak 165 (4.15, 4.15, 66.74 ppm):
    1 diagonal assignment:
    *     HA    THR   26 - HA    THR   26  (1.00)  kept
 
    Peak 166 (4.23, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.16, residual support = 35.4:
    * O T HB    THR   26 - HA    THR   26   3.03 +/- 0.03  99.999% * 99.8279% (1.00  10.0 10.00   3.16  35.45) = 100.000%  kept
          HA    ASP-  62 - HA    THR   26  23.76 +/- 1.39   0.000% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HA    THR   26  30.18 +/- 1.40   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.63 A, kept.
 
    Peak 167 (1.50, 4.15, 66.74 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.16, residual support = 35.4:
    * O T QG2   THR   26 - HA    THR   26   2.59 +/- 0.14  99.987% * 99.3101% (1.00  10.0 10.00   3.16  35.45) = 100.000%  kept
          HB2   LYS+  74 - HA    THR   26  12.01 +/- 0.54   0.010% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    THR   26  17.61 +/- 0.60   0.001% *  0.2761% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR   26  21.98 +/- 2.64   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    THR   26  23.02 +/- 0.96   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR   26  20.68 +/- 1.69   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    THR   26  27.31 +/- 2.31   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    THR   26  25.90 +/- 2.44   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    THR   26  25.17 +/- 1.26   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    THR   26  26.03 +/- 1.55   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 168 (4.15, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.16, residual support = 35.4:
    * O T HA    THR   26 - HB    THR   26   3.03 +/- 0.03  99.493% * 99.6617% (1.00  10.0 10.00   3.16  35.45) = 100.000%  kept
          HA    ASN   28 - HB    THR   26   7.80 +/- 0.11   0.344% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB    THR   26   9.14 +/- 0.59   0.146% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB    THR   26  13.63 +/- 0.67   0.013% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB    THR   26  18.76 +/- 2.48   0.003% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    THR   26  21.42 +/- 1.81   0.001% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB    THR   26  24.09 +/- 1.41   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB    THR   26  28.02 +/- 1.70   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.58 A, kept.
 
    Peak 169 (4.23, 4.23, 69.37 ppm):
    1 diagonal assignment:
    *     HB    THR   26 - HB    THR   26  (1.00)  kept
 
    Peak 170 (1.50, 4.23, 69.37 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 35.4:
    * O T QG2   THR   26 - HB    THR   26   2.17 +/- 0.01  99.983% * 99.4369% (1.00  10.0 10.00   3.00  35.45) = 100.000%  kept
          HB2   LYS+  74 - HB    THR   26   9.49 +/- 0.65   0.016% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB    THR   26  20.24 +/- 2.73   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB    THR   26  17.73 +/- 0.86   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  120 - HB    THR   26  24.25 +/- 1.26   0.000% *  0.1346% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB    THR   26  21.93 +/- 1.08   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB    THR   26  26.41 +/- 2.21   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB    THR   26  20.76 +/- 1.88   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB    THR   26  25.14 +/- 2.44   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    THR   26  24.23 +/- 1.62   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 171 (4.15, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.16, residual support = 35.4:
    * O T HA    THR   26 - QG2   THR   26   2.59 +/- 0.14  99.011% * 98.6211% (1.00  10.0 10.00   3.16  35.45) = 100.000%  kept
          HA    ILE   19 - QG2   THR   26   6.44 +/- 0.65   0.543% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG2   THR   26   6.56 +/- 0.14   0.404% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG2   THR   26   9.85 +/- 0.59   0.037% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   THR   26  15.00 +/- 2.02   0.004% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QG2   THR   26  19.89 +/- 1.01   0.001% *  0.3364% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - QG2   THR   26  23.22 +/- 1.23   0.000% *  0.8238% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   THR   26  18.23 +/- 1.33   0.001% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 172 (4.23, 1.50, 23.02 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 35.4:
    * O T HB    THR   26 - QG2   THR   26   2.17 +/- 0.01 100.000% * 99.1149% (1.00  10.0 10.00   3.00  35.45) = 100.000%  kept
        T HA    SER  117 - QG2   THR   26  23.62 +/- 1.14   0.000% *  0.7936% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QG2   THR   26  17.49 +/- 1.19   0.000% *  0.0915% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 173 (1.50, 1.50, 23.02 ppm):
    1 diagonal assignment:
    *     QG2   THR   26 - QG2   THR   26  (1.00)  kept
 
    Peak 174 (4.49, 4.49, 60.67 ppm):
    1 diagonal assignment:
    *     HA    TRP   27 - HA    TRP   27  (1.00)  kept
 
    Peak 175 (3.56, 4.49, 60.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 107.8:
    * O T HB2   TRP   27 - HA    TRP   27   2.97 +/- 0.06  99.985% * 99.8554% (1.00  10.0 10.00   4.74 107.84) = 100.000%  kept
          HA    THR   77 - HA    TRP   27  13.41 +/- 1.24   0.014% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HA    TRP   27  19.85 +/- 1.16   0.001% *  0.0999% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 176 (2.99, 4.49, 60.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 107.8:
    * O T HB3   TRP   27 - HA    TRP   27   2.36 +/- 0.13  99.993% * 99.7166% (1.00  10.0 10.00   4.76 107.84) = 100.000%  kept
          HB2   PHE   97 - HA    TRP   27  15.27 +/- 1.05   0.002% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    TRP   27  14.72 +/- 0.67   0.002% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    TRP   27  15.63 +/- 1.75   0.002% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    TRP   27  17.35 +/- 1.21   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    TRP   27  16.46 +/- 0.67   0.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 177 (4.49, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 107.8:
    * O T HA    TRP   27 - HB2   TRP   27   2.97 +/- 0.06  99.996% * 99.7755% (1.00  10.0 10.00   4.74 107.84) = 100.000%  kept
          HA    ALA   91 - HB2   TRP   27  18.00 +/- 1.45   0.002% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   TRP   27  19.76 +/- 1.07   0.001% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB2   TRP   27  23.58 +/- 1.10   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 107.8:
    * O T HB3   TRP   27 - HB2   TRP   27   1.75 +/- 0.00  99.999% * 99.7166% (1.00  10.0 10.00   4.97 107.84) = 100.000%  kept
          HB2   PHE   97 - HB2   TRP   27  15.91 +/- 1.21   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   TRP   27  16.19 +/- 1.98   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   TRP   27  17.08 +/- 1.48   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HB2   TRP   27  16.31 +/- 0.85   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB2   TRP   27  18.16 +/- 0.80   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 180 (4.49, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 107.8:
    * O T HA    TRP   27 - HB3   TRP   27   2.36 +/- 0.13  99.999% * 99.7755% (1.00  10.0 10.00   4.76 107.84) = 100.000%  kept
          HA    ALA   91 - HB3   TRP   27  17.85 +/- 1.40   0.001% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   TRP   27  18.75 +/- 1.05   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   TRP   27  22.82 +/- 1.08   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 181 (3.56, 2.99, 30.32 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 107.8:
    * O T HB2   TRP   27 - HB3   TRP   27   1.75 +/- 0.00  99.998% * 99.8554% (1.00  10.0 10.00   4.97 107.84) = 100.000%  kept
          HA    THR   77 - HB3   TRP   27  11.56 +/- 1.57   0.002% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HB3   TRP   27  18.15 +/- 1.32   0.000% *  0.0999% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 182 (2.99, 2.99, 30.32 ppm):
    1 diagonal assignment:
    *     HB3   TRP   27 - HB3   TRP   27  (1.00)  kept
 
    Peak 183 (4.13, 4.13, 56.27 ppm):
    1 diagonal assignment:
    *     HA    ASN   28 - HA    ASN   28  (1.00)  kept
 
    Peak 184 (2.93, 4.13, 56.27 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.46, residual support = 106.2:
    * O T HB2   ASN   28 - HA    ASN   28   3.06 +/- 0.01  99.568% * 99.2152% (1.00  10.0 10.00   4.46 106.18) =  99.999%  kept
        T HB2   ASN   35 - HA    ASN   28   9.04 +/- 0.77   0.170% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          QE    LYS+  33 - HA    ASN   28   9.10 +/- 1.22   0.191% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   28  11.39 +/- 2.02   0.061% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   28  15.28 +/- 1.75   0.008% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   28  18.58 +/- 1.15   0.002% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   28  22.25 +/- 1.80   0.001% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 185 (2.73, 4.13, 56.27 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.19, residual support = 106.2:
    * O T HB3   ASN   28 - HA    ASN   28   2.53 +/- 0.09  99.721% * 99.8456% (1.00  10.0 10.00   4.19 106.18) = 100.000%  kept
          HG2   GLN   30 - HA    ASN   28   6.82 +/- 0.39   0.278% *  0.0922% (0.92   1.0  1.00   0.02   8.35) =   0.000%
          QE    LYS+ 121 - HA    ASN   28  22.39 +/- 2.48   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASN   28  22.21 +/- 2.97   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 186 (4.13, 2.93, 38.30 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.46, residual support = 106.2:
    * O T HA    ASN   28 - HB2   ASN   28   3.06 +/- 0.01  90.617% * 99.0365% (1.00  10.0 10.00   4.46 106.18) =  99.996%  kept
          HA    THR   26 - HB2   ASN   28   4.82 +/- 0.26   6.177% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA   34 - HB2   ASN   35   5.74 +/- 0.33   2.171% *  0.0291% (0.29   1.0  1.00   0.02  18.76) =   0.001%
        T HA    ASN   28 - HB2   ASN   35   9.04 +/- 0.77   0.154% *  0.3081% (0.31   1.0 10.00   0.02   0.02) =   0.001%
          HA1   GLY  101 - HB2   ASN   35   8.00 +/- 1.66   0.824% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ASN   28  12.30 +/- 0.27   0.021% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ASN   28  15.14 +/- 2.34   0.010% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   ASN   35  13.06 +/- 0.72   0.016% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   28  15.20 +/- 1.87   0.007% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   28  25.82 +/- 1.12   0.000% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   28  26.44 +/- 1.96   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   35  24.09 +/- 4.59   0.001% *  0.0162% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   35  25.14 +/- 1.23   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   28  29.15 +/- 1.53   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   28  29.94 +/- 3.64   0.000% *  0.0521% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   35  27.84 +/- 1.48   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   35  24.05 +/- 2.00   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   35  29.92 +/- 2.07   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.41, residual support = 106.2:
    * O T HB3   ASN   28 - HB2   ASN   28   1.75 +/- 0.00  99.976% * 99.4888% (1.00  10.0 10.00   5.41 106.18) = 100.000%  kept
          HG2   GLN   30 - HB2   ASN   28   7.38 +/- 0.34   0.019% *  0.0918% (0.92   1.0  1.00   0.02   8.35) =   0.000%
        T HB3   ASN   28 - HB2   ASN   35   9.93 +/- 0.60   0.003% *  0.3095% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLN   30 - HB2   ASN   35  11.23 +/- 0.80   0.002% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   35  21.04 +/- 3.13   0.000% *  0.0139% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   28  24.91 +/- 2.42   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   28  24.81 +/- 2.91   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   35  21.16 +/- 3.43   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 189 (4.13, 2.73, 38.30 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.19, residual support = 106.2:
    * O T HA    ASN   28 - HB3   ASN   28   2.53 +/- 0.09  99.562% * 99.4977% (1.00  10.0 10.00   4.19 106.18) = 100.000%  kept
          HA    THR   26 - HB3   ASN   28   6.37 +/- 0.25   0.420% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   ASN   28  11.92 +/- 0.22   0.009% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   ASN   28  13.92 +/- 2.29   0.006% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   ASN   28  15.89 +/- 2.02   0.002% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB3   ASN   28  25.79 +/- 1.14   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   ASN   28  27.11 +/- 1.94   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   ASN   28  28.95 +/- 1.58   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   ASN   28  29.69 +/- 3.71   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 190 (2.93, 2.73, 38.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.41, residual support = 106.2:
    * O T HB2   ASN   28 - HB3   ASN   28   1.75 +/- 0.00  99.991% * 99.2152% (1.00  10.0 10.00   5.41 106.18) = 100.000%  kept
        T HB2   ASN   35 - HB3   ASN   28   9.93 +/- 0.60   0.003% *  0.4448% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   28   9.78 +/- 1.42   0.005% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HB3   ASN   28  12.11 +/- 1.81   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   28  19.42 +/- 1.15   0.000% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   28  16.37 +/- 1.73   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASN   28  24.19 +/- 1.89   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 191 (2.73, 2.73, 38.30 ppm):
    1 diagonal assignment:
    *     HB3   ASN   28 - HB3   ASN   28  (1.00)  kept
 
    Peak 192 (4.00, 4.00, 59.66 ppm):
    3 diagonal assignments:
    *     HA    GLU-  29 - HA    GLU-  29  (1.00)  kept
          HA    LYS+  33 - HA    LYS+  33  (0.26)  kept
          HA    GLN   32 - HA    GLN   32  (0.10)  kept
 
    Peak 193 (2.25, 4.00, 59.66 ppm):
    33 chemical-shift based assignments, quality = 0.998, support = 4.7, residual support = 94.7:
    * O T HB2   GLU-  29 - HA    GLU-  29   3.00 +/- 0.10  99.358% * 98.3644% (1.00  10.0 10.00   4.70  94.66) =  99.999%  kept
        T HB2   GLU-  29 - HA    GLN   32   8.11 +/- 0.23   0.263% *  0.2203% (0.22   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   GLU-  29 - HA    LYS+  33   8.59 +/- 0.43   0.193% *  0.2698% (0.27   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PHE   72 - HA    GLU-  29  15.89 +/- 0.78   0.005% *  0.3692% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PHE   72 - HA    LYS+  33  15.32 +/- 0.91   0.006% *  0.1013% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LYS+  33  11.54 +/- 1.72   0.043% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   32  11.52 +/- 1.81   0.048% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLU-  29  15.90 +/- 2.18   0.007% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  29  16.38 +/- 1.79   0.005% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    LYS+  33  14.27 +/- 2.39   0.016% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    LYS+  33  13.31 +/- 2.04   0.024% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU-  29  17.97 +/- 1.13   0.002% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLU-  29  16.25 +/- 1.63   0.005% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  29  17.02 +/- 1.22   0.003% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  29  21.38 +/- 1.40   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   32  16.43 +/- 0.88   0.004% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU-  29  23.62 +/- 1.10   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   32  17.27 +/- 2.23   0.004% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   32  16.33 +/- 2.01   0.006% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  29  26.44 +/- 1.25   0.000% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  29  27.50 +/- 1.12   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LYS+  33  18.42 +/- 0.98   0.002% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   32  18.03 +/- 0.87   0.002% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   32  21.40 +/- 1.14   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  33  22.24 +/- 1.13   0.001% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   32  21.37 +/- 1.04   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  33  22.32 +/- 1.01   0.001% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LYS+  33  25.22 +/- 1.49   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLN   32  23.12 +/- 1.72   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   32  25.37 +/- 1.35   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LYS+  33  25.43 +/- 1.60   0.000% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLN   32  28.42 +/- 0.97   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  33  30.10 +/- 0.64   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.31 A, kept.
 
    Peak 194 (2.16, 4.00, 59.66 ppm):
    18 chemical-shift based assignments, quality = 0.819, support = 5.13, residual support = 93.9:
      O   HB3   GLU-  29 - HA    GLU-  29   2.55 +/- 0.14  40.716% * 44.1523% (0.80  10.0  1.00   5.13  94.66) =  86.160%  kept
    * O T HG3   GLU-  29 - HA    GLU-  29   3.61 +/- 0.17   4.930% * 55.1395% (1.00  10.0 10.00   5.33  94.66) =  13.028%  kept
          QB    GLU-  36 - HA    LYS+  33   2.43 +/- 0.25  53.312% *  0.3176% (0.13   1.0  1.00   0.86   0.02) =   0.812%  kept
          QB    GLU-  36 - HA    GLN   32   4.90 +/- 0.32   0.810% *  0.0060% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - HA    LYS+  33   9.90 +/- 0.83   0.013% *  0.1512% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  29   8.10 +/- 0.55   0.041% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  33   7.67 +/- 0.65   0.061% *  0.0121% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLN   32   7.48 +/- 0.27   0.062% *  0.0099% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    LYS+  33   8.73 +/- 0.18   0.024% *  0.0110% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   32   8.97 +/- 0.29   0.020% *  0.0124% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   32  10.51 +/- 0.27   0.008% *  0.0090% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  29  15.06 +/- 0.34   0.001% *  0.0400% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  29  17.29 +/- 1.66   0.000% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  29  25.65 +/- 1.21   0.000% *  0.0522% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLN   32  21.12 +/- 1.66   0.000% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    LYS+  33  22.28 +/- 1.43   0.000% *  0.0062% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLN   32  27.52 +/- 1.61   0.000% *  0.0117% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  33  29.99 +/- 1.32   0.000% *  0.0143% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 195 (2.43, 4.00, 59.66 ppm):
    21 chemical-shift based assignments, quality = 0.998, support = 4.63, residual support = 94.7:
    * O T HG2   GLU-  29 - HA    GLU-  29   2.44 +/- 0.35  99.645% * 99.0116% (1.00  10.0 10.00   4.63  94.66) =  99.999%  kept
        T HG2   GLU-  29 - HA    LYS+  33   8.92 +/- 1.02   0.193% *  0.2716% (0.27   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   GLU-  29 - HA    GLN   32   7.56 +/- 0.36   0.150% *  0.2218% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  29  15.57 +/- 1.81   0.003% *  0.0956% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  19.09 +/- 1.09   0.001% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLN   32  17.05 +/- 2.82   0.002% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLU-  29  17.25 +/- 1.19   0.001% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    LYS+  33  20.37 +/- 2.43   0.001% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLN   32  15.84 +/- 1.16   0.002% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    LYS+  33  17.95 +/- 1.12   0.001% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  20.34 +/- 1.27   0.000% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  29  26.12 +/- 0.75   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  28.25 +/- 2.79   0.000% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  22.00 +/- 1.08   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.89 +/- 0.88   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    LYS+  33  24.76 +/- 1.08   0.000% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLN   32  25.77 +/- 0.76   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  28.28 +/- 2.94   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.85 +/- 0.88   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  23.03 +/- 0.78   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  28.20 +/- 2.54   0.000% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.05 A, kept.
 
    Peak 196 (4.00, 2.25, 30.32 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.7, residual support = 94.7:
    * O T HA    GLU-  29 - HB2   GLU-  29   3.00 +/- 0.10  99.519% * 98.1508% (1.00  10.0 10.00   4.70  94.66) =  99.997%  kept
        T HA    LYS+  33 - HB2   GLU-  29   8.59 +/- 0.43   0.193% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HB2   GLU-  29   8.11 +/- 0.23   0.263% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HB2   GLU-  29  13.99 +/- 1.78   0.012% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   GLU-  29  15.00 +/- 0.61   0.007% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   GLU-  29  16.07 +/- 0.71   0.004% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLU-  29  23.07 +/- 2.59   0.001% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   GLU-  29  21.51 +/- 1.48   0.001% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   GLU-  29  29.30 +/- 0.98   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   GLU-  29  27.43 +/- 1.73   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.841, support = 4.45, residual support = 94.7:
      O   HB3   GLU-  29 - HB2   GLU-  29   1.75 +/- 0.00  83.038% * 44.1051% (0.80  10.0  1.00   4.41  94.66) =  79.678%  kept
    * O T HG3   GLU-  29 - HB2   GLU-  29   2.29 +/- 0.06  16.958% * 55.0806% (1.00  10.0 10.00   4.62  94.66) =  20.322%  kept
          QB    GLU-  36 - HB2   GLU-  29   9.78 +/- 0.49   0.003% *  0.0268% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - HB2   GLU-  29  15.31 +/- 1.74   0.000% *  0.2264% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   GLU-  29  24.89 +/- 1.40   0.000% *  0.5210% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   GLU-  29  16.70 +/- 0.36   0.000% *  0.0400% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 199 (2.43, 2.25, 30.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.11, residual support = 94.7:
    * O T HG2   GLU-  29 - HB2   GLU-  29   2.87 +/- 0.10  99.991% * 99.6674% (1.00  10.0 10.00   4.11  94.66) = 100.000%  kept
          HB3   ASP-  86 - HB2   GLU-  29  15.71 +/- 1.77   0.005% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   GLU-  29  18.35 +/- 0.91   0.002% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   GLU-  29  17.86 +/- 1.07   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   GLU-  29  25.27 +/- 0.95   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   GLU-  29  27.55 +/- 2.91   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  29  23.74 +/- 0.95   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 204 (4.00, 2.43, 36.74 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.63, residual support = 94.7:
    * O T HA    GLU-  29 - HG2   GLU-  29   2.44 +/- 0.35  99.647% * 98.1508% (1.00  10.0 10.00   4.63  94.66) =  99.997%  kept
        T HA    LYS+  33 - HG2   GLU-  29   8.92 +/- 1.02   0.193% *  0.9305% (0.95   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLN   32 - HG2   GLU-  29   7.56 +/- 0.36   0.150% *  0.4410% (0.45   1.0 10.00   0.02   0.02) =   0.001%
          HB2   SER   82 - HG2   GLU-  29  13.82 +/- 2.05   0.004% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   GLU-  29  17.09 +/- 1.22   0.003% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   GLU-  29  17.48 +/- 1.47   0.003% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLU-  29  24.37 +/- 2.52   0.000% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   GLU-  29  21.59 +/- 1.43   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   GLU-  29  30.71 +/- 1.62   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   GLU-  29  28.71 +/- 1.84   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 205 (2.25, 2.43, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.11, residual support = 94.7:
    * O T HB2   GLU-  29 - HG2   GLU-  29   2.87 +/- 0.10  99.975% * 99.5124% (1.00  10.0 10.00   4.11  94.66) = 100.000%  kept
          QG    GLU-  14 - HG2   GLU-  29  16.24 +/- 2.57   0.009% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   GLU-  29  16.69 +/- 1.33   0.003% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   GLU-  29  17.40 +/- 1.26   0.002% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG2   GLU-  29  17.05 +/- 1.99   0.004% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  29  18.35 +/- 1.95   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   GLU-  29  17.55 +/- 1.56   0.003% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   GLU-  29  21.18 +/- 1.58   0.001% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG2   GLU-  29  24.96 +/- 1.31   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   GLU-  29  27.73 +/- 1.38   0.000% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   GLU-  29  27.51 +/- 1.84   0.000% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.43 A, kept.
 
    Peak 206 (2.16, 2.43, 36.74 ppm):
    6 chemical-shift based assignments, quality = 0.992, support = 4.34, residual support = 94.7:
    * O T HG3   GLU-  29 - HG2   GLU-  29   1.75 +/- 0.00  95.096% * 55.3193% (1.00  10.0 10.00   4.34  94.66) =  96.038%  kept
      O T HB3   GLU-  29 - HG2   GLU-  29   2.88 +/- 0.08   4.900% * 44.2962% (0.80  10.0 10.00   4.38  94.66) =   3.962%  kept
        T QB    GLU-  36 - HG2   GLU-  29   9.72 +/- 0.98   0.004% *  0.2693% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  29  17.01 +/- 0.87   0.000% *  0.0402% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  29  16.49 +/- 1.94   0.000% *  0.0227% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  29  25.44 +/- 1.46   0.000% *  0.0523% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 207 (2.43, 2.43, 36.74 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  29 - HG2   GLU-  29  (1.00)  kept
 
    Peak 208 (3.84, 3.84, 58.37 ppm):
    1 diagonal assignment:
    *     HA    GLN   30 - HA    GLN   30  (1.00)  kept
 
    Peak 209 (2.04, 3.84, 58.37 ppm):
    11 chemical-shift based assignments, quality = 0.909, support = 4.82, residual support = 156.0:
      O T HG3   GLN   30 - HA    GLN   30   2.34 +/- 0.47  71.958% * 46.1414% (0.87  10.0 10.00   4.76 156.00) =  69.006%  kept
    * O T HB2   GLN   30 - HA    GLN   30   2.78 +/- 0.13  28.035% * 53.1933% (1.00  10.0 10.00   4.96 156.00) =  30.994%  kept
          HB3   GLU- 100 - HA    GLN   30  14.95 +/- 1.69   0.001% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HA    GLN   30  21.15 +/- 1.69   0.000% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLN   30  12.78 +/- 1.61   0.004% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLN   30  17.90 +/- 1.54   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLN   30  15.52 +/- 1.01   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLN   30  23.35 +/- 1.27   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HA    GLN   30  28.68 +/- 2.31   0.000% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   30  24.79 +/- 1.28   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLN   30  27.64 +/- 2.84   0.000% *  0.0461% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 210 (1.89, 3.84, 58.37 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.15, residual support = 154.2:
    * O T HB3   GLN   30 - HA    GLN   30   2.90 +/- 0.17  61.114% * 97.6674% (1.00  10.0 10.00   5.20 156.00) =  98.825%  kept
          QB    LYS+  33 - HA    GLN   30   3.23 +/- 0.55  38.869% *  1.8265% (0.25   1.0  1.00   1.50   0.17) =   1.175%  kept
          HB3   LYS+  38 - HA    GLN   30  13.22 +/- 0.40   0.007% *  0.0924% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLN   30  18.46 +/- 4.61   0.007% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   30  17.44 +/- 0.87   0.001% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLN   30  18.22 +/- 1.58   0.001% *  0.0367% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   30  24.31 +/- 1.35   0.000% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   30  24.87 +/- 1.07   0.000% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   30  25.58 +/- 1.63   0.000% *  0.0816% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   30  19.90 +/- 1.15   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   30  25.14 +/- 1.35   0.000% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   30  26.46 +/- 2.86   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 211 (2.73, 3.84, 58.37 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.64, residual support = 156.0:
    * O T HG2   GLN   30 - HA    GLN   30   3.31 +/- 0.42  99.135% * 99.8053% (1.00  10.0 10.00   5.64 156.00) =  99.999%  kept
          HB3   ASN   28 - HA    GLN   30   7.54 +/- 0.15   0.861% *  0.0921% (0.92   1.0  1.00   0.02   8.35) =   0.001%
          QE    LYS+ 121 - HA    GLN   30  22.35 +/- 2.91   0.002% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    GLN   30  20.76 +/- 2.89   0.003% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.02 A, kept.
 
    Peak 212 (3.84, 2.04, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.96, residual support = 156.0:
    * O T HA    GLN   30 - HB2   GLN   30   2.78 +/- 0.13  99.660% * 99.6678% (1.00  10.0 10.00   4.96 156.00) = 100.000%  kept
          HB    THR   39 - HB2   GLN   30   7.99 +/- 0.99   0.232% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   GLN   30   9.26 +/- 0.95   0.087% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   GLN   30  14.69 +/- 2.21   0.007% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   GLN   30  14.36 +/- 3.13   0.012% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLN   30  21.39 +/- 1.29   0.001% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   GLN   30  19.22 +/- 2.32   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   GLN   30  25.74 +/- 1.81   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   GLN   30  22.79 +/- 1.68   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 213 (2.04, 2.04, 28.09 ppm):
    1 diagonal assignment:
    *     HB2   GLN   30 - HB2   GLN   30  (1.00)  kept
 
    Peak 214 (1.89, 2.04, 28.09 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.19, residual support = 156.0:
    * O T HB3   GLN   30 - HB2   GLN   30   1.75 +/- 0.00  99.759% * 98.9590% (1.00  10.0 10.00   4.19 156.00) = 100.000%  kept
          QB    LYS+  33 - HB2   GLN   30   5.05 +/- 0.67   0.240% *  0.0247% (0.25   1.0  1.00   0.02   0.17) =   0.000%
        T QB    LYS+ 106 - HB2   GLN   30  15.36 +/- 0.93   0.000% *  0.4068% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   GLN   30  13.55 +/- 0.87   0.001% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   30  16.83 +/- 1.74   0.000% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   GLN   30  19.66 +/- 4.26   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB2   GLN   30  24.06 +/- 2.81   0.000% *  0.1527% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   30  21.80 +/- 1.35   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   30  22.27 +/- 1.09   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   30  17.88 +/- 1.35   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   30  23.38 +/- 1.73   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   GLN   30  22.83 +/- 1.35   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 215 (2.73, 2.04, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.72, residual support = 156.0:
    * O T HG2   GLN   30 - HB2   GLN   30   2.64 +/- 0.27  99.814% * 99.8053% (1.00  10.0 10.00   5.72 156.00) = 100.000%  kept
          HB3   ASN   28 - HB2   GLN   30   7.58 +/- 0.68   0.184% *  0.0921% (0.92   1.0  1.00   0.02   8.35) =   0.000%
          QE    LYS+ 121 - HB2   GLN   30  20.70 +/- 2.74   0.001% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   GLN   30  18.95 +/- 2.90   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 216 (3.84, 1.89, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.2, residual support = 156.0:
    * O T HA    GLN   30 - HB3   GLN   30   2.90 +/- 0.17  99.692% * 99.5115% (1.00  10.0 10.00   5.20 156.00) = 100.000%  kept
          HB    THR   39 - HB3   GLN   30   8.48 +/- 1.03   0.199% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB3   GLN   30   9.71 +/- 0.83   0.078% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   GLN   30  14.15 +/- 2.18   0.013% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB3   GLN   30  14.60 +/- 3.03   0.015% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   GLN   30  22.93 +/- 1.49   0.000% *  0.1743% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLN   30  21.33 +/- 1.35   0.001% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB3   GLN   30  18.89 +/- 2.45   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB3   GLN   30  25.65 +/- 1.80   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 217 (2.04, 1.89, 28.09 ppm):
    11 chemical-shift based assignments, quality = 0.993, support = 4.23, residual support = 156.0:
    * O T HB2   GLN   30 - HB3   GLN   30   1.75 +/- 0.00  93.976% * 53.1733% (1.00  10.0 10.00   4.19 156.00) =  94.734%  kept
      O   HG3   GLN   30 - HB3   GLN   30   2.80 +/- 0.16   6.023% * 46.1240% (0.87  10.0  1.00   5.02 156.00) =   5.266%  kept
          HB3   GLU- 100 - HB3   GLN   30  15.11 +/- 1.75   0.000% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLN   30  25.26 +/- 2.71   0.000% *  0.4612% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   GLN   30  12.89 +/- 1.41   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   GLN   30  14.51 +/- 0.65   0.000% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   GLN   30  17.53 +/- 1.28   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLN   30  18.49 +/- 1.70   0.000% *  0.0301% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLN   30  20.88 +/- 1.27   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   30  22.91 +/- 1.11   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   30  26.26 +/- 2.35   0.000% *  0.0118% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 218 (1.89, 1.89, 28.09 ppm):
    1 diagonal assignment:
    *     HB3   GLN   30 - HB3   GLN   30  (1.00)  kept
 
    Peak 219 (2.73, 1.89, 28.09 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.82, residual support = 156.0:
    * O T HG2   GLN   30 - HB3   GLN   30   2.54 +/- 0.30  99.769% * 99.8053% (1.00  10.0 10.00   5.82 156.00) = 100.000%  kept
          HB3   ASN   28 - HB3   GLN   30   7.15 +/- 0.64   0.229% *  0.0921% (0.92   1.0  1.00   0.02   8.35) =   0.000%
          QE    LYS+ 121 - HB3   GLN   30  20.95 +/- 2.74   0.001% *  0.0686% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB3   GLN   30  19.33 +/- 2.83   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 220 (3.84, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.64, residual support = 156.0:
    * O T HA    GLN   30 - HG2   GLN   30   3.31 +/- 0.42  99.501% * 99.6678% (1.00  10.0 10.00   5.64 156.00) = 100.000%  kept
          HB    THR   39 - HG2   GLN   30   9.46 +/- 0.79   0.273% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG2   GLN   30  13.42 +/- 2.91   0.070% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG2   GLN   30  10.49 +/- 0.74   0.124% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG2   GLN   30  14.55 +/- 1.96   0.024% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLN   30  21.25 +/- 1.65   0.002% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG2   GLN   30  25.68 +/- 2.07   0.001% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG2   GLN   30  19.68 +/- 2.37   0.004% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLN   30  22.82 +/- 1.49   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 221 (2.04, 2.73, 33.78 ppm):
    11 chemical-shift based assignments, quality = 0.882, support = 6.12, residual support = 156.0:
      O T HG3   GLN   30 - HG2   GLN   30   1.75 +/- 0.00  90.509% * 46.1414% (0.87  10.0 10.00   6.17 156.00) =  89.217%  kept
    * O T HB2   GLN   30 - HG2   GLN   30   2.64 +/- 0.27   9.489% * 53.1933% (1.00  10.0 10.00   5.72 156.00) =  10.783%  kept
        T HB2   PRO   93 - HG2   GLN   30  18.77 +/- 1.73   0.000% *  0.3012% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLN   30  12.19 +/- 1.36   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   GLN   30  16.89 +/- 1.73   0.000% *  0.0527% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLN   30  13.36 +/- 0.93   0.001% *  0.0093% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLN   30  17.46 +/- 1.74   0.000% *  0.0259% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLN   30  22.01 +/- 1.55   0.000% *  0.0491% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   GLN   30  27.00 +/- 2.31   0.000% *  0.1184% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLN   30  23.52 +/- 1.38   0.000% *  0.0532% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLN   30  25.00 +/- 2.99   0.000% *  0.0461% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 222 (1.89, 2.73, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.82, residual support = 156.0:
    * O T HB3   GLN   30 - HG2   GLN   30   2.54 +/- 0.30  98.893% * 99.4599% (1.00  10.0 10.00   5.82 156.00) = 100.000%  kept
          QB    LYS+  33 - HG2   GLN   30   5.83 +/- 0.60   1.092% *  0.0248% (0.25   1.0  1.00   0.02   0.17) =   0.000%
          HB3   LYS+  38 - HG2   GLN   30  15.35 +/- 0.57   0.003% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   GLN   30  18.40 +/- 4.31   0.007% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   GLN   30  16.37 +/- 1.40   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   GLN   30  16.66 +/- 1.16   0.002% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   GLN   30  22.75 +/- 1.06   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   GLN   30  22.14 +/- 1.53   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   GLN   30  23.42 +/- 1.56   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   GLN   30  19.42 +/- 1.51   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   GLN   30  23.04 +/- 1.44   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   GLN   30  23.75 +/- 3.10   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 223 (2.73, 2.73, 33.78 ppm):
    1 diagonal assignment:
    *     HG2   GLN   30 - HG2   GLN   30  (1.00)  kept
 
    Peak 224 (3.61, 3.61, 58.19 ppm):
    1 diagonal assignment:
    *     HA    LEU   31 - HA    LEU   31  (1.00)  kept
 
    Peak 225 (1.33, 3.61, 58.19 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.8:
    * O T HB2   LEU   31 - HA    LEU   31   3.01 +/- 0.01  99.501% * 99.2507% (1.00  10.0 10.00   6.00 231.79) = 100.000%  kept
          HG    LEU   98 - HA    LEU   31   8.31 +/- 1.04   0.349% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   31  10.03 +/- 0.42   0.076% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   31  11.17 +/- 0.76   0.043% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LEU   31  14.25 +/- 0.75   0.010% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   31  15.36 +/- 2.54   0.007% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LEU   31  16.89 +/- 1.06   0.003% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   31  16.19 +/- 1.19   0.005% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   31  19.89 +/- 3.62   0.002% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   31  17.85 +/- 1.62   0.003% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   31  19.85 +/- 1.38   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   31  26.92 +/- 2.16   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.12 A, kept.
 
    Peak 226 (1.12, 3.61, 58.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.8:
    * O T HB3   LEU   31 - HA    LEU   31   2.46 +/- 0.08  99.940% * 99.6763% (1.00  10.0 10.00   6.00 231.79) = 100.000%  kept
          QG1   VAL   24 - HA    LEU   31   9.10 +/- 1.05   0.050% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LEU   31  12.18 +/- 0.35   0.007% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LEU   31  21.14 +/- 1.67   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    LEU   31  16.41 +/- 0.81   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LEU   31  16.97 +/- 0.99   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    LEU   31  20.88 +/- 2.93   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    LEU   31  27.48 +/- 2.44   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 227 (0.79, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.94, residual support = 231.7:
    * O T HG    LEU   31 - HA    LEU   31   3.36 +/- 0.34  66.683% * 99.6594% (0.80  10.0 10.00   5.94 231.79) =  99.980%  kept
          QG1   VAL   41 - HA    LEU   31   3.94 +/- 0.53  29.739% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.014%
          QD2   LEU   73 - HA    LEU   31   5.96 +/- 0.80   3.573% *  0.1149% (0.92   1.0  1.00   0.02   3.33) =   0.006%
          QD1   ILE   56 - HA    LEU   31  18.62 +/- 1.40   0.003% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    LEU   31  20.34 +/- 2.86   0.002% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.13 A, kept.
 
    Peak 228 (0.00, 3.61, 58.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 231.8:
    *   T QD1   LEU   31 - HA    LEU   31   3.59 +/- 0.10 100.000% *100.0000% (1.00 10.00   4.85 231.79) = 100.000%  kept
    Distance limit 3.33 A violated in 0 structures by 0.26 A, kept.
 
    Peak 229 (0.07, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.73, residual support = 231.8:
    *   T QD2   LEU   31 - HA    LEU   31   2.06 +/- 0.43  99.831% * 99.6345% (1.00 10.00   5.73 231.79) = 100.000%  kept
        T QG2   VAL   43 - HA    LEU   31   7.79 +/- 1.14   0.153% *  0.2484% (0.25 10.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HA    LEU   31  11.64 +/- 1.45   0.013% *  0.0723% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HA    LEU   31  14.27 +/- 2.14   0.003% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.04 A, kept.
 
    Peak 230 (3.61, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 231.8:
    * O T HA    LEU   31 - HB2   LEU   31   3.01 +/- 0.01 100.000% *100.0000% (1.00  10.0 10.00   6.00 231.79) = 100.000%  kept
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 231 (1.33, 1.33, 40.94 ppm):
    1 diagonal assignment:
    *     HB2   LEU   31 - HB2   LEU   31  (1.00)  kept
 
    Peak 232 (1.12, 1.33, 40.94 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.8:
    * O T HB3   LEU   31 - HB2   LEU   31   1.75 +/- 0.00  99.979% * 99.6763% (1.00  10.0 10.00   6.00 231.79) = 100.000%  kept
          QG1   VAL   24 - HB2   LEU   31   7.70 +/- 1.12   0.020% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LEU   31  12.84 +/- 0.35   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LEU   31  23.11 +/- 1.68   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   LEU   31  17.59 +/- 0.80   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HB2   LEU   31  17.93 +/- 1.03   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB2   LEU   31  22.79 +/- 2.76   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   LEU   31  28.90 +/- 2.43   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 233 (0.79, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.97, residual support = 231.8:
    * O T HG    LEU   31 - HB2   LEU   31   2.45 +/- 0.28  98.922% * 99.6594% (0.80  10.0 10.00   5.97 231.79) =  99.999%  kept
          QG1   VAL   41 - HB2   LEU   31   5.68 +/- 0.51   0.869% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HB2   LEU   31   7.39 +/- 0.77   0.208% *  0.1149% (0.92   1.0  1.00   0.02   3.33) =   0.000%
          QD1   ILE   56 - HB2   LEU   31  19.73 +/- 1.39   0.001% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB2   LEU   31  22.15 +/- 2.69   0.000% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 234 (0.00, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.87, residual support = 231.8:
    * O T QD1   LEU   31 - HB2   LEU   31   2.55 +/- 0.23 100.000% *100.0000% (1.00  10.0 10.00   4.87 231.79) = 100.000%  kept
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 235 (0.07, 1.33, 40.94 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.8:
    * O T QD2   LEU   31 - HB2   LEU   31   3.01 +/- 0.29  99.406% * 99.6345% (1.00  10.0 10.00   5.76 231.79) =  99.999%  kept
        T QG2   VAL   43 - HB2   LEU   31   8.00 +/- 1.04   0.502% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HB2   LEU   31  10.83 +/- 1.56   0.074% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB2   LEU   31  13.64 +/- 2.10   0.019% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 236 (3.61, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 231.8:
    * O T HA    LEU   31 - HB3   LEU   31   2.46 +/- 0.08 100.000% *100.0000% (1.00  10.0 10.00   6.00 231.79) = 100.000%  kept
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 237 (1.33, 1.12, 40.94 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.8:
    * O T HB2   LEU   31 - HB3   LEU   31   1.75 +/- 0.00  99.979% * 99.2507% (1.00  10.0 10.00   6.00 231.79) = 100.000%  kept
          HG    LEU   98 - HB3   LEU   31   7.97 +/- 0.93   0.016% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   31  10.68 +/- 0.68   0.002% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   31  11.70 +/- 0.91   0.001% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   31  15.04 +/- 2.79   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LEU   31  14.95 +/- 0.91   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   31  15.63 +/- 1.53   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LEU   31  18.24 +/- 1.13   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   31  16.80 +/- 1.80   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   31  21.00 +/- 3.54   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   31  20.21 +/- 1.50   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   31  26.94 +/- 2.29   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 238 (1.12, 1.12, 40.94 ppm):
    1 diagonal assignment:
    *     HB3   LEU   31 - HB3   LEU   31  (1.00)  kept
 
    Peak 239 (0.79, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.96, residual support = 231.8:
    * O T HG    LEU   31 - HB3   LEU   31   2.79 +/- 0.28  91.053% * 98.0242% (0.80  10.0 10.00   5.97 231.79) =  99.993%  kept
        T QD2   LEU   73 - HB3   LEU   31   7.40 +/- 0.74   0.332% *  1.1301% (0.92   1.0 10.00   0.02   3.33) =   0.004%
          QG1   VAL   41 - HB3   LEU   31   4.39 +/- 0.58   8.613% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.003%
        T HG3   LYS+ 121 - HB3   LEU   31  20.73 +/- 2.79   0.001% *  0.6931% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LEU   31  19.18 +/- 1.41   0.001% *  0.1221% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 240 (0.00, 1.12, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.87, residual support = 231.8:
    * O T QD1   LEU   31 - HB3   LEU   31   2.23 +/- 0.36 100.000% *100.0000% (1.00  10.0 10.00   4.87 231.79) = 100.000%  kept
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 241 (0.07, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.8:
    * O T QD2   LEU   31 - HB3   LEU   31   2.81 +/- 0.16  99.549% * 99.6345% (1.00  10.0 10.00   5.76 231.79) =  99.999%  kept
        T QG2   VAL   43 - HB3   LEU   31   7.79 +/- 1.19   0.402% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HB3   LEU   31  11.18 +/- 1.72   0.038% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB3   LEU   31  13.65 +/- 2.08   0.012% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 242 (3.61, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.94, residual support = 231.8:
    * O T HA    LEU   31 - HG    LEU   31   3.36 +/- 0.34 100.000% *100.0000% (0.80  10.0 10.00   5.94 231.79) = 100.000%  kept
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 243 (1.33, 0.79, 27.16 ppm):
    12 chemical-shift based assignments, quality = 0.801, support = 5.97, residual support = 231.8:
    * O T HB2   LEU   31 - HG    LEU   31   2.45 +/- 0.28  99.805% * 99.2507% (0.80  10.0 10.00   5.97 231.79) = 100.000%  kept
          HG    LEU   98 - HG    LEU   31   8.29 +/- 1.07   0.154% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   31  12.61 +/- 3.05   0.009% *  0.0958% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   31  13.20 +/- 1.01   0.007% *  0.0829% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG    LEU   31  13.10 +/- 0.90   0.007% *  0.0795% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   31  12.91 +/- 0.80   0.008% *  0.0721% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   31  13.75 +/- 1.50   0.004% *  0.0408% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG    LEU   31  17.28 +/- 1.16   0.001% *  0.0890% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   31  15.43 +/- 1.60   0.003% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   31  18.39 +/- 1.47   0.001% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   31  21.39 +/- 3.38   0.000% *  0.0642% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   31  25.76 +/- 2.30   0.000% *  0.0984% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (1.12, 0.79, 27.16 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.97, residual support = 231.8:
    * O T HB3   LEU   31 - HG    LEU   31   2.79 +/- 0.28  98.642% * 99.4283% (0.80  10.0 10.00   5.97 231.79) =  99.999%  kept
          QG1   VAL   24 - HG    LEU   31   6.58 +/- 1.22   1.326% *  0.0446% (0.36   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HG    LEU   31  11.66 +/- 0.66   0.024% *  0.0643% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HG    LEU   31  21.51 +/- 2.69   0.001% *  0.2764% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG    LEU   31  21.33 +/- 1.70   0.001% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HG    LEU   31  16.03 +/- 0.80   0.003% *  0.0174% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG    LEU   31  16.26 +/- 0.96   0.003% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG    LEU   31  26.87 +/- 2.34   0.000% *  0.0563% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 245 (0.79, 0.79, 27.16 ppm):
    1 diagonal assignment:
    *     HG    LEU   31 - HG    LEU   31  (0.64)  kept
 
    Peak 246 (0.00, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.94, residual support = 231.8:
    * O T QD1   LEU   31 - HG    LEU   31   2.10 +/- 0.01 100.000% *100.0000% (0.80  10.0 10.00   4.94 231.79) = 100.000%  kept
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 247 (0.07, 0.79, 27.16 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.84, residual support = 231.8:
    * O T QD2   LEU   31 - HG    LEU   31   2.12 +/- 0.01  99.649% * 99.6345% (0.80  10.0 10.00   5.84 231.79) =  99.999%  kept
        T QG2   VAL   43 - HG    LEU   31   6.20 +/- 1.07   0.323% *  0.2484% (0.20   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HG    LEU   31   9.31 +/- 1.79   0.023% *  0.0723% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - HG    LEU   31  12.11 +/- 2.19   0.005% *  0.0447% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 248 (3.61, 0.00, 23.44 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.85, residual support = 231.8:
    *   T HA    LEU   31 - QD1   LEU   31   3.59 +/- 0.10 100.000% *100.0000% (1.00 10.00   4.85 231.79) = 100.000%  kept
    Distance limit 3.73 A violated in 0 structures by 0.01 A, kept.
 
    Peak 249 (1.33, 0.00, 23.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 231.8:
    * O T HB2   LEU   31 - QD1   LEU   31   2.55 +/- 0.23  98.514% * 99.2507% (1.00  10.0 10.00   4.87 231.79) =  99.999%  kept
          HG    LEU   98 - QD1   LEU   31   6.10 +/- 1.23   1.339% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   80 - QD1   LEU   31  10.51 +/- 2.48   0.034% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   31  10.61 +/- 1.17   0.030% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   31  10.78 +/- 0.72   0.023% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU   31  10.89 +/- 0.87   0.021% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   31  11.21 +/- 1.33   0.019% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   31  12.21 +/- 1.37   0.012% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD1   LEU   31  14.45 +/- 1.00   0.004% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   31  15.06 +/- 1.27   0.003% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   31  17.69 +/- 2.70   0.002% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   31  20.87 +/- 2.13   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 250 (1.12, 0.00, 23.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 231.8:
    * O T HB3   LEU   31 - QD1   LEU   31   2.23 +/- 0.36  98.622% * 99.6763% (1.00  10.0 10.00   4.87 231.79) =  99.999%  kept
          QG1   VAL   24 - QD1   LEU   31   5.45 +/- 1.06   1.346% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - QD1   LEU   31  10.48 +/- 0.73   0.024% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD1   LEU   31  17.55 +/- 1.31   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD1   LEU   31  12.94 +/- 0.87   0.003% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   LEU   31  13.14 +/- 1.01   0.003% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   LEU   31  17.39 +/- 2.30   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   LEU   31  22.12 +/- 2.03   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (0.79, 0.00, 23.44 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.94, residual support = 231.8:
    * O T HG    LEU   31 - QD1   LEU   31   2.10 +/- 0.01  96.674% * 99.6594% (0.80  10.0 10.00   4.94 231.79) =  99.999%  kept
          QG1   VAL   41 - QD1   LEU   31   4.17 +/- 0.84   2.930% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - QD1   LEU   31   5.72 +/- 0.89   0.395% *  0.1149% (0.92   1.0  1.00   0.02   3.33) =   0.000%
          QD1   ILE   56 - QD1   LEU   31  14.76 +/- 1.14   0.001% *  0.1242% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD1   LEU   31  16.79 +/- 2.23   0.000% *  0.0705% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 252 (0.00, 0.00, 23.44 ppm):
    1 diagonal assignment:
    *     QD1   LEU   31 - QD1   LEU   31  (1.00)  kept
 
    Peak 253 (0.07, 0.00, 23.44 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 231.8:
    * O T QD2   LEU   31 - QD1   LEU   31   2.07 +/- 0.04  97.118% * 99.6345% (1.00  10.0 10.00   4.62 231.79) =  99.993%  kept
        T QG2   VAL   43 - QD1   LEU   31   4.87 +/- 1.02   2.786% *  0.2484% (0.25   1.0 10.00   0.02   0.02) =   0.007%
          QG2   VAL   83 - QD1   LEU   31   7.48 +/- 1.52   0.080% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   89 - QD1   LEU   31   9.57 +/- 1.67   0.016% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 254 (3.61, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.73, residual support = 231.8:
    *   T HA    LEU   31 - QD2   LEU   31   2.06 +/- 0.43  99.847% * 99.9324% (1.00 10.00   5.73 231.79) = 100.000%  kept
        T HA    LEU   31 - QG2   VAL   43   7.79 +/- 1.14   0.153% *  0.0676% (0.07 10.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.03 A, kept.
 
    Peak 255 (1.33, 0.07, 21.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.8:
    * O T HB2   LEU   31 - QD2   LEU   31   3.01 +/- 0.29  90.136% * 98.7715% (1.00  10.0 10.00   5.76 231.79) =  99.997%  kept
          HG    LEU   98 - QD2   LEU   31   6.31 +/- 1.03   2.553% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU   31 - QG2   VAL   43   8.00 +/- 1.04   0.457% *  0.0668% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QG2   VAL   43   5.47 +/- 0.65   3.393% *  0.0054% (0.05   1.0  1.00   0.02  15.89) =   0.000%
        T QB    ALA   84 - QD2   LEU   31  11.74 +/- 1.01   0.031% *  0.4061% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD2   LEU   31  10.05 +/- 0.95   0.092% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD2   LEU   31   9.99 +/- 0.74   0.083% *  0.0791% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD2   LEU   31  10.74 +/- 2.18   0.068% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QG2   VAL   43   6.61 +/- 1.38   1.743% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD2   LEU   31  10.12 +/- 0.61   0.078% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QG2   VAL   43   8.04 +/- 2.35   0.643% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD2   LEU   31  13.05 +/- 1.10   0.018% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QG2   VAL   43   8.46 +/- 0.86   0.240% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   31  13.26 +/- 1.29   0.015% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QG2   VAL   43   9.24 +/- 1.25   0.197% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QG2   VAL   43  10.44 +/- 1.07   0.069% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   31  16.65 +/- 3.00   0.006% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   43   9.71 +/- 1.27   0.126% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   31  14.58 +/- 1.13   0.008% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   VAL   43  12.41 +/- 1.04   0.024% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   31  20.82 +/- 1.74   0.001% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   VAL   43  14.73 +/- 1.05   0.008% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QG2   VAL   43  15.85 +/- 1.86   0.005% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   VAL   43  16.53 +/- 1.97   0.005% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 256 (1.12, 0.07, 21.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.8:
    * O T HB3   LEU   31 - QD2   LEU   31   2.81 +/- 0.16  90.810% * 99.5873% (1.00  10.0 10.00   5.76 231.79) =  99.998%  kept
          QG1   VAL   24 - QD2   LEU   31   6.02 +/- 1.16   3.180% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.002%
        T HB3   LEU   31 - QG2   VAL   43   7.79 +/- 1.19   0.360% *  0.0674% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   VAL   43   5.45 +/- 1.16   4.998% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD2   LEU   31   9.08 +/- 0.44   0.083% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   43   8.53 +/- 0.91   0.145% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   31  16.54 +/- 1.61   0.003% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   43   8.94 +/- 1.23   0.254% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD2   LEU   31  12.59 +/- 0.82   0.012% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   31  12.85 +/- 0.95   0.011% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QG2   VAL   43   9.26 +/- 1.11   0.123% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD2   LEU   31  16.92 +/- 2.48   0.003% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   43  13.32 +/- 1.27   0.009% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD2   LEU   31  21.42 +/- 2.22   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   VAL   43  16.91 +/- 2.23   0.004% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   43  15.14 +/- 1.95   0.005% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 257 (0.79, 0.07, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.84, residual support = 231.8:
    * O T HG    LEU   31 - QD2   LEU   31   2.12 +/- 0.01  76.422% * 99.5693% (0.80  10.0 10.00   5.84 231.79) =  99.990%  kept
          QG1   VAL   41 - QD2   LEU   31   3.53 +/- 0.87  11.748% *  0.0310% (0.25   1.0  1.00   0.02   0.02) =   0.005%
          QD2   LEU   73 - QD2   LEU   31   4.02 +/- 0.76   3.012% *  0.1148% (0.92   1.0  1.00   0.02   3.33) =   0.005%
          QD2   LEU   73 - QG2   VAL   43   4.91 +/- 1.45   8.332% *  0.0078% (0.06   1.0  1.00   0.02   8.20) =   0.001%
        T HG    LEU   31 - QG2   VAL   43   6.20 +/- 1.07   0.216% *  0.0674% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   6.32 +/- 0.98   0.259% *  0.0021% (0.02   1.0  1.00   0.02   1.82) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  14.18 +/- 1.19   0.001% *  0.1241% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.33 +/- 1.16   0.008% *  0.0084% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD2   LEU   31  16.39 +/- 2.36   0.001% *  0.0704% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   VAL   43  14.44 +/- 2.02   0.001% *  0.0048% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 258 (0.00, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 231.8:
    * O T QD1   LEU   31 - QD2   LEU   31   2.07 +/- 0.04  97.212% * 99.9324% (1.00  10.0 10.00   4.62 231.79) =  99.998%  kept
        T QD1   LEU   31 - QG2   VAL   43   4.87 +/- 1.02   2.788% *  0.0676% (0.07   1.0 10.00   0.02   0.02) =   0.002%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 259 (0.07, 0.07, 21.81 ppm):
    2 diagonal assignments:
    *     QD2   LEU   31 - QD2   LEU   31  (1.00)  kept
          QG2   VAL   43 - QG2   VAL   43  (0.02)  kept
 
    Peak 260 (4.00, 4.00, 59.42 ppm):
    3 diagonal assignments:
          HA    LYS+  33 - HA    LYS+  33  (0.54)  kept
    *     HA    GLN   32 - HA    GLN   32  (0.47)  kept
          HA    GLU-  29 - HA    GLU-  29  (0.40)  kept
 
    Peak 261 (2.11, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.686, support = 3.02, residual support = 42.4:
    * O T QB    GLN   32 - HA    GLN   32   2.46 +/- 0.08  67.846% * 48.6885% (0.69  10.0 10.00   2.96  44.21) =  94.620%  kept
        T QB    GLN   32 - HA    LYS+  33   4.05 +/- 0.18   3.568% * 50.1038% (0.71   1.0 10.00   4.38  11.36) =   5.121%  kept
        T QB    GLN   32 - HA    GLU-  29   2.89 +/- 0.28  28.549% *  0.3169% (0.45   1.0 10.00   0.02   0.02) =   0.259%
          HG3   GLU- 100 - HA    GLN   32  11.79 +/- 1.91   0.011% *  0.0390% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    LYS+  33  11.87 +/- 1.82   0.008% *  0.0401% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    GLU-  29  10.65 +/- 0.35   0.010% *  0.0314% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    GLN   32  14.05 +/- 0.36   0.002% *  0.0483% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    LYS+  33  16.43 +/- 0.24   0.001% *  0.0497% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    LYS+  33  17.60 +/- 1.68   0.001% *  0.0463% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  29  16.47 +/- 1.73   0.001% *  0.0254% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    LYS+  33  15.62 +/- 2.40   0.002% *  0.0077% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLN   32  20.40 +/- 1.27   0.000% *  0.0449% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  29  21.92 +/- 1.36   0.000% *  0.0293% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLU-  29  17.59 +/- 2.33   0.001% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLN   32  19.01 +/- 2.30   0.000% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    LYS+  33  28.88 +/- 1.59   0.000% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLN   32  29.21 +/- 1.56   0.000% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLN   32  30.92 +/- 2.32   0.000% *  0.0964% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLU-  29  29.07 +/- 1.39   0.000% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    LYS+  33  32.05 +/- 2.47   0.000% *  0.0992% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLU-  29  29.80 +/- 1.93   0.000% *  0.0627% (0.09   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 262 (2.39, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.687, support = 3.01, residual support = 43.0:
    * O T QG    GLN   32 - HA    GLN   32   2.28 +/- 0.16  92.394% * 48.7402% (0.69  10.0 10.00   2.96  44.21) =  96.353%  kept
        T QG    GLN   32 - HA    LYS+  33   4.58 +/- 0.71   3.372% * 50.1570% (0.71   1.0 10.00   4.38  11.36) =   3.619%  kept
        T QG    GLN   32 - HA    GLU-  29   4.49 +/- 0.71   4.221% *  0.3172% (0.45   1.0 10.00   0.02   0.02) =   0.029%
        T HB2   GLU- 100 - HA    GLN   32  12.26 +/- 1.50   0.005% *  0.1355% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    LYS+  33  13.04 +/- 1.46   0.003% *  0.1395% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLU-  29  17.08 +/- 1.49   0.001% *  0.0882% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU-  29  14.95 +/- 1.35   0.001% *  0.0275% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN   32  18.63 +/- 1.36   0.000% *  0.0423% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  33  19.66 +/- 1.14   0.000% *  0.0435% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  23.03 +/- 0.78   0.000% *  0.0296% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.85 +/- 0.88   0.000% *  0.0304% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  20.34 +/- 1.27   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  19.09 +/- 1.09   0.000% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    LYS+  33  30.74 +/- 1.15   0.000% *  0.0993% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.89 +/- 0.88   0.000% *  0.0192% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  22.00 +/- 1.08   0.000% *  0.0112% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    GLU-  29  31.78 +/- 0.95   0.000% *  0.0628% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  28.28 +/- 2.94   0.000% *  0.0112% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  28.20 +/- 2.54   0.000% *  0.0109% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  28.25 +/- 2.79   0.000% *  0.0071% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLN   32  30.66 +/- 0.85   0.000% *  0.0096% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 263 (4.00, 2.11, 27.95 ppm):
    10 chemical-shift based assignments, quality = 0.692, support = 3.02, residual support = 42.2:
    * O T HA    GLN   32 - QB    GLN   32   2.46 +/- 0.08  67.869% * 46.7473% (0.69  10.0 10.00   2.96  44.21) =  93.984%  kept
        T HA    LYS+  33 - QB    GLN   32   4.05 +/- 0.18   3.569% * 52.0093% (0.76   1.0 10.00   4.38  11.36) =   5.499%  kept
        T HA    GLU-  29 - QB    GLN   32   2.89 +/- 0.28  28.556% *  0.6103% (0.90   1.0 10.00   0.02   0.02) =   0.516%  kept
          HB2   SER   82 - QB    GLN   32  15.27 +/- 2.45   0.002% *  0.0657% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    GLN   32  13.45 +/- 0.85   0.003% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    GLN   32  15.55 +/- 0.64   0.001% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    GLN   32  26.97 +/- 1.35   0.000% *  0.3313% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    GLN   32  20.92 +/- 1.85   0.000% *  0.0494% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    GLN   32  24.01 +/- 1.78   0.000% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    GLN   32  26.49 +/- 0.89   0.000% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 264 (2.11, 2.11, 27.95 ppm):
    1 diagonal assignment:
    *     QB    GLN   32 - QB    GLN   32  (1.00)  kept
 
    Peak 265 (2.39, 2.11, 27.95 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 44.2:
    * O T QG    GLN   32 - QB    GLN   32   2.12 +/- 0.02  99.997% * 99.7611% (1.00  10.0 10.00   3.00  44.21) = 100.000%  kept
          QG    GLU-  79 - QB    GLN   32  15.61 +/- 1.25   0.001% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QB    GLN   32  13.16 +/- 1.33   0.002% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLN   32  18.39 +/- 1.04   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLN   32  21.58 +/- 0.66   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLN   32  25.76 +/- 2.40   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QB    GLN   32  28.43 +/- 0.74   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 266 (4.00, 2.39, 33.78 ppm):
    10 chemical-shift based assignments, quality = 0.69, support = 3.01, residual support = 42.9:
    * O T HA    GLN   32 - QG    GLN   32   2.28 +/- 0.16  92.402% * 46.7583% (0.69  10.0 10.00   2.96  44.21) =  96.043%  kept
        T HA    LYS+  33 - QG    GLN   32   4.58 +/- 0.71   3.373% * 52.0216% (0.76   1.0 10.00   4.38  11.36) =   3.900%  kept
        T HA    GLU-  29 - QG    GLN   32   4.49 +/- 0.71   4.222% *  0.6105% (0.90   1.0 10.00   0.02   0.02) =   0.057%
          HB2   SER   82 - QG    GLN   32  16.26 +/- 2.68   0.001% *  0.0657% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    GLN   32  14.21 +/- 0.92   0.002% *  0.0305% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    GLN   32  17.01 +/- 0.81   0.001% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN  116 - QG    GLN   32  27.32 +/- 1.17   0.000% *  0.3052% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QG    GLN   32  21.69 +/- 2.01   0.000% *  0.0494% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QG    GLN   32  25.35 +/- 1.89   0.000% *  0.0628% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG    GLN   32  28.16 +/- 1.55   0.000% *  0.0331% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 267 (2.11, 2.39, 33.78 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 44.2:
    * O T QB    GLN   32 - QG    GLN   32   2.12 +/- 0.02  99.993% * 99.6746% (1.00  10.0 10.00   3.00  44.21) = 100.000%  kept
          HG3   GLU- 100 - QG    GLN   32  12.32 +/- 1.74   0.004% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QG    GLN   32  12.98 +/- 0.95   0.002% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLN   32  19.65 +/- 1.35   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG    GLN   32  17.54 +/- 2.14   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLN   32  27.74 +/- 1.49   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLN   32  29.00 +/- 2.00   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 268 (2.39, 2.39, 33.78 ppm):
    1 diagonal assignment:
    *     QG    GLN   32 - QG    GLN   32  (1.00)  kept
 
    Peak 269 (4.01, 4.01, 59.34 ppm):
    3 diagonal assignments:
    *     HA    LYS+  33 - HA    LYS+  33  (1.00)  kept
          HA    GLU-  29 - HA    GLU-  29  (0.27)  kept
          HA    GLN   32 - HA    GLN   32  (0.07)  kept
 
    Peak 270 (1.86, 4.01, 59.34 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 148.4:
    * O T QB    LYS+  33 - HA    LYS+  33   2.20 +/- 0.03  98.791% * 96.5845% (1.00  10.0 10.00   6.19 148.41) =  99.998%  kept
        T QB    LYS+  33 - HA    GLN   32   5.41 +/- 0.22   0.452% *  0.2484% (0.26   1.0 10.00   0.02  11.36) =   0.001%
        T QB    LYS+  33 - HA    GLU-  29   6.01 +/- 0.82   0.339% *  0.2697% (0.28   1.0 10.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HA    GLU-  29   5.92 +/- 0.41   0.285% *  0.0067% (0.07   1.0  1.00   0.02  19.58) =   0.000%
          HB3   GLN   30 - HA    LYS+  33   7.79 +/- 0.37   0.052% *  0.0241% (0.25   1.0  1.00   0.02   0.17) =   0.000%
          HB3   LYS+  38 - HA    LYS+  33   9.72 +/- 0.17   0.013% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   32   7.64 +/- 0.19   0.057% *  0.0062% (0.06   1.0  1.00   0.02   1.61) =   0.000%
        T QB    LYS+  81 - HA    GLU-  29  17.15 +/- 1.89   0.001% *  0.2602% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LYS+  33  22.52 +/- 1.75   0.000% *  0.9321% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   32  11.03 +/- 0.23   0.006% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    GLN   32  20.34 +/- 2.28   0.000% *  0.2397% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+  33  18.37 +/- 1.33   0.000% *  0.0892% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  33  18.79 +/- 0.70   0.000% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  33  19.38 +/- 0.81   0.000% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   32  16.39 +/- 0.94   0.001% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  33  21.04 +/- 1.02   0.000% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   32  17.81 +/- 0.86   0.000% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLU-  29  15.64 +/- 0.29   0.001% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU-  29  19.14 +/- 0.99   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU-  29  19.34 +/- 1.24   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   32  20.34 +/- 1.05   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   32  20.85 +/- 1.37   0.000% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  33  31.42 +/- 2.03   0.000% *  0.2408% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU-  29  22.67 +/- 1.15   0.000% *  0.0264% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU-  29  22.49 +/- 1.17   0.000% *  0.0249% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  33  29.51 +/- 1.41   0.000% *  0.0957% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+  33  30.81 +/- 2.68   0.000% *  0.0932% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  33  27.80 +/- 1.56   0.000% *  0.0547% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU-  29  25.20 +/- 1.26   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLU-  29  29.64 +/- 1.50   0.000% *  0.0672% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLN   32  30.48 +/- 1.99   0.000% *  0.0619% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  33  26.86 +/- 2.98   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   32  26.94 +/- 1.61   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU-  29  29.05 +/- 2.80   0.000% *  0.0260% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU-  29  27.18 +/- 1.20   0.000% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   32  30.62 +/- 2.61   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   32  27.46 +/- 1.29   0.000% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  33  28.85 +/- 1.01   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLN   32  27.83 +/- 2.78   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  29  26.26 +/- 1.45   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLU-  29  29.92 +/- 2.41   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   32  27.03 +/- 1.29   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 272 (1.38, 4.01, 59.34 ppm):
    45 chemical-shift based assignments, quality = 0.991, support = 5.98, residual support = 146.8:
    * O T HG3   LYS+  33 - HA    LYS+  33   3.25 +/- 0.33  89.991% * 76.3092% (1.00  10.0 10.00   6.00 148.41) =  98.804%  kept
        T HG3   LYS+  33 - HA    GLN   32   5.97 +/- 0.84   4.177% * 19.6245% (0.26   1.0 10.00   4.16  11.36) =   1.179%  kept
        T HG3   LYS+  33 - HA    GLU-  29   6.75 +/- 1.82   5.181% *  0.2130% (0.28   1.0 10.00   0.02   0.02) =   0.016%
          QB    ALA   12 - HA    LYS+  33  14.33 +/- 3.74   0.075% *  0.0611% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+  33  17.20 +/- 1.78   0.005% *  0.7219% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLN   32  14.93 +/- 1.96   0.015% *  0.1856% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  33  11.69 +/- 0.78   0.048% *  0.0401% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  33  13.18 +/- 0.75   0.023% *  0.0736% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  33  13.43 +/- 0.93   0.020% *  0.0756% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLN   32  10.08 +/- 0.86   0.125% *  0.0103% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLU-  29  11.38 +/- 0.81   0.057% *  0.0206% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  33  21.49 +/- 0.75   0.001% *  0.6110% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLU-  29  19.07 +/- 2.13   0.003% *  0.2015% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+  33  23.19 +/- 1.65   0.001% *  0.7563% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLN   32  12.77 +/- 0.86   0.028% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLU-  29  16.10 +/- 3.90   0.026% *  0.0171% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLU-  29  12.74 +/- 0.91   0.031% *  0.0112% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLN   32  13.82 +/- 0.89   0.017% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLN   32  19.75 +/- 0.84   0.002% *  0.1571% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  33  13.59 +/- 1.13   0.023% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  29  14.65 +/- 0.95   0.012% *  0.0211% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLN   32  17.45 +/- 3.72   0.013% *  0.0157% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLU-  29  21.80 +/- 0.92   0.001% *  0.1706% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLN   32  11.78 +/- 1.03   0.058% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLU-  29  24.89 +/- 1.69   0.001% *  0.2112% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLN   32  25.15 +/- 1.41   0.000% *  0.1945% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  33  17.86 +/- 0.74   0.004% *  0.0212% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU-  29  14.39 +/- 1.01   0.016% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLU-  29  15.49 +/- 0.64   0.009% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLU-  29  14.84 +/- 2.00   0.013% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLU-  29  16.37 +/- 0.97   0.007% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  33  20.64 +/- 1.06   0.002% *  0.0170% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  33  19.98 +/- 1.92   0.002% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLN   32  18.02 +/- 0.75   0.004% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLN   32  18.54 +/- 1.48   0.003% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLN   32  18.14 +/- 2.50   0.004% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LYS+  33  25.31 +/- 3.28   0.001% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  33  25.30 +/- 1.46   0.000% *  0.0190% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  33  32.74 +/- 2.07   0.000% *  0.0684% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  29  23.56 +/- 1.57   0.001% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLN   32  25.03 +/- 3.13   0.001% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLN   32  24.37 +/- 1.43   0.001% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLU-  29  27.48 +/- 2.88   0.000% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  29  32.68 +/- 2.09   0.000% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLN   32  32.37 +/- 1.73   0.000% *  0.0176% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.12 A, kept.
 
    Peak 273 (1.63, 4.01, 59.34 ppm):
    18 chemical-shift based assignments, quality = 0.993, support = 4.77, residual support = 147.2:
    *   T QD    LYS+  33 - HA    LYS+  33   3.65 +/- 0.61  91.194% * 76.4468% (1.00 10.00   4.79 148.41) =  99.134%  kept
        T QD    LYS+  33 - HA    GLN   32   6.83 +/- 1.01   2.257% * 19.6599% (0.26 10.00   3.10  11.36) =   0.631%  kept
        T QD    LYS+  33 - HA    GLU-  29   6.71 +/- 1.45   6.514% *  2.5309% (0.28 10.00   0.24   0.02) =   0.234%
          HD2   LYS+  74 - HA    LYS+  33  18.90 +/- 0.92   0.006% *  0.0433% (0.57  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  33  23.07 +/- 1.90   0.002% *  0.0663% (0.87  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  33  33.56 +/- 2.32   0.000% *  0.6856% (0.90 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLU-  29  17.16 +/- 0.80   0.011% *  0.0121% (0.16  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  33  26.61 +/- 3.61   0.001% *  0.0764% (1.00  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLN   32  19.04 +/- 0.91   0.006% *  0.0111% (0.15  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLU-  29  32.83 +/- 2.65   0.000% *  0.1914% (0.25 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLN   32  32.29 +/- 2.59   0.000% *  0.1763% (0.23 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLU-  29  22.47 +/- 1.69   0.002% *  0.0185% (0.24  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLN   32  23.35 +/- 1.89   0.002% *  0.0171% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLN   32  27.75 +/- 3.39   0.001% *  0.0197% (0.26  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLU-  29  29.97 +/- 3.08   0.000% *  0.0213% (0.28  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LYS+  33  31.84 +/- 2.73   0.000% *  0.0151% (0.20  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLU-  29  30.05 +/- 2.85   0.001% *  0.0042% (0.06  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   32  31.66 +/- 2.65   0.000% *  0.0039% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.22 A, kept.
 
    Peak 274 (2.92, 4.01, 59.34 ppm):
    24 chemical-shift based assignments, quality = 0.743, support = 4.78, residual support = 107.3:
    *   T QE    LYS+  33 - HA    LYS+  33   4.06 +/- 0.61  22.481% * 50.1449% (1.00 10.00   5.44 148.41) =  68.051%  kept
        T HB2   ASN   28 - HA    GLU-  29   4.05 +/- 0.20  17.905% * 13.7227% (0.27 10.00   4.82  35.78) =  14.832%  kept
        T HB2   ASN   35 - HA    GLN   32   3.39 +/- 0.49  52.709% *  4.3989% (0.09 10.00   2.12   6.35) =  13.996%  kept
        T HB2   ASN   35 - HA    LYS+  33   5.59 +/- 0.21   2.395% * 17.0550% (0.34 10.00   1.99   1.29) =   2.465%  kept
        T QE    LYS+  33 - HA    GLN   32   6.95 +/- 0.93   0.802% * 12.8958% (0.26 10.00   3.24  11.36) =   0.625%  kept
        T QE    LYS+  33 - HA    GLU-  29   6.45 +/- 1.59   3.154% *  0.1400% (0.28 10.00   0.02   0.02) =   0.027%
        T HB2   ASN   28 - HA    GLN   32   8.10 +/- 0.40   0.294% *  0.1264% (0.25 10.00   0.02   0.02) =   0.002%
        T HB2   ASN   28 - HA    LYS+  33  10.69 +/- 0.51   0.054% *  0.4915% (0.98 10.00   0.02   0.02) =   0.002%
        T HB2   ASN   35 - HA    GLU-  29   8.72 +/- 0.49   0.165% *  0.0478% (0.10 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    LYS+  33  21.90 +/- 1.72   0.001% *  0.4497% (0.90 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    LYS+  33  13.32 +/- 1.63   0.014% *  0.0077% (0.15  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLU-  29  17.85 +/- 1.61   0.003% *  0.0312% (0.06 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  33  22.14 +/- 1.43   0.001% *  0.1116% (0.22 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLU-  29  23.26 +/- 1.96   0.001% *  0.1256% (0.25 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  29  15.68 +/- 1.56   0.007% *  0.0096% (0.19  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLN   32  23.73 +/- 1.56   0.000% *  0.1157% (0.23 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  33  20.43 +/- 2.18   0.001% *  0.0344% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLN   32  17.25 +/- 2.55   0.005% *  0.0089% (0.18  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLN   32  21.24 +/- 1.59   0.001% *  0.0287% (0.06 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  33  25.99 +/- 0.91   0.000% *  0.0324% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLN   32  16.27 +/- 1.33   0.004% *  0.0020% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  29  21.30 +/- 0.92   0.001% *  0.0091% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  29  18.57 +/- 1.21   0.002% *  0.0022% (0.04  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLN   32  24.80 +/- 1.02   0.000% *  0.0083% (0.17  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.02 A, kept.
 
    Peak 275 (4.01, 1.86, 32.27 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 148.4:
    * O T HA    LYS+  33 - QB    LYS+  33   2.20 +/- 0.03  98.709% * 98.1731% (1.00  10.0 10.00   6.19 148.41) =  99.995%  kept
        T HA    GLU-  29 - QB    LYS+  33   6.01 +/- 0.82   0.339% *  0.9474% (0.97   1.0 10.00   0.02   0.02) =   0.003%
        T HA    GLN   32 - QB    LYS+  33   5.41 +/- 0.22   0.452% *  0.2730% (0.28   1.0 10.00   0.02  11.36) =   0.001%
          HB2   SER   37 - QB    LYS+  33   5.66 +/- 0.64   0.480% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    LYS+  33   9.84 +/- 1.12   0.016% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  33  12.43 +/- 0.77   0.003% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    LYS+  33  17.72 +/- 1.98   0.000% *  0.0880% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  33  26.21 +/- 1.76   0.000% *  0.1515% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    LYS+  33  24.22 +/- 1.38   0.000% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  33  23.61 +/- 2.03   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  33  22.81 +/- 1.56   0.000% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 276 (1.86, 1.86, 32.27 ppm):
    1 diagonal assignment:
    *     QB    LYS+  33 - QB    LYS+  33  (1.00)  kept
 
    Peak 278 (1.38, 1.86, 32.27 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.19, residual support = 148.4:
    * O T HG3   LYS+  33 - QB    LYS+  33   2.45 +/- 0.10  99.817% * 96.3761% (1.00  10.0 10.00   6.19 148.41) = 100.000%  kept
        T QB    LEU   98 - QB    LYS+  33  10.40 +/- 0.74   0.019% *  0.5071% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+  33  11.44 +/- 3.29   0.106% *  0.0772% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+  33  10.16 +/- 0.71   0.024% *  0.0930% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QB    LYS+  33  10.70 +/- 1.05   0.017% *  0.0955% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QB    LYS+  33  16.08 +/- 1.54   0.002% *  0.9117% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+  33  19.00 +/- 1.76   0.001% *  0.9552% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QB    LYS+  33  18.80 +/- 0.73   0.001% *  0.7717% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+  33  11.95 +/- 0.98   0.009% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+  33  14.04 +/- 0.68   0.003% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  33  16.52 +/- 1.61   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+  33  17.51 +/- 0.85   0.001% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+  33  22.07 +/- 2.97   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+  33  21.17 +/- 1.42   0.000% *  0.0240% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+  33  27.98 +/- 2.11   0.000% *  0.0864% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (1.63, 1.86, 32.27 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.06, residual support = 148.4:
    * O T QD    LYS+  33 - QB    LYS+  33   2.27 +/- 0.20  99.998% * 97.3258% (1.00  10.0 10.00   5.06 148.41) = 100.000%  kept
        T HD2   LYS+  74 - QB    LYS+  33  15.05 +/- 0.90   0.001% *  0.5510% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - QB    LYS+  33  22.97 +/- 3.16   0.000% *  0.9733% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QB    LYS+  33  19.19 +/- 1.73   0.000% *  0.0844% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  33  28.98 +/- 2.08   0.000% *  0.8728% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - QB    LYS+  33  26.73 +/- 2.40   0.000% *  0.1926% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 280 (2.92, 1.86, 32.27 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 148.4:
    *   T QE    LYS+  33 - QB    LYS+  33   2.67 +/- 0.68  98.876% * 98.6189% (1.00 10.00   5.63 148.41) = 100.000%  kept
          HB2   ASN   35 - QB    LYS+  33   6.52 +/- 0.32   0.938% *  0.0336% (0.34  1.00   0.02   1.29) =   0.000%
          HB2   ASN   28 - QB    LYS+  33   9.00 +/- 0.69   0.125% *  0.0967% (0.98  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QB    LYS+  33  17.98 +/- 1.79   0.003% *  0.8844% (0.90 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QB    LYS+  33  11.21 +/- 1.43   0.052% *  0.0152% (0.15  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  33  18.08 +/- 1.30   0.002% *  0.2196% (0.22 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  33  17.56 +/- 1.84   0.003% *  0.0677% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  33  21.58 +/- 0.96   0.001% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 287 (4.01, 1.38, 25.23 ppm):
    44 chemical-shift based assignments, quality = 0.99, support = 5.97, residual support = 146.5:
    * O T HA    LYS+  33 - HG3   LYS+  33   3.25 +/- 0.33  84.870% * 74.2013% (1.00  10.0 10.00   6.00 148.41) =  98.616%  kept
        T HA    GLN   32 - HG3   LYS+  33   5.97 +/- 0.84   4.100% * 20.6307% (0.28   1.0 10.00   4.16  11.36) =   1.325%  kept
        T HA    GLU-  29 - HG3   LYS+  33   6.75 +/- 1.82   5.117% *  0.7161% (0.97   1.0 10.00   0.02   0.02) =   0.057%
          HB2   SER   37 - HG3   LYS+  33   6.29 +/- 1.85   5.000% *  0.0165% (0.22   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - HG3   LYS+  65   9.03 +/- 2.15   0.546% *  0.0606% (0.82   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   52 - HG3   LYS+ 106  18.71 +/- 3.56   0.103% *  0.0728% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+  33  10.69 +/- 1.70   0.094% *  0.0644% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 102  17.20 +/- 1.78   0.005% *  0.3686% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 102  14.93 +/- 1.96   0.015% *  0.1025% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+  65  13.13 +/- 0.85   0.026% *  0.0556% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+  33  13.78 +/- 0.78   0.017% *  0.0702% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 102  19.07 +/- 2.13   0.003% *  0.3557% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  65  13.75 +/- 1.36   0.017% *  0.0556% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 106  13.43 +/- 0.65   0.019% *  0.0409% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 106  21.49 +/- 0.75   0.001% *  0.4715% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+  65  23.19 +/- 1.65   0.001% *  0.6408% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 106  21.80 +/- 0.92   0.001% *  0.4550% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 106  15.15 +/- 1.18   0.010% *  0.0409% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+  65  24.89 +/- 1.69   0.001% *  0.6184% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 102  15.60 +/- 1.26   0.008% *  0.0320% (0.43   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  19.75 +/- 0.84   0.002% *  0.1311% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  33  19.62 +/- 2.37   0.003% *  0.0665% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 106  17.81 +/- 0.68   0.004% *  0.0446% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  21.21 +/- 3.33   0.005% *  0.0248% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  17.82 +/- 2.69   0.006% *  0.0146% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  25.15 +/- 1.41   0.000% *  0.1782% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 106  21.64 +/- 2.97   0.002% *  0.0423% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  20.97 +/- 2.88   0.002% *  0.0337% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 102  16.48 +/- 1.74   0.006% *  0.0082% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 102  22.15 +/- 1.56   0.001% *  0.0320% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 102  23.79 +/- 4.26   0.001% *  0.0331% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 102  21.94 +/- 0.88   0.001% *  0.0349% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+  65  20.17 +/- 1.65   0.002% *  0.0143% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  26.11 +/- 2.38   0.001% *  0.0390% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  33  26.64 +/- 1.37   0.000% *  0.0644% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  20.29 +/- 1.70   0.002% *  0.0099% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  22.98 +/- 3.93   0.002% *  0.0114% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 106  20.41 +/- 0.76   0.002% *  0.0105% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  65  27.92 +/- 1.61   0.000% *  0.0575% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  25.16 +/- 2.02   0.001% *  0.0229% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  28.98 +/- 3.70   0.000% *  0.0194% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  28.50 +/- 1.97   0.000% *  0.0198% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  28.23 +/- 3.66   0.001% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  28.92 +/- 1.83   0.000% *  0.0114% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 288 (1.86, 1.38, 25.23 ppm):
    56 chemical-shift based assignments, quality = 0.846, support = 6.08, residual support = 143.5:
    * O T QB    LYS+  33 - HG3   LYS+  33   2.45 +/- 0.10  47.426% * 60.0127% (1.00  10.0 10.00   6.19 148.41) =  61.308%  kept
      O T QB    LYS+ 106 - HG3   LYS+ 106   2.43 +/- 0.06  49.791% * 36.0742% (0.60  10.0 10.00   5.89 135.79) =  38.690%  kept
          HB    ILE  103 - HG3   LYS+ 102   5.86 +/- 1.22   1.061% *  0.0282% (0.47   1.0  1.00   0.02  22.44) =   0.001%
          HB3   ASP- 105 - HG3   LYS+ 106   5.16 +/- 0.21   0.563% *  0.0374% (0.62   1.0  1.00   0.02  21.58) =   0.000%
          HB    ILE  103 - HG3   LYS+ 106   5.70 +/- 1.06   0.469% *  0.0361% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  33   5.90 +/- 1.51   0.602% *  0.0150% (0.25   1.0  1.00   0.02   0.17) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+ 102  11.21 +/- 1.39   0.007% *  0.2820% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  65  10.05 +/- 1.94   0.024% *  0.0478% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  33  10.51 +/- 1.50   0.012% *  0.0247% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 102  16.08 +/- 1.54   0.001% *  0.2981% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  65  17.56 +/- 0.86   0.000% *  0.4902% (0.82   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  33  18.28 +/- 0.83   0.000% *  0.5677% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  17.14 +/- 3.48   0.016% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+ 102  11.98 +/- 1.44   0.005% *  0.0292% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+  65  19.00 +/- 1.76   0.000% *  0.5182% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 106  18.80 +/- 0.73   0.000% *  0.3814% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 102  12.10 +/- 1.96   0.006% *  0.0123% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  65  14.43 +/- 1.64   0.002% *  0.0293% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  14.18 +/- 2.54   0.003% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 106  14.25 +/- 1.61   0.002% *  0.0216% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  33  16.93 +/- 1.93   0.001% *  0.0554% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  65  16.64 +/- 2.23   0.001% *  0.0500% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  65  17.16 +/- 1.07   0.000% *  0.0508% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 106  20.58 +/- 2.96   0.001% *  0.0368% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  33  18.36 +/- 0.96   0.000% *  0.0568% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 106  18.53 +/- 2.63   0.000% *  0.0352% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 106  18.69 +/- 2.06   0.000% *  0.0378% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  33  19.89 +/- 1.13   0.000% *  0.0588% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 106  13.84 +/- 1.04   0.002% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  33  21.21 +/- 1.90   0.000% *  0.0579% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  15.98 +/- 1.29   0.001% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 106  21.14 +/- 2.38   0.000% *  0.0368% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 102  20.55 +/- 2.40   0.000% *  0.0275% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 106  18.04 +/- 0.95   0.000% *  0.0157% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 102  17.43 +/- 1.64   0.000% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 106  17.87 +/- 0.94   0.000% *  0.0095% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  65  23.64 +/- 0.92   0.000% *  0.0490% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  65  19.29 +/- 1.66   0.000% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  19.81 +/- 1.53   0.000% *  0.0129% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  65  25.46 +/- 1.64   0.000% *  0.0500% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 102  24.67 +/- 3.34   0.000% *  0.0288% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  65  22.45 +/- 1.27   0.000% *  0.0213% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  33  28.47 +/- 2.85   0.000% *  0.0579% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  65  27.38 +/- 2.29   0.000% *  0.0514% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 102  25.88 +/- 2.98   0.000% *  0.0295% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  33  27.94 +/- 1.74   0.000% *  0.0595% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  33  25.74 +/- 1.52   0.000% *  0.0340% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 102  23.94 +/- 1.85   0.000% *  0.0169% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  21.30 +/- 2.66   0.000% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  27.08 +/- 3.80   0.000% *  0.0074% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  65  22.06 +/- 1.48   0.000% *  0.0080% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  25.48 +/- 2.98   0.000% *  0.0150% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 102  29.88 +/- 3.31   0.000% *  0.0288% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 102  23.36 +/- 1.69   0.000% *  0.0046% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  29.41 +/- 1.96   0.000% *  0.0150% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  33  27.10 +/- 1.03   0.000% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 290 (1.38, 1.38, 25.23 ppm):
    4 diagonal assignments:
    *     HG3   LYS+  33 - HG3   LYS+  33  (1.00)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.86)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.51)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.47)  kept
 
    Peak 291 (1.63, 1.38, 25.23 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 148.4:
    * O T QD    LYS+  33 - HG3   LYS+  33   2.32 +/- 0.14  99.834% * 94.8130% (1.00  10.0 10.00   4.55 148.41) = 100.000%  kept
          QB    ALA   57 - HG3   LYS+ 106  15.38 +/- 2.56   0.106% *  0.0523% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  65   9.40 +/- 1.55   0.037% *  0.0710% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 106  14.57 +/- 2.79   0.005% *  0.5403% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+  65  18.42 +/- 2.02   0.001% *  0.8188% (0.86   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  65  12.51 +/- 2.70   0.009% *  0.0464% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 102  17.25 +/- 1.52   0.001% *  0.4710% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  65  14.50 +/- 2.58   0.003% *  0.0819% (0.86   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 106  19.55 +/- 0.98   0.000% *  0.6025% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  65  22.64 +/- 1.59   0.000% *  0.7343% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 106  16.67 +/- 1.72   0.001% *  0.0602% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  33  16.54 +/- 0.94   0.001% *  0.0537% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 102  24.73 +/- 3.26   0.000% *  0.4224% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 106  16.34 +/- 1.52   0.001% *  0.0341% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 102  22.64 +/- 2.63   0.001% *  0.0409% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  33  21.18 +/- 1.72   0.000% *  0.0822% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  33  31.90 +/- 2.15   0.000% *  0.8503% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  65  17.34 +/- 2.30   0.001% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 102  21.39 +/- 2.99   0.000% *  0.0471% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  33  25.33 +/- 3.71   0.000% *  0.0948% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 106  21.46 +/- 2.82   0.001% *  0.0119% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 102  22.32 +/- 1.56   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  33  29.49 +/- 2.87   0.000% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 102  30.83 +/- 3.26   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 292 (2.92, 1.38, 25.23 ppm):
    32 chemical-shift based assignments, quality = 0.849, support = 4.55, residual support = 158.9:
      O T QE    LYS+  65 - HG3   LYS+  65   2.29 +/- 0.39  72.127% * 42.3520% (0.77  10.0 10.00   4.28 164.17) =  66.841%  kept
    * O T QE    LYS+  33 - HG3   LYS+  33   2.83 +/- 0.50  27.711% * 54.6859% (1.00  10.0 10.00   5.09 148.41) =  33.159%  kept
          HB2   ASN   35 - HG3   LYS+  33   7.17 +/- 0.42   0.109% *  0.0187% (0.34   1.0  1.00   0.02   1.29) =   0.000%
          HB2   ASN   28 - HG3   LYS+  33   9.96 +/- 1.82   0.022% *  0.0536% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  18.94 +/- 2.15   0.000% *  0.4722% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  17.68 +/- 1.50   0.001% *  0.2717% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  33  12.32 +/- 2.45   0.013% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  19.96 +/- 1.76   0.000% *  0.4904% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  19.69 +/- 1.01   0.000% *  0.3116% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  20.01 +/- 1.15   0.000% *  0.3475% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  12.53 +/- 2.00   0.009% *  0.0093% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  16.13 +/- 3.10   0.002% *  0.0239% (0.44   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  33  20.01 +/- 1.82   0.000% *  0.1217% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  65  19.79 +/- 2.28   0.000% *  0.1051% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 106  20.57 +/- 1.94   0.000% *  0.0774% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  24.85 +/- 1.13   0.000% *  0.2436% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  65  14.50 +/- 1.20   0.002% *  0.0073% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  19.18 +/- 2.31   0.000% *  0.0266% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  19.28 +/- 2.17   0.000% *  0.0376% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  19.18 +/- 4.45   0.001% *  0.0187% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.64 +/- 1.13   0.000% *  0.0341% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  18.47 +/- 1.17   0.000% *  0.0119% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  22.77 +/- 2.75   0.000% *  0.0305% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  22.95 +/- 2.47   0.000% *  0.0225% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 102  26.16 +/- 2.23   0.000% *  0.0605% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  23.96 +/- 1.39   0.000% *  0.0354% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  25.24 +/- 1.76   0.000% *  0.0463% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 102  18.15 +/- 1.80   0.000% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 106  19.01 +/- 1.61   0.000% *  0.0054% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  26.04 +/- 1.60   0.000% *  0.0324% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  25.01 +/- 1.36   0.000% *  0.0161% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  29.09 +/- 2.68   0.000% *  0.0176% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (4.01, 1.63, 29.57 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 147.1:
    *   T HA    LYS+  33 - QD    LYS+  33   3.65 +/- 0.61  80.482% * 87.2294% (1.00 10.00   4.79 148.41) =  99.105%  kept
        T HA    GLU-  29 - QD    LYS+  33   6.71 +/- 1.45   6.275% *  9.9825% (0.97 10.00   0.24   0.02) =   0.884%  kept
        T HA    GLN   32 - QD    LYS+  33   6.83 +/- 1.01   2.065% *  0.2425% (0.28 10.00   0.02  11.36) =   0.007%
          HB2   SER   37 - QD    LYS+  33   6.09 +/- 1.32  10.395% *  0.0194% (0.22  1.00   0.02   0.02) =   0.003%
          HA    VAL   70 - QD    LYS+  33   9.92 +/- 1.67   0.491% *  0.0757% (0.87  1.00   0.02   0.02) =   0.001%
          HA    VAL   18 - QD    LYS+  33  11.94 +/- 1.43   0.120% *  0.0825% (0.95  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   LYS+ 111  11.87 +/- 1.07   0.091% *  0.0678% (0.78  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QD    LYS+  33  18.20 +/- 1.86   0.009% *  0.0782% (0.90  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  14.62 +/- 3.18   0.053% *  0.0121% (0.14  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HD3   LYS+ 111  20.65 +/- 2.90   0.004% *  0.0411% (0.47  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HD3   LYS+ 111  32.83 +/- 2.65   0.000% *  0.7544% (0.86 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HD3   LYS+ 111  33.56 +/- 2.32   0.000% *  0.7817% (0.90 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QD    LYS+  33  23.52 +/- 2.51   0.003% *  0.0459% (0.53  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   LYS+ 111  23.67 +/- 1.90   0.002% *  0.0739% (0.85  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QD    LYS+  33  24.31 +/- 1.56   0.001% *  0.0757% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  21.36 +/- 2.57   0.003% *  0.0241% (0.28  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HD3   LYS+ 111  25.24 +/- 2.06   0.001% *  0.0678% (0.78  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  32.29 +/- 2.59   0.000% *  0.2173% (0.25 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  33  23.44 +/- 1.60   0.002% *  0.0269% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HD3   LYS+ 111  28.20 +/- 2.68   0.001% *  0.0701% (0.80  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  33  26.26 +/- 2.11   0.001% *  0.0135% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HD3   LYS+ 111  32.27 +/- 2.03   0.000% *  0.0174% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 294 (1.86, 1.63, 29.57 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.06, residual support = 148.4:
    * O T QB    LYS+  33 - QD    LYS+  33   2.27 +/- 0.20  99.199% * 94.1852% (1.00  10.0 10.00   5.06 148.41) = 100.000%  kept
          HB3   GLN   30 - QD    LYS+  33   5.92 +/- 0.92   0.674% *  0.0235% (0.25   1.0  1.00   0.02   0.17) =   0.000%
        T HG3   PRO   68 - QD    LYS+  33  15.02 +/- 1.81   0.002% *  0.8694% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD3   LYS+ 111  11.63 +/- 3.88   0.063% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   LYS+ 111  11.76 +/- 2.20   0.013% *  0.0798% (0.85   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HD3   LYS+ 111  16.64 +/- 1.99   0.001% *  0.8145% (0.86   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  33  10.49 +/- 1.07   0.017% *  0.0387% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD3   LYS+ 111  11.44 +/- 2.90   0.012% *  0.0478% (0.51   1.0  1.00   0.02   2.11) =   0.000%
          HB2   MET   92 - HD3   LYS+ 111  11.10 +/- 2.25   0.014% *  0.0130% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   LYS+ 111  15.52 +/- 2.74   0.002% *  0.0827% (0.88   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - QD    LYS+  33  25.60 +/- 2.84   0.000% *  0.9090% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD3   LYS+ 111  18.88 +/- 1.45   0.000% *  0.2105% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   LYS+ 111  25.70 +/- 3.00   0.000% *  0.7791% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   LYS+ 111  18.70 +/- 2.65   0.001% *  0.0837% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  33  17.41 +/- 0.94   0.001% *  0.0891% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  33  17.94 +/- 1.04   0.001% *  0.0891% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   LYS+ 111  19.78 +/- 3.24   0.000% *  0.0798% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  33  18.83 +/- 1.18   0.000% *  0.0923% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  33  19.38 +/- 1.43   0.000% *  0.0909% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  33  23.22 +/- 2.63   0.000% *  0.2349% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD3   LYS+ 111  28.98 +/- 2.08   0.000% *  0.8440% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   LYS+ 111  24.49 +/- 2.61   0.000% *  0.0815% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  33  25.76 +/- 1.45   0.000% *  0.0934% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  33  23.46 +/- 1.76   0.000% *  0.0533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  33  26.80 +/- 1.93   0.000% *  0.0235% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  33  25.00 +/- 0.94   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   LYS+ 111  28.13 +/- 2.50   0.000% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   LYS+ 111  31.01 +/- 2.34   0.000% *  0.0347% (0.37   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 296 (1.38, 1.63, 29.57 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 148.4:
    * O T HG3   LYS+  33 - QD    LYS+  33   2.32 +/- 0.14  99.536% * 93.1714% (1.00  10.0 10.00   4.55 148.41) = 100.000%  kept
          QB    ALA   12 - QD    LYS+  33  10.42 +/- 3.40   0.277% *  0.0746% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HD3   LYS+ 111   7.77 +/- 0.69   0.083% *  0.0749% (0.80   1.0  1.00   0.02  28.11) =   0.000%
        T HG3   LYS+ 106 - HD3   LYS+ 111  14.57 +/- 2.79   0.005% *  0.6686% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  33  10.43 +/- 1.15   0.018% *  0.0899% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  33  11.02 +/- 1.29   0.012% *  0.0923% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  12.01 +/- 2.15   0.046% *  0.0208% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HD3   LYS+ 111  15.33 +/- 3.49   0.003% *  0.2082% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  33  17.25 +/- 1.52   0.001% *  0.8814% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+  33  18.42 +/- 2.02   0.001% *  0.9235% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  33  11.40 +/- 0.88   0.008% *  0.0490% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  33  19.55 +/- 0.98   0.000% *  0.7461% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD3   LYS+ 111  22.64 +/- 1.59   0.000% *  0.8275% (0.89   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD3   LYS+ 111  24.73 +/- 3.26   0.000% *  0.7898% (0.85   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  33  13.86 +/- 1.18   0.003% *  0.0259% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.01 +/- 1.38   0.004% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD3   LYS+ 111  21.19 +/- 1.73   0.000% *  0.0828% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   LYS+ 111  19.93 +/- 2.49   0.000% *  0.0439% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD3   LYS+ 111  31.90 +/- 2.15   0.000% *  0.8349% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD3   LYS+ 111  22.89 +/- 2.14   0.000% *  0.0806% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   LYS+ 111  22.81 +/- 2.88   0.001% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  33  16.77 +/- 1.55   0.001% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  17.84 +/- 1.03   0.001% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  18.89 +/- 2.19   0.001% *  0.0186% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  21.39 +/- 1.68   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    LYS+  33  22.49 +/- 2.84   0.000% *  0.0232% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  33  28.05 +/- 2.30   0.000% *  0.0836% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  21.65 +/- 2.71   0.000% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   LYS+ 111  24.97 +/- 3.05   0.000% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   LYS+ 111  31.37 +/- 2.54   0.000% *  0.0669% (0.72   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.03 A, kept.
 
    Peak 297 (1.63, 1.63, 29.57 ppm):
    2 diagonal assignments:
    *     QD    LYS+  33 - QD    LYS+  33  (1.00)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.80)  kept
 
    Peak 298 (2.92, 1.63, 29.57 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 148.4:
    * O T QE    LYS+  33 - QD    LYS+  33   2.11 +/- 0.03  99.928% * 96.5704% (1.00  10.0 10.00   4.20 148.41) = 100.000%  kept
          HB2   ASN   28 - QD    LYS+  33   9.71 +/- 1.33   0.016% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  33   8.01 +/- 0.71   0.043% *  0.0329% (0.34   1.0  1.00   0.02   1.29) =   0.000%
        T QE    LYS+  65 - QD    LYS+  33  17.39 +/- 2.14   0.000% *  0.8661% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  33  11.00 +/- 2.15   0.011% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  20.92 +/- 2.11   0.000% *  0.7761% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  33  17.98 +/- 1.60   0.000% *  0.2150% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD3   LYS+ 111  23.50 +/- 3.61   0.000% *  0.1927% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  33  18.26 +/- 1.72   0.000% *  0.0663% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  24.12 +/- 3.77   0.000% *  0.0560% (0.58   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  29.78 +/- 2.03   0.000% *  0.8654% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  33  21.51 +/- 1.21   0.000% *  0.0625% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  23.37 +/- 2.65   0.000% *  0.0594% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  30.93 +/- 2.85   0.000% *  0.0848% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  31.64 +/- 2.52   0.000% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD3   LYS+ 111  28.78 +/- 2.23   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 299 (4.01, 2.92, 42.01 ppm):
    33 chemical-shift based assignments, quality = 0.989, support = 5.4, residual support = 146.3:
    *   T HA    LYS+  33 - QE    LYS+  33   4.06 +/- 0.61  61.531% * 76.3050% (1.00 10.00   5.44 148.41) =  98.510%  kept
        T HA    GLN   32 - QE    LYS+  33   6.95 +/- 0.93   2.902% * 21.2156% (0.28 10.00   3.24  11.36) =   1.292%  kept
        T HA    GLU-  29 - QE    LYS+  33   6.45 +/- 1.59  12.366% *  0.7364% (0.97 10.00   0.02   0.02) =   0.191%
          HB2   SER   37 - QE    LYS+  33   6.72 +/- 1.68  13.918% *  0.0170% (0.22  1.00   0.02   0.02) =   0.005%
          HA    VAL   18 - QE    LYS+  65   9.05 +/- 2.26   1.331% *  0.0371% (0.49  1.00   0.02   0.02) =   0.001%
          HA    VAL   70 - QE    LYS+  33  10.57 +/- 2.10   0.439% *  0.0662% (0.87  1.00   0.02   0.02) =   0.001%
          HA    SER   48 - HB2   ASP-  76   9.29 +/- 3.51   2.219% *  0.0060% (0.08  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QE    LYS+  33  12.32 +/- 1.62   0.129% *  0.0722% (0.95  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASP-  76  14.36 +/- 3.66   4.672% *  0.0018% (0.02  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  65  13.20 +/- 1.88   0.091% *  0.0340% (0.45  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QE    LYS+  65  13.30 +/- 0.72   0.055% *  0.0340% (0.45  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASP-  76  11.18 +/- 1.01   0.174% *  0.0102% (0.13  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   ASP-  76  17.85 +/- 1.61   0.010% *  0.1098% (0.14 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QE    LYS+  65  21.90 +/- 1.72   0.003% *  0.3923% (0.51 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  33  18.06 +/- 2.01   0.012% *  0.0684% (0.90  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QE    LYS+  65  23.26 +/- 1.96   0.002% *  0.3786% (0.50 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASP-  76  13.42 +/- 0.98   0.049% *  0.0108% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   ASP-  76  22.14 +/- 1.43   0.003% *  0.1138% (0.15 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  65  18.99 +/- 2.45   0.010% *  0.0206% (0.27  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  23.73 +/- 1.56   0.002% *  0.1091% (0.14 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASP-  76  13.82 +/- 0.97   0.049% *  0.0035% (0.05  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB2   ASP-  76  21.24 +/- 1.59   0.003% *  0.0316% (0.04 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  33  23.56 +/- 2.69   0.002% *  0.0401% (0.53  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  33  24.89 +/- 2.06   0.001% *  0.0662% (0.87  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  18.49 +/- 1.35   0.009% *  0.0061% (0.08  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QE    LYS+  65  19.32 +/- 1.51   0.006% *  0.0087% (0.11  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  23.51 +/- 1.86   0.002% *  0.0236% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  65  25.66 +/- 1.96   0.001% *  0.0352% (0.46  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   ASP-  76  20.62 +/- 0.86   0.004% *  0.0099% (0.13  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   ASP-  76  23.41 +/- 1.47   0.002% *  0.0099% (0.13  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  26.27 +/- 2.02   0.001% *  0.0121% (0.16  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.38 +/- 2.48   0.001% *  0.0118% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   ASP-  76  24.27 +/- 1.22   0.001% *  0.0025% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.17 A, kept.
 
    Peak 300 (1.86, 2.92, 42.01 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 148.4:
    *   T QB    LYS+  33 - QE    LYS+  33   2.67 +/- 0.68  96.887% * 97.9499% (1.00 10.00   5.63 148.41) =  99.999%  kept
          HB3   GLN   30 - QE    LYS+  33   6.11 +/- 1.42   2.643% *  0.0244% (0.25  1.00   0.02   0.17) =   0.001%
          HG3   PRO   68 - QE    LYS+  65  10.38 +/- 1.63   0.073% *  0.0465% (0.47  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  33  11.09 +/- 1.34   0.064% *  0.0403% (0.41  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP-  76   8.79 +/- 0.89   0.149% *  0.0141% (0.14  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QE    LYS+  65  17.98 +/- 1.79   0.003% *  0.5035% (0.51 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+  33  15.66 +/- 2.34   0.012% *  0.0904% (0.92  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB2   ASP-  76  18.08 +/- 1.30   0.002% *  0.1461% (0.15 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  65  14.89 +/- 1.99   0.007% *  0.0486% (0.50  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP-  76  13.30 +/- 1.93   0.021% *  0.0145% (0.15  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  65  13.59 +/- 1.28   0.011% *  0.0285% (0.29  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  33  17.77 +/- 1.02   0.002% *  0.0927% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  16.78 +/- 3.53   0.055% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  65  16.90 +/- 0.83   0.003% *  0.0476% (0.49  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  33  18.36 +/- 0.82   0.002% *  0.0927% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  65  16.81 +/- 1.31   0.003% *  0.0494% (0.50  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  33  19.26 +/- 1.50   0.001% *  0.0945% (0.97  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  65  13.77 +/- 2.42   0.010% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  33  19.40 +/- 1.51   0.001% *  0.0960% (0.98  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP-  76  14.77 +/- 3.65   0.009% *  0.0141% (0.14  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   ASP-  76  16.61 +/- 1.55   0.004% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  65  23.19 +/- 1.99   0.001% *  0.0486% (0.50  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP-  76  14.54 +/- 1.54   0.010% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP-  76  16.74 +/- 2.91   0.004% *  0.0083% (0.08  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+  65  18.31 +/- 1.87   0.003% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  65  25.12 +/- 2.30   0.001% *  0.0499% (0.51  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  33  25.83 +/- 1.84   0.000% *  0.0971% (0.99  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  65  22.63 +/- 0.95   0.001% *  0.0476% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  65  18.18 +/- 1.11   0.002% *  0.0126% (0.13  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  33  23.76 +/- 2.22   0.000% *  0.0555% (0.57  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ASP-  76  14.60 +/- 2.21   0.010% *  0.0023% (0.02  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  33  25.79 +/- 2.75   0.000% *  0.0945% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  65  21.52 +/- 1.11   0.001% *  0.0207% (0.21  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  65  20.47 +/- 1.44   0.001% *  0.0078% (0.08  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   ASP-  76  22.42 +/- 2.12   0.001% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  33  23.90 +/- 2.78   0.000% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   ASP-  76  22.02 +/- 1.43   0.001% *  0.0143% (0.15  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP-  76  24.36 +/- 1.42   0.000% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  33  26.98 +/- 2.37   0.000% *  0.0244% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  33  25.22 +/- 1.30   0.000% *  0.0151% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP-  76  26.90 +/- 1.06   0.000% *  0.0060% (0.06  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  27.76 +/- 1.28   0.000% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 4.77 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 = 0.721, support = 4.63, residual support = 157.4:
      O T HG3   LYS+  65 - QE    LYS+  65   2.29 +/- 0.39  71.222% * 32.5421% (0.51  10.0 10.00   4.28 164.17) =  56.945%  kept
    * O T HG3   LYS+  33 - QE    LYS+  33   2.83 +/- 0.50  27.437% * 63.8684% (1.00  10.0 10.00   5.09 148.41) =  43.054%  kept
          QB    ALA   12 - QE    LYS+  33  10.54 +/- 3.56   0.434% *  0.0511% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QE    LYS+  33  11.51 +/- 1.63   0.014% *  0.0633% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   5.83 +/- 1.17   0.582% *  0.0015% (0.02   1.0  1.00   0.02   2.92) =   0.000%
          HB3   LEU   73 - QE    LYS+  33  10.66 +/- 1.18   0.012% *  0.0616% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   ASP-  76   7.03 +/- 1.16   0.151% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  33  17.68 +/- 1.50   0.001% *  0.6042% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  33  11.76 +/- 1.01   0.007% *  0.0336% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  33  18.94 +/- 2.15   0.000% *  0.6330% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  76   7.47 +/- 0.81   0.073% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  33  20.01 +/- 1.15   0.000% *  0.5114% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  65  13.07 +/- 0.90   0.003% *  0.0325% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB2   ASP-  76  10.69 +/- 0.89   0.010% *  0.0092% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  65  16.18 +/- 2.89   0.003% *  0.0294% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  65  19.69 +/- 1.01   0.000% *  0.2629% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  76  12.30 +/- 2.34   0.031% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  65  19.96 +/- 1.76   0.000% *  0.3283% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  65  14.04 +/- 1.53   0.002% *  0.0263% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  33  13.96 +/- 1.26   0.002% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  65  15.11 +/- 1.59   0.001% *  0.0317% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  33  13.41 +/- 1.17   0.004% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  65  13.10 +/- 2.27   0.003% *  0.0091% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB2   ASP-  76  19.79 +/- 2.28   0.000% *  0.0944% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  65  24.85 +/- 1.13   0.000% *  0.3106% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB2   ASP-  76  20.01 +/- 1.82   0.000% *  0.0953% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   ASP-  76  20.57 +/- 1.94   0.000% *  0.0763% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  65  15.03 +/- 1.62   0.001% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HB2   ASP-  76  15.76 +/- 0.72   0.001% *  0.0094% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  33  16.72 +/- 1.60   0.001% *  0.0099% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  65  17.73 +/- 0.81   0.000% *  0.0173% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  33  17.85 +/- 1.17   0.001% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  65  17.44 +/- 1.77   0.001% *  0.0082% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  76  22.90 +/- 3.24   0.001% *  0.0085% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   ASP-  76  26.16 +/- 2.23   0.000% *  0.0901% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  33  21.71 +/- 1.78   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   ASP-  76  17.69 +/- 1.29   0.001% *  0.0050% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  33  23.14 +/- 2.83   0.000% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   ASP-  76  19.59 +/- 3.37   0.000% *  0.0076% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  33  28.57 +/- 2.65   0.000% *  0.0573% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  65  19.83 +/- 1.86   0.000% *  0.0073% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  65  19.45 +/- 1.04   0.000% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  65  20.99 +/- 1.95   0.000% *  0.0051% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  76  18.95 +/- 1.76   0.000% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   ASP-  76  25.96 +/- 2.00   0.000% *  0.0024% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 303 (1.63, 2.92, 42.01 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 148.4:
    * O T QD    LYS+  33 - QE    LYS+  33   2.11 +/- 0.03  99.883% * 97.4730% (1.00  10.0 10.00   4.20 148.41) = 100.000%  kept
          QB    ALA   57 - QE    LYS+  65   8.56 +/- 1.28   0.047% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   ASP-  76   8.26 +/- 1.39   0.052% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+  65  17.39 +/- 2.14   0.000% *  0.5011% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  65  11.90 +/- 2.68   0.006% *  0.0284% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  65  14.04 +/- 2.54   0.003% *  0.0501% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  20.92 +/- 2.11   0.000% *  0.4494% (0.46   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   ASP-  76  12.73 +/- 2.17   0.004% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  15.09 +/- 1.53   0.001% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   ASP-  76  17.98 +/- 1.60   0.000% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   ASP-  76  23.50 +/- 3.61   0.000% *  0.1304% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  19.21 +/- 2.10   0.000% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  29.78 +/- 2.03   0.000% *  0.8742% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  65  15.46 +/- 2.00   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  33  23.73 +/- 3.42   0.000% *  0.0975% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   ASP-  76  15.59 +/- 3.68   0.002% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  33  26.68 +/- 2.68   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   ASP-  76  28.51 +/- 1.82   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 304 (2.92, 2.92, 42.01 ppm):
    3 diagonal assignments:
    *     QE    LYS+  33 - QE    LYS+  33  (1.00)  kept
          QE    LYS+  65 - QE    LYS+  65  (0.46)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.03)  kept
 
    Peak 305 (4.13, 4.13, 54.46 ppm):
    2 diagonal assignments:
    *     HA    ALA   34 - HA    ALA   34  (0.80)  kept
          HA    ALA  124 - HA    ALA  124  (0.12)  kept
 
    Peak 306 (1.28, 4.13, 54.46 ppm):
    14 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 25.6:
    * O T QB    ALA   34 - HA    ALA   34   2.13 +/- 0.01  89.332% * 99.3602% (0.80  10.0 10.00   1.93  25.58) =  99.996%  kept
          QG2   THR   39 - HA    ALA   34   3.80 +/- 0.81  10.592% *  0.0308% (0.25   1.0  1.00   0.02   9.08) =   0.004%
          HG3   LYS+  38 - HA    ALA   34   7.10 +/- 0.41   0.069% *  0.0583% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   34 - HA    ALA  124  16.87 +/- 3.63   0.001% *  0.2281% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA   34  15.17 +/- 0.70   0.001% *  0.1098% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ALA  124  13.87 +/- 3.94   0.004% *  0.0071% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA   34  19.33 +/- 1.67   0.000% *  0.0805% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA  124  17.54 +/- 1.16   0.000% *  0.0185% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA   34  18.54 +/- 1.16   0.000% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA  124  19.55 +/- 5.38   0.000% *  0.0134% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA   34  21.39 +/- 1.19   0.000% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA  124  27.00 +/- 2.43   0.000% *  0.0252% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA  124  24.46 +/- 1.16   0.000% *  0.0071% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA  124  24.01 +/- 1.50   0.000% *  0.0057% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 307 (4.13, 1.28, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 25.6:
    * O T HA    ALA   34 - QB    ALA   34   2.13 +/- 0.01  99.549% * 98.8230% (0.80  10.0 10.00   1.93  25.58) = 100.000%  kept
          HA1   GLY  101 - QB    ALA   34   6.80 +/- 1.62   0.247% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    ALA   34   6.97 +/- 0.23   0.083% *  0.1092% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA   34   6.67 +/- 0.02   0.106% *  0.0170% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   34  16.87 +/- 3.63   0.001% *  0.6683% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   34   9.52 +/- 0.40   0.013% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   34  17.34 +/- 0.73   0.000% *  0.1080% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   34  20.99 +/- 1.57   0.000% *  0.0800% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   34  19.95 +/- 0.96   0.000% *  0.0624% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA   34  18.33 +/- 1.26   0.000% *  0.0245% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.02, residual support = 55.3:
    * O T HB2   ASN   35 - HA    ASN   35   2.72 +/- 0.07  99.607% * 98.4270% (1.00  10.0 10.00   4.02  55.32) = 100.000%  kept
        T HB2   ASN   35 - HA    LEU   40   9.38 +/- 0.55   0.064% *  0.3690% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    ASN   35  13.10 +/- 0.34   0.008% *  0.4413% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASN   35   8.71 +/- 0.69   0.108% *  0.0336% (0.34   1.0  1.00   0.02   1.29) =   0.000%
          QE    LYS+  65 - HA    GLU-  15  10.00 +/- 1.37   0.058% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    GLU-  15  11.19 +/- 1.94   0.089% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LEU   40  15.73 +/- 0.38   0.003% *  0.1654% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    LEU   40  10.93 +/- 1.27   0.033% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    GLU-  15  18.51 +/- 1.78   0.001% *  0.1825% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   35  19.95 +/- 2.77   0.001% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    GLU-  15  19.16 +/- 1.23   0.001% *  0.0818% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    LEU   40  12.97 +/- 1.11   0.011% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    LEU   40  15.60 +/- 1.86   0.004% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    LEU   40  17.34 +/- 0.92   0.002% *  0.0224% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LEU   40  19.11 +/- 2.33   0.001% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    GLU-  15  14.28 +/- 1.29   0.007% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    ASN   35  17.66 +/- 1.15   0.002% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   35  22.73 +/- 1.10   0.000% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    ASN   35  21.88 +/- 1.77   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  15  24.46 +/- 1.36   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    GLU-  15  21.58 +/- 1.24   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 312 (2.95, 2.95, 38.12 ppm):
    2 diagonal assignments:
    *     HB2   ASN   35 - HB2   ASN   35  (1.00)  kept
          HB2   ASN   28 - HB2   ASN   28  (0.14)  kept
 
    Peak 313 (4.10, 4.10, 58.69 ppm):
    1 diagonal assignment:
    *     HA    GLU-  36 - HA    GLU-  36  (1.00)  kept
 
    Peak 314 (2.15, 4.10, 58.69 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.56, residual support = 86.7:
    * O T QB    GLU-  36 - HA    GLU-  36   2.39 +/- 0.19  99.955% * 98.9106% (1.00  10.0 10.00   5.56  86.68) = 100.000%  kept
        T HB3   GLU-  29 - HA    GLU-  36  12.07 +/- 0.58   0.007% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  36  10.04 +/- 1.98   0.035% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  36  14.13 +/- 0.78   0.003% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  36  26.61 +/- 1.40   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  36  33.12 +/- 1.53   0.000% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 316 (2.46, 4.10, 58.69 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.7:
    * O T HG2   GLU-  36 - HA    GLU-  36   2.78 +/- 0.85  99.996% * 99.8378% (1.00  10.0 10.00   3.62  86.68) = 100.000%  kept
          HG3   MET   96 - HA    GLU-  36  19.52 +/- 1.22   0.003% *  0.0922% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  36  23.08 +/- 2.83   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  36  27.08 +/- 1.04   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 317 (2.31, 4.10, 58.69 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.7:
    * O T HG3   GLU-  36 - HA    GLU-  36   3.44 +/- 0.11  99.986% * 99.2256% (1.00  10.0 10.00   3.62  86.68) = 100.000%  kept
        T QB    MET   11 - HA    GLU-  36  18.66 +/- 4.03   0.010% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  36  19.95 +/- 0.87   0.003% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  36  26.20 +/- 1.38   0.001% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  36  27.28 +/- 1.41   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  36  32.78 +/- 0.96   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  36  33.84 +/- 2.41   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.01 A, kept.
 
    Peak 328 (4.10, 2.46, 36.40 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.7:
    * O T HA    GLU-  36 - HG2   GLU-  36   2.78 +/- 0.85  99.996% * 99.7630% (1.00  10.0 10.00   3.62  86.68) = 100.000%  kept
          HA    ALA  124 - HG2   GLU-  36  25.30 +/- 5.76   0.002% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   GLU-  36  27.55 +/- 2.18   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   GLU-  36  23.50 +/- 2.28   0.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   GLU-  36  32.47 +/- 2.56   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 329 (2.15, 2.46, 36.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 86.7:
    * O T QB    GLU-  36 - HG2   GLU-  36   2.50 +/- 0.06  99.960% * 98.9106% (1.00  10.0 10.00   4.28  86.68) = 100.000%  kept
        T HB3   GLU-  29 - HG2   GLU-  36  10.75 +/- 1.09   0.018% *  0.8580% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   GLU-  36  12.85 +/- 0.97   0.006% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG2   GLU-  36  11.76 +/- 1.99   0.015% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  36  25.63 +/- 2.40   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  36  32.86 +/- 1.70   0.000% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (2.46, 2.46, 36.40 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  36 - HG2   GLU-  36  (1.00)  kept
 
    Peak 332 (2.31, 2.46, 36.40 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.7:
    * O T HG3   GLU-  36 - HG2   GLU-  36   1.75 +/- 0.00  99.999% * 99.2256% (1.00  10.0 10.00   3.00  86.68) = 100.000%  kept
        T QB    MET   11 - HG2   GLU-  36  17.44 +/- 4.30   0.000% *  0.3724% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   GLU-  36  18.79 +/- 1.16   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   GLU-  36  25.23 +/- 2.10   0.000% *  0.0958% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  36  27.64 +/- 1.51   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  36  32.62 +/- 1.49   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  36  33.65 +/- 2.62   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 333 (4.10, 2.31, 36.40 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.62, residual support = 86.7:
    * O T HA    GLU-  36 - HG3   GLU-  36   3.44 +/- 0.11  99.982% * 99.6097% (1.00  10.0 10.00   3.62  86.68) = 100.000%  kept
        T HA    GLU-  36 - QB    MET   11  18.66 +/- 4.03   0.010% *  0.1241% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   GLU-  36  25.98 +/- 5.70   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   GLU-  36  27.80 +/- 1.68   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG3   GLU-  36  23.95 +/- 2.01   0.001% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    MET   11  20.15 +/- 1.82   0.003% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG3   GLU-  36  32.96 +/- 2.08   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    MET   11  26.07 +/- 3.99   0.001% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    MET   11  29.30 +/- 4.23   0.001% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    MET   11  29.31 +/- 3.45   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 334 (2.15, 2.31, 36.40 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.28, residual support = 86.7:
    * O   QB    GLU-  36 - HG3   GLU-  36   2.26 +/- 0.09  99.967% * 99.4418% (1.00  10.0  1.00   4.28  86.68) = 100.000%  kept
          HB3   GLU-  29 - HG3   GLU-  36  10.46 +/- 0.74   0.011% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   GLU-  36  12.61 +/- 1.08   0.004% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG3   GLU-  36  12.66 +/- 2.14   0.007% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QB    MET   11  17.14 +/- 4.55   0.005% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QB    MET   11  15.23 +/- 3.59   0.003% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - QB    MET   11  24.68 +/- 4.50   0.000% *  0.1228% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QB    MET   11  18.50 +/- 4.42   0.002% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG3   GLU-  36  25.77 +/- 1.54   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - QB    MET   11  34.53 +/- 3.85   0.000% *  0.0851% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   GLU-  36  33.34 +/- 1.46   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QB    MET   11  22.97 +/- 3.45   0.000% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 336 (2.46, 2.31, 36.40 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 86.7:
    * O T HG2   GLU-  36 - HG3   GLU-  36   1.75 +/- 0.00  99.999% * 99.6937% (1.00  10.0 10.00   3.00  86.68) = 100.000%  kept
        T HG2   GLU-  36 - QB    MET   11  17.44 +/- 4.30   0.000% *  0.1242% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  36  20.80 +/- 1.24   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  36  27.52 +/- 1.92   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   GLU-  36  23.40 +/- 2.52   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    MET   11  27.06 +/- 2.81   0.000% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    MET   11  24.47 +/- 1.21   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    MET   11  29.24 +/- 4.46   0.000% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 337 (2.31, 2.31, 36.40 ppm):
    2 diagonal assignments:
    *     HG3   GLU-  36 - HG3   GLU-  36  (1.00)  kept
          QB    MET   11 - QB    MET   11  (0.05)  kept
 
    Peak 338 (4.42, 4.42, 58.68 ppm):
    3 diagonal assignments:
    *     HA    SER   37 - HA    SER   37  (1.00)  kept
          HA    THR   46 - HA    THR   46  (0.98)  kept
          HA    SER   13 - HA    SER   13  (0.30)  kept
 
    Peak 339 (4.03, 4.42, 58.68 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.58, residual support = 26.7:
    * O T HB2   SER   37 - HA    SER   37   2.73 +/- 0.13  99.047% * 98.0025% (1.00  10.0 10.00   2.58  26.70) = 100.000%  kept
          HA    LYS+  33 - HA    SER   37   6.11 +/- 0.25   0.846% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   37 - HA    SER   13  14.51 +/- 3.38   0.010% *  0.5237% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    SER   13  10.53 +/- 0.93   0.044% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   37  10.68 +/- 1.23   0.034% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   13  14.41 +/- 2.28   0.008% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   37 - HA    THR   46  24.92 +/- 0.55   0.000% *  0.9710% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    SER   37  17.61 +/- 2.12   0.002% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    THR   46  16.70 +/- 1.28   0.002% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    THR   46  19.53 +/- 1.62   0.001% *  0.0811% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   13  16.05 +/- 3.72   0.005% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    THR   46  19.23 +/- 0.81   0.001% *  0.0473% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   37  27.61 +/- 1.58   0.000% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    THR   46  24.29 +/- 0.90   0.000% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   13  27.47 +/- 1.35   0.000% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (3.88, 4.42, 58.68 ppm):
    18 chemical-shift based assignments, quality = 0.573, support = 2.23, residual support = 16.4:
      O T QB    SER   13 - HA    SER   13   2.47 +/- 0.11  72.593% * 28.4793% (0.35  10.0 10.00   1.93   7.40) =  53.570%  kept
    * O T HB3   SER   37 - HA    SER   37   2.95 +/- 0.15  26.037% * 68.8149% (0.84  10.0 10.00   2.58  26.70) =  46.427%  kept
          HA    ILE   89 - HA    THR   46   9.05 +/- 2.22   0.990% *  0.0682% (0.83   1.0  1.00   0.02   0.02) =   0.002%
          HB    THR   39 - HA    SER   37   6.22 +/- 0.59   0.358% *  0.0566% (0.69   1.0  1.00   0.02   2.76) =   0.001%
        T QB    SER   13 - HA    SER   37  15.16 +/- 3.76   0.005% *  0.5330% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    SER   13  14.67 +/- 3.39   0.004% *  0.3677% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  14.61 +/- 1.53   0.002% *  0.0815% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  14.59 +/- 3.09   0.005% *  0.0302% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  15.06 +/- 2.23   0.004% *  0.0278% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  22.92 +/- 2.51   0.000% *  0.5281% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  24.48 +/- 0.84   0.000% *  0.6818% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.19 +/- 0.96   0.000% *  0.0561% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  24.79 +/- 1.71   0.000% *  0.0822% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  29.02 +/- 2.28   0.000% *  0.0688% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  26.98 +/- 1.83   0.000% *  0.0439% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  25.43 +/- 2.13   0.000% *  0.0281% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  30.90 +/- 3.89   0.000% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  27.43 +/- 3.47   0.000% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 341 (4.42, 4.03, 64.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.58, residual support = 26.7:
    * O T HA    SER   37 - HB2   SER   37   2.73 +/- 0.13  99.807% * 98.1694% (1.00  10.0 10.00   2.58  26.70) = 100.000%  kept
        T HA    SER   13 - HB2   SER   37  14.51 +/- 3.38   0.010% *  0.5558% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   SER   37   8.18 +/- 0.22   0.152% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   SER   37  12.64 +/- 2.07   0.020% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   SER   37  13.24 +/- 0.36   0.008% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   SER   37  16.79 +/- 1.41   0.002% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB2   SER   37  24.92 +/- 0.55   0.000% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   SER   37  24.45 +/- 1.71   0.000% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 342 (4.03, 4.03, 64.19 ppm):
    1 diagonal assignment:
    *     HB2   SER   37 - HB2   SER   37  (1.00)  kept
 
    Peak 343 (3.88, 4.03, 64.19 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 26.7:
    * O T HB3   SER   37 - HB2   SER   37   1.75 +/- 0.00  96.656% * 98.8953% (0.84  10.0 10.00   2.00  26.70) =  99.997%  kept
          HB    THR   39 - HB2   SER   37   3.94 +/- 0.76   3.342% *  0.0813% (0.69   1.0  1.00   0.02   2.76) =   0.003%
        T QB    SER   13 - HB2   SER   37  13.49 +/- 3.60   0.002% *  0.7659% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   37  22.76 +/- 1.69   0.000% *  0.1181% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   37  27.40 +/- 2.19   0.000% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   SER   37  24.29 +/- 2.09   0.000% *  0.0404% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 344 (4.42, 3.88, 64.19 ppm):
    16 chemical-shift based assignments, quality = 0.576, support = 2.23, residual support = 16.1:
      O T HA    SER   13 - QB    SER   13   2.47 +/- 0.11  73.406% * 29.4827% (0.36  10.0 10.00   1.93   7.40) =  54.739%  kept
    * O T HA    SER   37 - HB3   SER   37   2.95 +/- 0.15  26.296% * 68.0513% (0.84  10.0 10.00   2.58  26.70) =  45.261%  kept
          HA    GLU-  15 - QB    SER   13   7.00 +/- 0.76   0.206% *  0.0295% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QB    SER   13  15.16 +/- 3.76   0.005% *  0.5208% (0.64   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  14.67 +/- 3.39   0.005% *  0.3853% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   SER   37   8.40 +/- 0.35   0.051% *  0.0255% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    SER   13  10.56 +/- 1.07   0.016% *  0.0521% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   SER   37  12.95 +/- 2.05   0.008% *  0.0385% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   SER   37  13.06 +/- 0.51   0.004% *  0.0413% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  22.92 +/- 2.51   0.000% *  0.5161% (0.63   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  17.02 +/- 1.39   0.001% *  0.0681% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  24.48 +/- 0.84   0.000% *  0.6745% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  17.11 +/- 2.63   0.001% *  0.0195% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    SER   13  17.81 +/- 2.00   0.001% *  0.0316% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  20.14 +/- 1.50   0.000% *  0.0274% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  24.77 +/- 1.79   0.000% *  0.0358% (0.44   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 345 (4.03, 3.88, 64.19 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 26.7:
    * O T HB2   SER   37 - HB3   SER   37   1.75 +/- 0.00  99.635% * 98.1382% (0.84  10.0 10.00   2.00  26.70) = 100.000%  kept
          HA    LYS+  33 - HB3   SER   37   4.64 +/- 0.52   0.345% *  0.0218% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   37   8.82 +/- 1.29   0.010% *  0.4777% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   37 - QB    SER   13  13.49 +/- 3.60   0.002% *  0.7510% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QB    SER   13   9.47 +/- 1.30   0.007% *  0.0627% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - QB    SER   13  13.30 +/- 2.29   0.001% *  0.3655% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB3   SER   37  15.55 +/- 2.02   0.000% *  0.0820% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    SER   13  14.97 +/- 3.83   0.001% *  0.0167% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    SER   13  24.59 +/- 1.21   0.000% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   37  25.90 +/- 1.53   0.000% *  0.0478% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 346 (3.88, 3.88, 64.19 ppm):
    2 diagonal assignments:
    *     HB3   SER   37 - HB3   SER   37  (0.70)  kept
          QB    SER   13 - QB    SER   13  (0.41)  kept
 
    Peak 347 (3.78, 3.78, 58.04 ppm):
    2 diagonal assignments:
    *     HA    LYS+  38 - HA    LYS+  38  (1.00)  kept
          HA    GLU- 100 - HA    GLU- 100  (0.01)  kept
 
    Peak 348 (2.18, 3.78, 58.04 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.59, residual support = 219.2:
    * O T HB2   LYS+  38 - HA    LYS+  38   2.90 +/- 0.15  98.354% * 99.6880% (1.00  10.0 10.00   6.59 219.19) =  99.999%  kept
        T HB2   LYS+  38 - HA    GLU- 100   6.24 +/- 1.07   1.584% *  0.0602% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HA    LYS+  38  11.86 +/- 0.82   0.023% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    LYS+  38  16.20 +/- 0.70   0.003% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  38  14.37 +/- 0.44   0.007% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  17.68 +/- 1.50   0.002% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  20.13 +/- 0.41   0.001% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  12.76 +/- 1.27   0.017% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU- 100  17.76 +/- 1.66   0.002% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU- 100  16.27 +/- 1.63   0.004% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  38  30.57 +/- 1.35   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  19.33 +/- 1.41   0.001% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  21.12 +/- 1.58   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU- 100  29.10 +/- 2.02   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 349 (1.88, 3.78, 58.04 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.9, residual support = 219.2:
    * O T HB3   LYS+  38 - HA    LYS+  38   2.67 +/- 0.13  95.629% * 98.2125% (1.00  10.0 10.00   5.90 219.19) =  99.997%  kept
        T HB3   LYS+  38 - HA    GLU- 100   5.10 +/- 1.07   4.097% *  0.0593% (0.06   1.0 10.00   0.02   0.02) =   0.003%
          QB    LYS+  33 - HA    LYS+  38   7.82 +/- 0.36   0.162% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  38  11.69 +/- 0.67   0.015% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  38  15.46 +/- 1.38   0.003% *  0.2187% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  38  16.34 +/- 0.85   0.002% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  38  14.25 +/- 0.69   0.004% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLU- 100  10.38 +/- 1.42   0.040% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    LYS+  38  27.15 +/- 1.62   0.000% *  0.6353% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  38  16.23 +/- 0.86   0.002% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU- 100  13.04 +/- 1.67   0.010% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU- 100  10.92 +/- 0.30   0.021% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU- 100  14.17 +/- 0.60   0.005% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  38  30.66 +/- 2.81   0.000% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  38  26.00 +/- 1.80   0.000% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+  38  25.30 +/- 1.79   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU- 100  14.13 +/- 0.38   0.005% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  38  27.81 +/- 0.82   0.000% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    GLU- 100  26.89 +/- 2.20   0.000% *  0.0384% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU- 100  16.68 +/- 2.23   0.002% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  38  29.96 +/- 1.42   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU- 100  24.97 +/- 2.05   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLU- 100  24.88 +/- 2.81   0.000% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU- 100  26.07 +/- 0.78   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU- 100  28.41 +/- 2.06   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU- 100  30.17 +/- 3.15   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 350 (1.32, 3.78, 58.04 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.91, residual support = 219.2:
    * O T HG2   LYS+  38 - HA    LYS+  38   2.59 +/- 0.52  91.410% * 98.4430% (1.00  10.0 10.00   6.92 219.19) =  99.988%  kept
        T HG2   LYS+  99 - HA    LYS+  38   6.36 +/- 0.70   0.703% *  0.9649% (0.98   1.0 10.00   0.02   0.02) =   0.008%
        T HG2   LYS+  99 - HA    GLU- 100   4.65 +/- 0.44   4.962% *  0.0583% (0.06   1.0 10.00   0.02  39.58) =   0.003%
        T HG2   LYS+  38 - HA    GLU- 100   5.33 +/- 1.13   2.048% *  0.0595% (0.06   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    LYS+  38  10.17 +/- 0.28   0.041% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  38  10.20 +/- 1.41   0.107% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU- 100   7.99 +/- 1.33   0.676% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    GLU- 100  10.54 +/- 1.66   0.038% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  38  16.91 +/- 4.47   0.004% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  38  18.63 +/- 1.09   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  38  19.29 +/- 0.48   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  38  22.83 +/- 1.89   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  38  20.96 +/- 1.28   0.000% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  38  22.96 +/- 2.44   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  38  29.45 +/- 2.32   0.000% *  0.0788% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU- 100  16.76 +/- 3.93   0.004% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU- 100  18.44 +/- 1.12   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    GLU- 100  21.25 +/- 2.56   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    GLU- 100  18.81 +/- 1.24   0.001% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    GLU- 100  20.27 +/- 2.06   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    GLU- 100  22.65 +/- 3.75   0.000% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU- 100  27.39 +/- 2.47   0.000% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 1 structures by 0.10 A, kept.
 
    Peak 351 (1.26, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 6.6, residual support = 218.1:
    * O T HG3   LYS+  38 - HA    LYS+  38   2.92 +/- 0.69  71.140% * 81.6830% (1.00  10.0 10.00   6.61 219.19) =  99.411%  kept
          QG2   THR   39 - HA    LYS+  38   5.65 +/- 0.37   1.880% * 17.5650% (0.90   1.0  1.00   4.80  27.94) =   0.565%  kept
          QB    ALA   34 - HA    LYS+  38   4.43 +/- 0.11   8.479% *  0.0654% (0.80   1.0  1.00   0.02   0.02) =   0.009%
        T HG3   LYS+  99 - HA    LYS+  38   6.48 +/- 1.07   1.324% *  0.3066% (0.38   1.0 10.00   0.02   0.02) =   0.007%
        T HG3   LYS+  38 - HA    GLU- 100   5.06 +/- 1.58   6.479% *  0.0494% (0.06   1.0 10.00   0.02   0.02) =   0.005%
        T HG3   LYS+  99 - HA    GLU- 100   5.09 +/- 0.49   5.217% *  0.0185% (0.02   1.0 10.00   0.02  39.58) =   0.002%
          QB    ALA   34 - HA    GLU- 100   5.52 +/- 1.39   4.841% *  0.0040% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+  38   8.85 +/- 1.65   0.200% *  0.0252% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    GLU- 100   7.73 +/- 1.20   0.371% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  38  15.51 +/- 1.58   0.005% *  0.0462% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    GLU- 100  10.66 +/- 1.59   0.054% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    LYS+  38  18.48 +/- 0.77   0.002% *  0.0366% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  38  21.05 +/- 1.89   0.001% *  0.0773% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  38  23.09 +/- 1.33   0.000% *  0.0733% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  38  20.76 +/- 1.07   0.001% *  0.0279% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    GLU- 100  17.51 +/- 1.94   0.002% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    GLU- 100  20.26 +/- 2.11   0.001% *  0.0047% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    GLU- 100  21.66 +/- 1.68   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    GLU- 100  19.10 +/- 1.49   0.001% *  0.0022% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    GLU- 100  20.94 +/- 1.29   0.001% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.12 A, kept.
 
    Peak 352 (1.67, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.02, residual support = 219.1:
    *   T QD    LYS+  38 - HA    LYS+  38   3.57 +/- 0.45  74.439% * 97.0123% (1.00 10.00   6.02 219.19) =  99.980%  kept
        T QD    LYS+  38 - HA    GLU- 100   4.54 +/- 0.93  23.892% *  0.0586% (0.06 10.00   0.02   0.02) =   0.019%
          QD    LYS+ 102 - HA    LYS+  38  11.30 +/- 1.51   0.156% *  0.0777% (0.80  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    GLU- 100   7.92 +/- 0.93   1.473% *  0.0047% (0.05  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+  38  20.51 +/- 1.12   0.003% *  0.8955% (0.92 10.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    LYS+  38  21.83 +/- 1.87   0.002% *  0.9362% (0.97 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    LYS+  38  20.18 +/- 1.02   0.003% *  0.3309% (0.34 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  38  19.08 +/- 2.68   0.005% *  0.0870% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+  38  21.33 +/- 3.64   0.004% *  0.0549% (0.57  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    GLU- 100  21.27 +/- 3.14   0.003% *  0.0566% (0.06 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    GLU- 100  21.43 +/- 1.38   0.002% *  0.0541% (0.06 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  38  29.98 +/- 2.19   0.000% *  0.2994% (0.31 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    GLU- 100  20.48 +/- 0.89   0.003% *  0.0200% (0.02 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    GLU- 100  17.36 +/- 2.29   0.009% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  38  26.84 +/- 1.05   0.001% *  0.0588% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    GLU- 100  20.43 +/- 3.12   0.004% *  0.0033% (0.03  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  38  27.23 +/- 0.67   0.000% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    GLU- 100  27.99 +/- 2.40   0.000% *  0.0181% (0.02 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    GLU- 100  25.74 +/- 0.90   0.001% *  0.0036% (0.04  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    GLU- 100  25.59 +/- 0.56   0.001% *  0.0013% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.15 A, kept.
 
    Peak 353 (3.78, 2.18, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.59, residual support = 219.2:
    * O T HA    LYS+  38 - HB2   LYS+  38   2.90 +/- 0.15  98.413% * 99.6785% (1.00  10.0 10.00   6.59 219.19) =  99.996%  kept
        T HA    GLU- 100 - HB2   LYS+  38   6.24 +/- 1.07   1.585% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.004%
          HA    VAL   24 - HB2   LYS+  38  20.06 +/- 0.60   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   LYS+  38  24.41 +/- 2.06   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   LYS+  38  28.92 +/- 2.05   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (2.18, 2.18, 29.57 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  38 - HB2   LYS+  38  (1.00)  kept
 
    Peak 355 (1.88, 2.18, 29.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 219.2:
    * O T HB3   LYS+  38 - HB2   LYS+  38   1.75 +/- 0.00  99.993% * 98.9214% (1.00  10.0 10.00   5.44 219.19) = 100.000%  kept
          QB    LYS+  33 - HB2   LYS+  38   8.86 +/- 0.43   0.006% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   LYS+  38  13.81 +/- 0.70   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LYS+  38  15.36 +/- 1.30   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   LYS+  38  18.40 +/- 0.85   0.000% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LYS+  38  16.56 +/- 0.78   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LYS+  38  17.88 +/- 0.88   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB2   LYS+  38  32.67 +/- 1.37   0.000% *  0.4815% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LYS+  38  27.81 +/- 1.95   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LYS+  38  27.65 +/- 1.65   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   LYS+  38  28.42 +/- 1.56   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   LYS+  38  30.26 +/- 0.81   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LYS+  38  32.54 +/- 2.78   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (1.32, 2.18, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 219.2:
    * O T HG2   LYS+  38 - HB2   LYS+  38   2.64 +/- 0.19  99.721% * 98.5858% (1.00  10.0 10.00   6.08 219.19) =  99.998%  kept
        T HG2   LYS+  99 - HB2   LYS+  38   7.49 +/- 0.75   0.252% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - HB2   LYS+  38  12.73 +/- 0.31   0.008% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+  38  12.78 +/- 1.46   0.013% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  38  16.65 +/- 4.70   0.004% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  38  19.96 +/- 1.10   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  38  25.17 +/- 1.84   0.000% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  38  21.45 +/- 0.47   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  38  23.08 +/- 1.20   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  38  25.53 +/- 2.26   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  38  31.41 +/- 2.25   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 357 (1.26, 2.18, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 219.2:
    * O T HG3   LYS+  38 - HB2   LYS+  38   2.70 +/- 0.39  97.912% * 99.1122% (1.00  10.0 10.00   5.76 219.19) =  99.997%  kept
        T HG3   LYS+  99 - HB2   LYS+  38   7.65 +/- 1.08   0.369% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HB2   LYS+  38   6.09 +/- 0.32   1.010% *  0.0889% (0.90   1.0  1.00   0.02  27.94) =   0.001%
          QB    ALA   34 - HB2   LYS+  38   6.52 +/- 0.12   0.648% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HB2   LYS+  38  10.32 +/- 1.50   0.057% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  38  16.63 +/- 1.64   0.003% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  38  22.62 +/- 1.97   0.001% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB2   LYS+  38  20.34 +/- 0.67   0.001% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  38  25.26 +/- 1.32   0.000% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  38  22.84 +/- 1.06   0.000% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 359 (3.78, 1.88, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.9, residual support = 219.2:
    * O T HA    LYS+  38 - HB3   LYS+  38   2.67 +/- 0.13  95.891% * 99.5407% (1.00  10.0 10.00   5.90 219.19) =  99.990%  kept
        T HA    GLU- 100 - HB3   LYS+  38   5.10 +/- 1.07   4.108% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.010%
          HA    VAL   24 - HB3   LYS+  38  19.94 +/- 0.70   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   LYS+  38  27.90 +/- 2.14   0.000% *  0.1536% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   LYS+  38  23.94 +/- 2.12   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (2.18, 1.88, 29.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 219.2:
    * O T HB2   LYS+  38 - HB3   LYS+  38   1.75 +/- 0.00  99.999% * 99.2933% (1.00  10.0 10.00   5.44 219.19) = 100.000%  kept
          HB    VAL   70 - HB3   LYS+  38  11.88 +/- 0.84   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   LYS+  38  18.67 +/- 0.76   0.000% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   LYS+  38  16.76 +/- 0.48   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   LYS+  38  18.27 +/- 1.38   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB3   LYS+  38  32.42 +/- 1.28   0.000% *  0.5224% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   LYS+  38  22.58 +/- 0.40   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 361 (1.88, 1.88, 29.57 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  38 - HB3   LYS+  38  (1.00)  kept
 
    Peak 362 (1.32, 1.88, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 219.1:
    * O T HG2   LYS+  38 - HB3   LYS+  38   2.99 +/- 0.07  97.158% * 98.5858% (1.00  10.0 10.00   5.63 219.19) =  99.972%  kept
        T HG2   LYS+  99 - HB3   LYS+  38   5.83 +/- 0.77   2.758% *  0.9663% (0.98   1.0 10.00   0.02   0.02) =   0.028%
          HB2   LEU   31 - HB3   LYS+  38  12.76 +/- 0.29   0.017% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+  38  11.62 +/- 1.47   0.045% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  38  15.65 +/- 4.67   0.018% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  38  18.95 +/- 1.10   0.002% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  38  20.64 +/- 0.51   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  38  24.46 +/- 1.89   0.000% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  38  22.49 +/- 1.21   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  38  25.20 +/- 2.34   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  38  29.99 +/- 2.33   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 363 (1.26, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.39, residual support = 219.2:
    * O T HG3   LYS+  38 - HB3   LYS+  38   2.68 +/- 0.15  96.944% * 98.2829% (1.00  10.0 10.00   5.39 219.19) =  99.993%  kept
        T HG3   LYS+  99 - HB3   LYS+  38   6.00 +/- 1.07   1.611% *  0.3689% (0.38   1.0 10.00   0.02   0.02) =   0.006%
          QG2   THR   39 - HB3   LYS+  38   6.01 +/- 0.25   0.813% *  0.0881% (0.90   1.0  1.00   0.02  27.94) =   0.001%
          QB    ALA   34 - HB3   LYS+  38   6.34 +/- 0.14   0.583% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB3   LYS+  38  10.15 +/- 1.45   0.046% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - HB3   LYS+  38  21.70 +/- 2.02   0.000% *  0.9297% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB3   LYS+  38  16.74 +/- 1.62   0.002% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB3   LYS+  38  20.42 +/- 0.70   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB3   LYS+  38  24.42 +/- 1.37   0.000% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB3   LYS+  38  22.33 +/- 1.09   0.000% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 364 (1.67, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 219.2:
    * O T QD    LYS+  38 - HB3   LYS+  38   2.21 +/- 0.15  99.988% * 98.0597% (1.00  10.0 10.00   4.63 219.19) = 100.000%  kept
          QD    LYS+ 102 - HB3   LYS+  38  11.70 +/- 1.74   0.011% *  0.0785% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LYS+  38  20.50 +/- 1.03   0.000% *  0.9052% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB3   LYS+  38  21.63 +/- 1.08   0.000% *  0.3345% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB3   LYS+  38  18.72 +/- 2.78   0.000% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LYS+  38  20.42 +/- 3.83   0.000% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+  38  24.06 +/- 1.78   0.000% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LYS+  38  30.49 +/- 2.07   0.000% *  0.3027% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+  38  28.01 +/- 1.04   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LYS+  38  28.49 +/- 0.76   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 365 (3.78, 1.32, 25.69 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.91, residual support = 219.2:
    * O T HA    LYS+  38 - HG2   LYS+  38   2.59 +/- 0.52  92.081% * 99.3217% (1.00  10.0 10.00   6.92 219.19) =  99.990%  kept
        T HA    GLU- 100 - HG2   LYS+  38   5.33 +/- 1.13   2.062% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.005%
        T HA    GLU- 100 - HG2   LYS+  99   4.65 +/- 0.44   5.139% *  0.0603% (0.06   1.0 10.00   0.02  39.58) =   0.003%
        T HA    LYS+  38 - HG2   LYS+  99   6.36 +/- 0.70   0.716% *  0.2707% (0.27   1.0 10.00   0.02   0.02) =   0.002%
          HA    VAL   24 - HG2   LYS+  38  19.51 +/- 0.60   0.001% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   LYS+  99  19.31 +/- 1.07   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  38  23.57 +/- 2.37   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  99  24.19 +/- 2.79   0.001% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  99  22.08 +/- 2.56   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  38  29.36 +/- 2.21   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.02 A, kept.
 
    Peak 366 (2.18, 1.32, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 219.2:
    * O T HB2   LYS+  38 - HG2   LYS+  38   2.64 +/- 0.19  99.683% * 99.4277% (1.00  10.0 10.00   6.08 219.19) =  99.999%  kept
        T HB2   LYS+  38 - HG2   LYS+  99   7.49 +/- 0.75   0.252% *  0.2710% (0.27   1.0 10.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HG2   LYS+  99  10.10 +/- 1.16   0.047% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  38  13.58 +/- 1.54   0.010% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  38  17.55 +/- 0.77   0.001% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  38  15.69 +/- 0.60   0.002% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  38  19.19 +/- 2.18   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  38  21.78 +/- 0.49   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  99  20.32 +/- 1.07   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  99  18.08 +/- 1.34   0.001% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  99  18.82 +/- 0.78   0.001% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  99  23.20 +/- 0.78   0.000% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  38  32.61 +/- 1.48   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  99  29.15 +/- 1.37   0.000% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 367 (1.88, 1.32, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.63, residual support = 219.2:
    * O T HB3   LYS+  38 - HG2   LYS+  38   2.99 +/- 0.07  96.911% * 98.9095% (1.00  10.0 10.00   5.63 219.19) =  99.992%  kept
        T HB3   LYS+  38 - HG2   LYS+  99   5.83 +/- 0.77   2.752% *  0.2696% (0.27   1.0 10.00   0.02   0.02) =   0.008%
          QB    LYS+  33 - HG2   LYS+  38   8.96 +/- 0.36   0.141% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  38  13.63 +/- 0.68   0.012% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  99  10.54 +/- 0.60   0.056% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  99  10.99 +/- 0.56   0.042% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  99  12.77 +/- 0.53   0.017% *  0.0163% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   LYS+  99  12.19 +/- 0.93   0.024% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  99  14.59 +/- 0.87   0.008% *  0.0255% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  99  13.33 +/- 2.14   0.022% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  38  18.03 +/- 0.97   0.002% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  38  15.72 +/- 0.89   0.005% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  38  16.63 +/- 1.98   0.005% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  38  17.89 +/- 1.09   0.002% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  99  22.47 +/- 2.54   0.001% *  0.0260% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  38  28.04 +/- 1.88   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  38  26.98 +/- 1.94   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  99  23.85 +/- 2.20   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  38  29.03 +/- 1.81   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  38  29.88 +/- 1.02   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  99  24.95 +/- 0.63   0.000% *  0.0225% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  99  26.04 +/- 1.91   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  38  32.00 +/- 1.52   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  38  32.74 +/- 2.80   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  99  28.51 +/- 1.43   0.000% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  99  28.26 +/- 3.20   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 368 (1.32, 1.32, 25.69 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  38 - HG2   LYS+  38  (1.00)  kept
          HG2   LYS+  99 - HG2   LYS+  99  (0.27)  kept
 
    Peak 369 (1.26, 1.32, 25.69 ppm):
    20 chemical-shift based assignments, quality = 0.917, support = 6.44, residual support = 214.7:
    * O T HG3   LYS+  38 - HG2   LYS+  38   1.75 +/- 0.00  49.940% * 89.3422% (1.00  10.0 10.00   6.43 219.19) =  90.720%  kept
      O T HG3   LYS+  99 - HG2   LYS+  99   1.75 +/- 0.00  49.940% *  9.1383% (0.10  10.0 10.00   6.60 171.04) =   9.279%  kept
        T HG3   LYS+  38 - HG2   LYS+  99   7.00 +/- 1.13   0.026% *  0.2435% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+  38   7.77 +/- 1.12   0.011% *  0.3353% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG2   LYS+  38   6.94 +/- 0.86   0.024% *  0.0801% (0.90   1.0  1.00   0.02  27.94) =   0.000%
          QB    ALA   34 - HG2   LYS+  38   6.31 +/- 0.25   0.024% *  0.0715% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG2   LYS+  99   7.12 +/- 0.90   0.016% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HG2   LYS+  99   7.04 +/- 0.78   0.016% *  0.0195% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  38  10.91 +/- 1.79   0.001% *  0.0276% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  99  10.43 +/- 1.64   0.002% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  99  18.34 +/- 2.41   0.000% *  0.0230% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  38  17.32 +/- 1.72   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  38  22.93 +/- 1.14   0.000% *  0.3048% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  99  20.28 +/- 1.36   0.000% *  0.0831% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  38  22.78 +/- 1.98   0.000% *  0.0845% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  38  20.03 +/- 0.82   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  99  17.11 +/- 1.52   0.000% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  38  24.83 +/- 1.46   0.000% *  0.0801% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  99  21.28 +/- 1.62   0.000% *  0.0218% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  99  20.35 +/- 0.80   0.000% *  0.0109% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 370 (1.67, 1.32, 25.69 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 219.2:
    * O T QD    LYS+  38 - HG2   LYS+  38   2.41 +/- 0.16  98.646% * 96.4250% (1.00  10.0 10.00   5.75 219.19) =  99.996%  kept
        T QD    LYS+  38 - HG2   LYS+  99   5.62 +/- 1.06   1.164% *  0.2628% (0.27   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+ 102 - HG2   LYS+  99   8.42 +/- 1.42   0.165% *  0.2104% (0.22   1.0 10.00   0.02   1.82) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  38  11.93 +/- 1.69   0.015% *  0.7721% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  38  21.95 +/- 1.81   0.000% *  0.8901% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  99  18.86 +/- 1.57   0.001% *  0.2426% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  99  13.60 +/- 2.33   0.005% *  0.0236% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  38  22.33 +/- 1.28   0.000% *  0.3289% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  99  19.63 +/- 0.93   0.000% *  0.0896% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  99  16.21 +/- 3.09   0.002% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  38  20.59 +/- 2.91   0.000% *  0.0865% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  38  22.56 +/- 3.91   0.000% *  0.0546% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  38  23.82 +/- 1.96   0.000% *  0.0931% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  99  25.49 +/- 2.15   0.000% *  0.0811% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  38  31.79 +/- 2.31   0.000% *  0.2976% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  99  22.31 +/- 2.28   0.000% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  38  28.97 +/- 1.33   0.000% *  0.0585% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  99  24.16 +/- 0.92   0.000% *  0.0159% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  38  29.31 +/- 0.88   0.000% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  99  24.29 +/- 0.43   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (3.78, 1.26, 25.69 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 219.1:
    * O T HA    LYS+  38 - HG3   LYS+  38   2.92 +/- 0.69  83.722% * 99.5416% (1.00  10.0 10.00   6.61 219.19) =  99.977%  kept
        T HA    GLU- 100 - HG3   LYS+  38   5.06 +/- 1.58   7.106% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.019%
        T HA    LYS+  38 - HG3   LYS+  99   6.48 +/- 1.07   1.772% *  0.1039% (0.10   1.0 10.00   0.02   0.02) =   0.002%
        T HA    GLU- 100 - HG3   LYS+  99   5.09 +/- 0.49   7.395% *  0.0231% (0.02   1.0 10.00   0.02  39.58) =   0.002%
          HA    VAL   24 - HG3   LYS+  38  20.01 +/- 1.04   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   LYS+  99  19.15 +/- 1.47   0.002% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  38  23.91 +/- 2.68   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  38  29.25 +/- 2.65   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  99  21.92 +/- 2.44   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  99  23.87 +/- 2.85   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.07 A, kept.
 
    Peak 372 (2.18, 1.26, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 219.2:
    * O T HB2   LYS+  38 - HG3   LYS+  38   2.70 +/- 0.39  99.462% * 99.6340% (1.00  10.0 10.00   5.76 219.19) = 100.000%  kept
        T HB2   LYS+  38 - HG3   LYS+  99   7.65 +/- 1.08   0.378% *  0.1040% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  99   9.75 +/- 1.38   0.138% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  38  13.54 +/- 1.47   0.012% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  38  18.31 +/- 0.78   0.001% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  38  16.47 +/- 0.64   0.003% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  38  19.42 +/- 2.07   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  38  22.45 +/- 0.74   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  99  20.25 +/- 1.27   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  99  17.80 +/- 1.71   0.002% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  99  18.77 +/- 1.03   0.001% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  38  32.77 +/- 1.84   0.000% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  99  23.07 +/- 1.11   0.000% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  99  28.89 +/- 1.54   0.000% *  0.0055% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 373 (1.88, 1.26, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.39, residual support = 219.2:
    * O T HB3   LYS+  38 - HG3   LYS+  38   2.68 +/- 0.15  98.205% * 98.2474% (1.00  10.0 10.00   5.39 219.19) =  99.998%  kept
        T HB3   LYS+  38 - HG3   LYS+  99   6.00 +/- 1.07   1.634% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+  33 - HG3   LYS+  38   9.63 +/- 0.39   0.049% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  38  14.21 +/- 0.85   0.005% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  38  27.91 +/- 2.30   0.000% *  0.9482% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  99  10.57 +/- 0.75   0.032% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  99  10.80 +/- 0.55   0.025% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  38  15.46 +/- 1.55   0.003% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  38  17.85 +/- 1.30   0.001% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  99  12.62 +/- 0.66   0.010% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  99  12.14 +/- 1.23   0.014% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  38  16.38 +/- 1.92   0.003% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  99  22.14 +/- 2.57   0.001% *  0.0989% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  99  14.43 +/- 1.23   0.005% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  38  17.51 +/- 1.27   0.001% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  99  13.13 +/- 2.33   0.011% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  38  27.37 +/- 2.19   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  38  28.88 +/- 2.18   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  38  29.88 +/- 1.22   0.000% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  99  23.56 +/- 2.30   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  38  32.15 +/- 1.91   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  99  24.70 +/- 0.76   0.000% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  38  32.78 +/- 3.24   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  99  25.85 +/- 1.83   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  99  28.25 +/- 1.49   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  99  27.83 +/- 3.34   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 374 (1.32, 1.26, 25.69 ppm):
    22 chemical-shift based assignments, quality = 0.917, support = 6.44, residual support = 214.7:
    * O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  49.975% * 89.3736% (1.00  10.0 10.00   6.43 219.19) =  90.720%  kept
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  49.975% *  9.1415% (0.10  10.0 10.00   6.60 171.04) =   9.279%  kept
        T HG2   LYS+  99 - HG3   LYS+  38   7.00 +/- 1.13   0.026% *  0.8760% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG3   LYS+  99   7.77 +/- 1.12   0.011% *  0.0933% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.44 +/- 1.00   0.000% *  0.0649% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   8.10 +/- 1.18   0.010% *  0.0014% (0.02   1.0  1.00   0.02  17.66) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  12.12 +/- 1.74   0.001% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  17.11 +/- 4.84   0.000% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  13.06 +/- 3.93   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  13.30 +/- 0.91   0.000% *  0.0068% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  20.47 +/- 1.75   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  15.24 +/- 1.60   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  24.50 +/- 2.28   0.000% *  0.0747% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  24.79 +/- 2.58   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  21.59 +/- 1.00   0.000% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  22.91 +/- 1.58   0.000% *  0.0401% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  25.36 +/- 2.86   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.38 +/- 1.31   0.000% *  0.0032% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  21.66 +/- 2.18   0.000% *  0.0078% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  31.05 +/- 2.74   0.000% *  0.0716% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  19.91 +/- 1.54   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  23.47 +/- 2.77   0.000% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 375 (1.26, 1.26, 25.69 ppm):
    2 diagonal assignments:
    *     HG3   LYS+  38 - HG3   LYS+  38  (1.00)  kept
          HG3   LYS+  99 - HG3   LYS+  99  (0.04)  kept
 
    Peak 376 (1.67, 1.26, 25.69 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.41, residual support = 219.2:
    * O T QD    LYS+  38 - HG3   LYS+  38   2.35 +/- 0.16  98.421% * 97.6899% (1.00  10.0 10.00   5.41 219.19) =  99.998%  kept
        T QD    LYS+  38 - HG3   LYS+  99   5.92 +/- 1.16   1.455% *  0.1019% (0.10   1.0 10.00   0.02   0.02) =   0.002%
        T QD    LYS+ 102 - HG3   LYS+  99   8.67 +/- 1.57   0.097% *  0.0816% (0.08   1.0 10.00   0.02   1.82) =   0.000%
          QD    LYS+ 102 - HG3   LYS+  38  11.60 +/- 2.12   0.019% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  38  21.91 +/- 1.53   0.000% *  0.9018% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  99  18.60 +/- 1.60   0.000% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  38  22.59 +/- 1.24   0.000% *  0.3332% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  99  13.43 +/- 2.51   0.005% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  38  20.12 +/- 2.93   0.000% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  99  19.31 +/- 1.21   0.000% *  0.0348% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  38  22.07 +/- 4.09   0.000% *  0.0553% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  99  16.01 +/- 3.27   0.002% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  38  24.17 +/- 2.30   0.000% *  0.0943% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  38  31.56 +/- 2.51   0.000% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  99  25.32 +/- 2.50   0.000% *  0.0315% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  38  28.98 +/- 1.20   0.000% *  0.0593% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  99  22.11 +/- 2.13   0.000% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  99  23.88 +/- 1.08   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  38  29.29 +/- 1.17   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  99  24.04 +/- 0.80   0.000% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 377 (3.78, 1.67, 29.90 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 6.02, residual support = 219.0:
    *   T HA    LYS+  38 - QD    LYS+  38   3.57 +/- 0.45  75.230% * 98.6212% (1.00 10.00   6.02 219.19) =  99.928%  kept
        T HA    GLU- 100 - QD    LYS+  38   4.54 +/- 0.93  24.250% *  0.2196% (0.22 10.00   0.02   0.02) =   0.072%
        T HD2   PRO   58 - QD    LYS+  65  10.98 +/- 1.22   0.210% *  0.0278% (0.03 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   LYS+  74  12.65 +/- 2.29   0.098% *  0.0334% (0.03 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+  74  11.24 +/- 1.21   0.103% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - HD2   LYS+  74  13.91 +/- 1.63   0.032% *  0.0428% (0.04 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+  74  20.18 +/- 1.02   0.003% *  0.2163% (0.22 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - QD    LYS+  65  20.51 +/- 1.12   0.003% *  0.1802% (0.18 10.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  38  22.16 +/- 2.19   0.002% *  0.1952% (0.20 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  38  18.90 +/- 0.71   0.004% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+  74  20.48 +/- 0.89   0.003% *  0.0481% (0.05 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - QD    LYS+  38  26.20 +/- 1.89   0.001% *  0.1522% (0.15 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - QD    LYS+  65  21.43 +/- 1.38   0.002% *  0.0401% (0.04 10.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD2   LYS+ 111  13.30 +/- 2.02   0.053% *  0.0011% (0.01  1.00   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  65  23.46 +/- 1.58   0.001% *  0.0357% (0.04 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  65  20.57 +/- 2.19   0.003% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+ 111  29.98 +/- 2.19   0.000% *  0.0742% (0.08 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+ 111  27.99 +/- 2.40   0.000% *  0.0165% (0.02 10.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+ 111  26.03 +/- 2.76   0.001% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   LYS+ 111  23.70 +/- 2.95   0.001% *  0.0015% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 378 (2.18, 1.67, 29.90 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.07, residual support = 219.2:
    * O   HB2   LYS+  38 - QD    LYS+  38   2.79 +/- 0.35  84.843% * 99.6020% (1.00  10.0   5.07 219.19) =  99.999%  kept
          QG    GLN   17 - QD    LYS+  65   6.75 +/- 2.98  14.947% *  0.0045% (0.05   1.0   0.02   0.02) =   0.001%
          QG    GLN   17 - HD2   LYS+  74   9.52 +/- 1.62   0.105% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  38  12.16 +/- 1.08   0.022% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  65  10.52 +/- 1.04   0.044% *  0.0036% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  38  17.69 +/- 0.74   0.002% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  38  16.07 +/- 0.54   0.003% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+  74  12.90 +/- 1.29   0.015% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - QD    LYS+  38  17.88 +/- 1.66   0.002% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+  74  16.69 +/- 1.00   0.002% *  0.0159% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+  74  14.77 +/- 0.88   0.004% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+  74  17.05 +/- 1.87   0.002% *  0.0115% (0.12   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  38  21.28 +/- 0.48   0.001% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+  74  16.83 +/- 0.98   0.002% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QD    LYS+  65  21.00 +/- 1.12   0.001% *  0.0182% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+  74  22.15 +/- 1.06   0.000% *  0.0218% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+ 111  18.76 +/- 2.69   0.001% *  0.0039% (0.04   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  65  23.08 +/- 2.26   0.000% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  38  29.75 +/- 1.50   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  65  22.28 +/- 2.26   0.000% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  65  25.40 +/- 2.39   0.000% *  0.0096% (0.10   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  65  23.01 +/- 2.31   0.000% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+ 111  23.74 +/- 2.27   0.000% *  0.0019% (0.02   1.0   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+ 111  22.68 +/- 2.01   0.000% *  0.0015% (0.01   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+ 111  31.90 +/- 2.04   0.000% *  0.0075% (0.08   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+ 111  33.02 +/- 2.69   0.000% *  0.0054% (0.05   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+ 111  31.28 +/- 2.97   0.000% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+ 111  33.12 +/- 2.74   0.000% *  0.0026% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 379 (1.88, 1.67, 29.90 ppm):
    52 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 219.2:
    * O T HB3   LYS+  38 - QD    LYS+  38   2.21 +/- 0.15  99.784% * 98.4611% (1.00  10.0 10.00   4.63 219.19) = 100.000%  kept
        T QB    LYS+ 106 - HD2   LYS+ 111  11.53 +/- 2.09   0.015% *  0.0449% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  38   9.78 +/- 0.40   0.014% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  65   8.97 +/- 1.24   0.042% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+ 111  10.37 +/- 2.98   0.035% *  0.0072% (0.07   1.0  1.00   0.02   2.11) =   0.000%
          HB2   MET   92 - HD2   LYS+ 111  10.86 +/- 2.31   0.030% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  38  13.82 +/- 0.76   0.002% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+  74  12.42 +/- 2.25   0.006% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  65   9.23 +/- 1.36   0.027% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   LYS+  74  15.05 +/- 0.90   0.001% *  0.0888% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+  74  11.94 +/- 0.78   0.005% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+  74  12.99 +/- 3.17   0.009% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  38  13.53 +/- 1.00   0.002% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  38  15.83 +/- 1.04   0.001% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  65  13.80 +/- 1.37   0.002% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  38  14.51 +/- 1.54   0.002% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   LYS+  74  13.10 +/- 1.07   0.003% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+  74  13.90 +/- 2.40   0.003% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  38  15.20 +/- 1.07   0.001% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QD    LYS+  65  20.50 +/- 1.03   0.000% *  0.1799% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+  74  14.47 +/- 1.55   0.002% *  0.0180% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+  74  21.63 +/- 1.08   0.000% *  0.2159% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+  74  14.86 +/- 1.54   0.002% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+ 111  14.58 +/- 2.17   0.002% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  65  15.60 +/- 1.82   0.002% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  65  17.91 +/- 1.94   0.000% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  65  16.57 +/- 0.87   0.001% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+  74  17.09 +/- 1.81   0.001% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+  74  16.21 +/- 1.83   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  38  24.95 +/- 1.75   0.000% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  65  16.17 +/- 1.24   0.001% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  65  17.41 +/- 1.94   0.001% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+ 111  15.10 +/- 2.36   0.002% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+  74  16.92 +/- 1.94   0.001% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  38  25.80 +/- 1.46   0.000% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  38  25.25 +/- 1.72   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  38  26.88 +/- 1.07   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+ 111  15.69 +/- 2.00   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  65  20.72 +/- 1.46   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+ 111  18.63 +/- 2.58   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+  74  18.82 +/- 1.15   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+ 111  30.49 +/- 2.07   0.000% *  0.0741% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  38  29.18 +/- 1.50   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  65  23.48 +/- 1.74   0.000% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+ 111  19.68 +/- 3.00   0.000% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  38  29.53 +/- 2.49   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  65  22.04 +/- 1.04   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  65  25.43 +/- 2.19   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+ 111  24.23 +/- 2.77   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+ 111  27.52 +/- 2.58   0.000% *  0.0070% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+ 111  24.80 +/- 2.90   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   LYS+ 111  28.41 +/- 2.14   0.000% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 380 (1.32, 1.67, 29.90 ppm):
    44 chemical-shift based assignments, quality = 0.982, support = 5.76, residual support = 220.9:
    * O T HG2   LYS+  38 - QD    LYS+  38   2.41 +/- 0.16  71.207% * 91.2181% (1.00  10.0 10.00   5.75 219.19) =  98.138%  kept
      O T HG2   LYS+ 111 - HD2   LYS+ 111   2.95 +/- 0.09  22.270% *  5.4974% (0.06  10.0 10.00   6.21 315.37) =   1.850%  kept
        T HG2   LYS+  99 - QD    LYS+  38   5.62 +/- 1.06   0.860% *  0.8941% (0.98   1.0 10.00   0.02   0.02) =   0.012%
          HB3   ASP-  44 - HD2   LYS+  74   5.04 +/- 1.57   5.449% *  0.0068% (0.07   1.0  1.00   0.02   6.11) =   0.001%
          QG2   THR   77 - HD2   LYS+  74   8.19 +/- 1.16   0.061% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.29 +/- 0.67   0.058% *  0.0075% (0.08   1.0  1.00   0.02   1.58) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  12.21 +/- 0.61   0.004% *  0.0662% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  11.00 +/- 1.42   0.015% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+  74   9.93 +/- 1.83   0.023% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+  74  11.65 +/- 2.24   0.014% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  14.59 +/- 4.27   0.005% *  0.0203% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HD2   LYS+  74  19.40 +/- 2.22   0.000% *  0.1602% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  18.86 +/- 1.57   0.000% *  0.1633% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+  74  19.63 +/- 0.93   0.000% *  0.1961% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  20.33 +/- 1.86   0.000% *  0.1334% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  12.30 +/- 1.95   0.008% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  27.48 +/- 2.34   0.000% *  0.7304% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.95 +/- 1.81   0.000% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+  74  22.33 +/- 1.28   0.000% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  14.93 +/- 2.78   0.008% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  13.18 +/- 1.54   0.003% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+  74  15.70 +/- 1.56   0.001% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  18.28 +/- 1.14   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+  74  15.72 +/- 1.03   0.001% *  0.0145% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  22.26 +/- 2.02   0.000% *  0.0762% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  16.21 +/- 2.53   0.004% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  19.74 +/- 0.87   0.000% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  20.96 +/- 1.25   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  16.28 +/- 1.53   0.001% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+  74  14.74 +/- 1.13   0.002% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  23.56 +/- 2.14   0.000% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  17.13 +/- 2.14   0.001% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  25.49 +/- 2.15   0.000% *  0.0673% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  16.43 +/- 1.51   0.001% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  21.52 +/- 1.80   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  22.60 +/- 1.44   0.000% *  0.0139% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+  74  19.64 +/- 2.31   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  21.78 +/- 1.63   0.000% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  31.79 +/- 2.31   0.000% *  0.0687% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.84 +/- 1.37   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  24.39 +/- 3.21   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  20.19 +/- 1.23   0.000% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  21.27 +/- 2.75   0.000% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  28.39 +/- 2.64   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 381 (1.26, 1.67, 29.90 ppm):
    40 chemical-shift based assignments, quality = 0.974, support = 5.41, residual support = 218.3:
    * O T HG3   LYS+  38 - QD    LYS+  38   2.35 +/- 0.16  70.719% * 91.1914% (1.00  10.0 10.00   5.41 219.19) =  97.156%  kept
      O T HG2   LYS+  74 - HD2   LYS+  74   2.80 +/- 0.21  27.615% *  6.8213% (0.07  10.0 10.00   5.54 187.48) =   2.838%  kept
        T HG3   LYS+  99 - QD    LYS+  38   5.92 +/- 1.16   1.093% *  0.3423% (0.38   1.0 10.00   0.02   0.02) =   0.006%
          QG2   THR   39 - QD    LYS+  38   6.85 +/- 0.52   0.145% *  0.0818% (0.90   1.0  1.00   0.02  27.94) =   0.000%
          QB    ALA   34 - QD    LYS+  38   6.78 +/- 0.44   0.142% *  0.0730% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74   9.22 +/- 2.18   0.115% *  0.0189% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+ 111   9.32 +/- 2.29   0.069% *  0.0065% (0.07   1.0  1.00   0.02   2.11) =   0.000%
          HG    LEU   71 - QD    LYS+  38  10.80 +/- 1.39   0.010% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74   9.68 +/- 1.10   0.022% *  0.0113% (0.12   1.0  1.00   0.02   8.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  13.22 +/- 2.22   0.004% *  0.0568% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.79 +/- 2.59   0.015% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+  74  10.37 +/- 1.07   0.012% *  0.0090% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  65  11.39 +/- 0.99   0.006% *  0.0158% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  12.42 +/- 1.37   0.005% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  65  12.56 +/- 1.07   0.004% *  0.0149% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  13.08 +/- 0.99   0.003% *  0.0179% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+  74  12.79 +/- 0.83   0.003% *  0.0160% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.37 +/- 1.11   0.000% *  0.3111% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+ 111  12.21 +/- 2.18   0.007% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  16.69 +/- 1.44   0.001% *  0.0516% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  19.70 +/- 2.92   0.001% *  0.0234% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  18.60 +/- 1.60   0.000% *  0.0625% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+  65  21.91 +/- 1.53   0.000% *  0.1666% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  12.80 +/- 0.85   0.003% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  22.59 +/- 1.24   0.000% *  0.2000% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  19.31 +/- 1.21   0.000% *  0.0751% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.36 +/- 1.78   0.000% *  0.0863% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD    LYS+  65  15.28 +/- 1.11   0.001% *  0.0133% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  38  19.26 +/- 0.76   0.000% *  0.0409% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  14.53 +/- 1.57   0.002% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  22.49 +/- 1.53   0.000% *  0.0818% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  65  18.74 +/- 1.42   0.000% *  0.0149% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  65  18.05 +/- 2.02   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  25.32 +/- 2.50   0.000% *  0.0258% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+ 111  31.56 +/- 2.51   0.000% *  0.0686% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+ 111  22.80 +/- 1.87   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+ 111  23.12 +/- 1.55   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+ 111  24.24 +/- 2.43   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  27.03 +/- 2.32   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.24 +/- 2.33   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 382 (1.67, 1.67, 29.90 ppm):
    4 diagonal assignments:
    *     QD    LYS+  38 - QD    LYS+  38  (1.00)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.17)  kept
          HD2   LYS+  74 - HD2   LYS+  74  (0.07)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 383 (4.27, 4.27, 62.55 ppm):
    2 diagonal assignments:
    *     HA    THR   39 - HA    THR   39  (1.00)  kept
          HA    ILE  103 - HA    ILE  103  (0.24)  kept
 
    Peak 384 (3.86, 4.27, 62.55 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 38.1:
    * O T HB    THR   39 - HA    THR   39   2.96 +/- 0.13  96.308% * 98.6574% (1.00  10.0 10.00   3.00  38.15) =  99.996%  kept
          HB3   SER   37 - HA    THR   39   5.18 +/- 0.27   3.579% *  0.0952% (0.97   1.0  1.00   0.02   2.76) =   0.004%
        T HB    THR   39 - HA    ILE  103  12.71 +/- 0.68   0.017% *  0.3259% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR   39  14.87 +/- 2.99   0.014% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   39  10.84 +/- 0.50   0.043% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ILE  103  12.61 +/- 1.01   0.018% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    ILE  103  24.06 +/- 3.38   0.003% *  0.1006% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ILE  103  15.62 +/- 0.69   0.005% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ILE  103  17.29 +/- 2.71   0.004% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   39  18.70 +/- 1.72   0.002% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ILE  103  20.05 +/- 3.57   0.002% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    THR   39  29.66 +/- 2.73   0.000% *  0.3045% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ILE  103  16.08 +/- 0.90   0.004% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   39  23.78 +/- 1.98   0.000% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   39  25.08 +/- 2.27   0.000% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ILE  103  23.23 +/- 2.51   0.001% *  0.0325% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 385 (1.26, 4.27, 62.55 ppm):
    20 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 38.1:
    * O T QG2   THR   39 - HA    THR   39   2.29 +/- 0.37  95.157% * 97.0314% (0.87  10.0 10.00   3.00  38.15) =  99.997%  kept
          QB    ALA   34 - HA    THR   39   4.68 +/- 0.29   1.867% *  0.0934% (0.84   1.0  1.00   0.02   9.08) =   0.002%
          HG3   LYS+  99 - HA    THR   39   6.12 +/- 1.26   1.695% *  0.0382% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HA    THR   39   6.37 +/- 0.79   0.495% *  0.1116% (1.00   1.0  1.00   0.02  27.94) =   0.001%
          HG    LEU   71 - HA    THR   39   6.18 +/- 1.50   0.631% *  0.0311% (0.28   1.0  1.00   0.02   0.22) =   0.000%
        T QG2   THR   39 - HA    ILE  103  11.20 +/- 0.75   0.015% *  0.3206% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE  103   9.06 +/- 0.53   0.039% *  0.0309% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE  103   8.12 +/- 0.75   0.076% *  0.0126% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    ILE  103  15.56 +/- 1.93   0.001% *  0.3206% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    THR   39  12.38 +/- 1.60   0.006% *  0.0589% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    THR   39  18.01 +/- 0.58   0.001% *  0.5445% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE  103  13.34 +/- 1.48   0.006% *  0.0369% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   39  22.18 +/- 1.26   0.000% *  0.9703% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ILE  103  18.23 +/- 1.41   0.001% *  0.1799% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ILE  103  14.96 +/- 1.67   0.002% *  0.0357% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   39  18.65 +/- 1.95   0.001% *  0.1080% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE  103  12.99 +/- 1.29   0.005% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    THR   39  18.28 +/- 1.12   0.001% *  0.0345% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE  103  18.54 +/- 1.48   0.000% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE  103  17.39 +/- 1.07   0.001% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.01 A, kept.
 
    Peak 386 (4.27, 3.86, 70.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 38.1:
    * O T HA    THR   39 - HB    THR   39   2.96 +/- 0.13  99.969% * 98.7925% (1.00  10.0 10.00   3.00  38.15) = 100.000%  kept
        T HA    ILE  103 - HB    THR   39  12.71 +/- 0.68   0.018% *  0.7174% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB    THR   39  15.12 +/- 0.72   0.006% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    THR   39  18.15 +/- 3.42   0.005% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    THR   39  20.87 +/- 2.13   0.001% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    THR   39  23.87 +/- 1.22   0.000% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    THR   39  24.01 +/- 1.23   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    THR   39  25.64 +/- 1.69   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    THR   39  29.58 +/- 2.99   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.95, residual support = 34.0:
    * O T QG2   THR   39 - HB    THR   39   2.16 +/- 0.02  74.149% * 50.3520% (0.87  10.0 10.00   2.97  38.15) =  85.652%  kept
        T QB    ALA   34 - HB    THR   39   3.17 +/- 0.59  12.895% * 48.4853% (0.84   1.0 10.00   2.86   9.08) =  14.343%  kept
          HG    LEU   71 - HB    THR   39   4.13 +/- 1.98  12.867% *  0.0161% (0.28   1.0  1.00   0.02   0.22) =   0.005%
        T HG3   LYS+  99 - HB    THR   39   8.18 +/- 1.18   0.038% *  0.1980% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB    THR   39   7.81 +/- 0.61   0.042% *  0.0579% (1.00   1.0  1.00   0.02  27.94) =   0.000%
          HG13  ILE   19 - HB    THR   39  10.18 +/- 1.76   0.009% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HB    THR   39  15.79 +/- 0.74   0.000% *  0.2825% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   91 - HB    THR   39  21.27 +/- 1.45   0.000% *  0.5035% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    THR   39  18.22 +/- 1.87   0.000% *  0.0560% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    THR   39  16.45 +/- 1.25   0.000% *  0.0179% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 389 (4.27, 1.26, 21.81 ppm):
    27 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 38.1:
    * O T HA    THR   39 - QG2   THR   39   2.29 +/- 0.37  97.311% * 96.3159% (0.87  10.0 10.00   3.00  38.15) =  99.999%  kept
          HB    THR   77 - QB    ALA   91   6.65 +/- 1.65   1.945% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QG2   THR   23   6.63 +/- 1.30   0.492% *  0.0536% (0.48   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QG2   THR   39  11.20 +/- 0.75   0.017% *  0.6994% (0.63   1.0 10.00   0.02   0.02) =   0.000%
        T HB    THR   77 - QG2   THR   23  10.90 +/- 1.47   0.013% *  0.3278% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    ALA   91  10.72 +/- 2.61   0.079% *  0.0446% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   91   8.74 +/- 0.66   0.047% *  0.0276% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   91  12.29 +/- 2.32   0.025% *  0.0451% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   91   9.51 +/- 1.20   0.032% *  0.0239% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    ALA   91  15.56 +/- 1.93   0.001% *  0.3303% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    ALA   91  12.76 +/- 1.95   0.010% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   39  12.82 +/- 0.53   0.006% *  0.0507% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QG2   THR   23  18.01 +/- 0.58   0.001% *  0.5405% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QG2   THR   23  18.23 +/- 1.41   0.001% *  0.3925% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   23  12.30 +/- 1.45   0.007% *  0.0284% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   23  12.41 +/- 1.31   0.005% *  0.0328% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   39  14.61 +/- 2.84   0.003% *  0.0469% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   39  16.91 +/- 1.81   0.001% *  0.0736% (0.66   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    ALA   91  22.18 +/- 1.26   0.000% *  0.4548% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   23  17.28 +/- 2.12   0.001% *  0.0413% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   39  20.49 +/- 1.10   0.000% *  0.0955% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   23  19.51 +/- 4.19   0.001% *  0.0263% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   THR   39  20.52 +/- 1.04   0.000% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   23  19.68 +/- 2.40   0.000% *  0.0530% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   39  22.33 +/- 1.35   0.000% *  0.0584% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   39  24.54 +/- 2.41   0.000% *  0.0944% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   91  30.31 +/- 3.28   0.000% *  0.0221% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 390 (3.86, 1.26, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 2.97, residual support = 38.1:
    * O T HB    THR   39 - QG2   THR   39   2.16 +/- 0.02  93.165% * 97.9974% (0.87  10.0 10.00   2.97  38.15) =  99.995%  kept
          HB3   SER   37 - QG2   THR   39   4.06 +/- 0.43   2.728% *  0.0946% (0.84   1.0  1.00   0.02   2.76) =   0.003%
          HA    ILE   89 - QB    ALA   91   4.22 +/- 1.03   3.676% *  0.0447% (0.40   1.0  1.00   0.02   7.79) =   0.002%
          HB3   SER   82 - QG2   THR   23   7.08 +/- 1.47   0.269% *  0.0459% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR   39  10.63 +/- 2.60   0.020% *  0.0978% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   39   7.78 +/- 0.82   0.056% *  0.0244% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QB    ALA   91   9.28 +/- 2.88   0.066% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   39 - QG2   THR   23  15.79 +/- 0.74   0.001% *  0.5499% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   23  13.73 +/- 2.02   0.003% *  0.0531% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   23  10.19 +/- 0.74   0.009% *  0.0137% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   91  12.93 +/- 0.86   0.002% *  0.0387% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR   23  16.01 +/- 2.22   0.001% *  0.0549% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   39 - QB    ALA   91  21.27 +/- 1.45   0.000% *  0.4628% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   91  13.81 +/- 1.60   0.002% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   39  15.72 +/- 1.41   0.001% *  0.0634% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR   23  16.77 +/- 0.65   0.000% *  0.0531% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   39  19.07 +/- 1.86   0.000% *  0.0819% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   39  20.50 +/- 1.92   0.000% *  0.0946% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   23  19.30 +/- 2.26   0.000% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   23  21.40 +/- 1.55   0.000% *  0.0356% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QB    ALA   91  23.91 +/- 1.66   0.000% *  0.0462% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QB    ALA   91  23.95 +/- 1.34   0.000% *  0.0447% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   39  23.90 +/- 2.14   0.000% *  0.0302% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    ALA   91  19.99 +/- 0.98   0.000% *  0.0115% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.23, residual support = 104.7:
    * O T HB2   LEU   40 - HA    LEU   40   2.80 +/- 0.30  93.788% * 97.9662% (1.00  10.0 10.00   5.23 104.69) =  99.996%  kept
          HB3   GLU-  14 - HA    GLU-  15   4.96 +/- 0.76   5.361% *  0.0386% (0.39   1.0  1.00   0.02   1.19) =   0.002%
        T HB2   LEU   67 - HA    GLU-  15   8.16 +/- 1.97   0.540% *  0.1222% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   LEU   40 - HA    ASN   35   9.89 +/- 0.45   0.053% *  0.3673% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HA    GLU-  15  12.46 +/- 1.90   0.023% *  0.7922% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    LEU   40  10.68 +/- 2.12   0.069% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU-  15   8.91 +/- 0.54   0.109% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    LEU   40  11.17 +/- 0.72   0.030% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU   40  15.06 +/- 1.34   0.006% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLU-  15  14.26 +/- 1.13   0.007% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    LEU   40  17.06 +/- 2.03   0.003% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    ASN   35  17.09 +/- 1.40   0.002% *  0.0567% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    ASN   35  15.68 +/- 0.77   0.004% *  0.0294% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  15  18.52 +/- 1.07   0.001% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    ASN   35  19.15 +/- 2.29   0.002% *  0.0179% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU-  15  23.68 +/- 2.83   0.000% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    LEU   40  23.79 +/- 3.58   0.000% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU   40  25.64 +/- 2.69   0.000% *  0.0594% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ASN   35  19.87 +/- 1.14   0.001% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    ASN   35  23.58 +/- 4.39   0.001% *  0.0113% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    ASN   35  31.55 +/- 2.59   0.000% *  0.0223% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 394 (1.48, 4.40, 56.43 ppm):
    30 chemical-shift based assignments, quality = 0.923, support = 5.47, residual support = 104.7:
    * O T HB3   LEU   40 - HA    LEU   40   2.60 +/- 0.28  72.261% * 70.6117% (1.00  10.0 10.00   5.50 104.69) =  87.666%  kept
      O T HG    LEU   40 - HA    LEU   40   3.11 +/- 0.39  27.087% * 26.5014% (0.38  10.0 10.00   5.29 104.69) =  12.333%  kept
          HG    LEU   67 - HA    GLU-  15   9.03 +/- 2.90   0.439% *  0.0278% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    ASN   35   9.75 +/- 0.41   0.029% *  0.2647% (0.37   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    GLU-  15  13.01 +/- 2.02   0.013% *  0.5710% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ASN   35  10.49 +/- 0.63   0.018% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LEU   40  10.20 +/- 1.88   0.046% *  0.0344% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU-  15  10.02 +/- 1.75   0.045% *  0.0127% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    LEU   40  18.33 +/- 1.52   0.001% *  0.6518% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU-  15  12.14 +/- 0.85   0.009% *  0.0300% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    GLU-  15  10.95 +/- 0.85   0.016% *  0.0159% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    LEU   40  18.17 +/- 1.34   0.001% *  0.2650% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LEU   40  14.72 +/- 2.12   0.003% *  0.0652% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU   40  12.69 +/- 0.58   0.006% *  0.0196% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    GLU-  15  13.75 +/- 1.81   0.006% *  0.0214% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    GLU-  15  20.91 +/- 1.70   0.000% *  0.2143% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU   40  15.71 +/- 0.83   0.002% *  0.0372% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU   40  14.54 +/- 2.93   0.005% *  0.0124% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ASN   35  12.46 +/- 0.47   0.007% *  0.0074% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU-  15  18.42 +/- 1.43   0.001% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ASN   35  25.44 +/- 1.37   0.000% *  0.2444% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    GLU-  15  20.29 +/- 1.37   0.000% *  0.0527% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU   40  17.01 +/- 1.11   0.001% *  0.0157% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ASN   35  16.53 +/- 1.22   0.001% *  0.0129% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ASN   35  25.06 +/- 1.12   0.000% *  0.0994% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ASN   35  20.83 +/- 2.08   0.000% *  0.0244% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ASN   35  19.47 +/- 0.84   0.000% *  0.0139% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU-  15  21.39 +/- 3.02   0.000% *  0.0100% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ASN   35  21.61 +/- 2.87   0.000% *  0.0046% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ASN   35  23.21 +/- 1.39   0.000% *  0.0059% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (4.40, 1.94, 42.31 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.23, residual support = 104.7:
    * O T HA    LEU   40 - HB2   LEU   40   2.80 +/- 0.30  91.475% * 98.0349% (1.00  10.0 10.00   5.23 104.69) =  99.997%  kept
          HA    LYS+  99 - HB2   LEU   40   4.91 +/- 1.15   6.337% *  0.0244% (0.25   1.0  1.00   0.02  11.63) =   0.002%
        T HA    GLU-  15 - HB2   LEU   67   8.16 +/- 1.97   0.509% *  0.0855% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   LEU   40  12.46 +/- 1.90   0.024% *  0.9274% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   40   9.89 +/- 0.45   0.053% *  0.3679% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   LEU   67  10.68 +/- 2.12   0.069% *  0.0904% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   67  10.52 +/- 3.88   0.693% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   40  12.75 +/- 3.90   0.053% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   67   7.66 +/- 1.60   0.682% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   40  10.74 +/- 0.25   0.033% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   40  13.79 +/- 1.53   0.011% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   40  17.49 +/- 2.17   0.002% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   40  17.82 +/- 1.94   0.002% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   67  12.38 +/- 0.77   0.016% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   67  17.09 +/- 1.40   0.002% *  0.0339% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   67  14.59 +/- 2.10   0.007% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   40  19.12 +/- 2.23   0.001% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   40  19.30 +/- 1.03   0.001% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   LEU   67  12.78 +/- 2.13   0.018% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   67  15.44 +/- 1.47   0.005% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   67  16.31 +/- 1.46   0.003% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   67  17.79 +/- 1.64   0.002% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.977, support = 4.24, residual support = 104.3:
    * O T HB3   LEU   40 - HB2   LEU   40   1.75 +/- 0.00  85.366% * 69.9238% (1.00  10.0 10.00   4.24 104.69) =  96.541%  kept
      O   HG    LEU   40 - HB2   LEU   40   2.71 +/- 0.23   7.282% * 26.2432% (0.38  10.0  1.00   4.73 104.69) =   3.091%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.69 +/- 0.22   7.257% *  3.1374% (0.04  10.0  1.00   4.95  56.91) =   0.368%
        T HB3   LEU   40 - HB2   LEU   67   8.76 +/- 2.36   0.018% *  0.0645% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU   40   7.97 +/- 2.22   0.033% *  0.0340% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU   67   8.90 +/- 2.42   0.015% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   40  13.37 +/- 2.18   0.001% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   40  17.01 +/- 1.61   0.000% *  0.2624% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  13.83 +/- 1.89   0.000% *  0.0595% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   67   7.52 +/- 0.84   0.018% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   40  13.38 +/- 3.12   0.002% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   40  13.11 +/- 0.88   0.001% *  0.0194% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  14.59 +/- 2.03   0.000% *  0.0242% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   40  15.12 +/- 1.40   0.000% *  0.0368% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB2   LEU   40  16.94 +/- 1.65   0.000% *  0.0645% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  11.92 +/- 2.37   0.001% *  0.0060% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   67  13.63 +/- 4.41   0.004% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   40  14.80 +/- 1.40   0.000% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   67  12.89 +/- 1.05   0.001% *  0.0034% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   67  13.99 +/- 0.82   0.000% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 398 (4.40, 1.48, 42.31 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.49, residual support = 104.7:
    * O T HA    LEU   40 - HB3   LEU   40   2.60 +/- 0.28  92.620% * 97.9684% (1.00  10.0 10.00   5.50 104.69) =  99.998%  kept
          HA    LYS+  99 - HB3   LEU   40   4.54 +/- 0.97   5.211% *  0.0244% (0.25   1.0  1.00   0.02  11.63) =   0.001%
        T HA    GLU-  15 - HB3   LEU   40  13.01 +/- 2.02   0.016% *  0.9267% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU   40   9.75 +/- 0.41   0.038% *  0.3677% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  115   5.77 +/- 1.41   1.675% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  115   8.92 +/- 1.44   0.352% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU   40  12.70 +/- 4.00   0.026% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU   40  10.70 +/- 0.25   0.022% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU   40  18.03 +/- 2.54   0.002% *  0.0927% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU   40  14.37 +/- 1.17   0.005% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU   40  18.23 +/- 1.70   0.002% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   LEU  115  18.17 +/- 1.34   0.001% *  0.1149% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU  115  12.05 +/- 1.38   0.019% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU  115  20.91 +/- 1.70   0.000% *  0.1087% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU   40  19.45 +/- 1.92   0.001% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU  115  13.75 +/- 0.66   0.005% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU   40  19.74 +/- 0.88   0.001% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU  115  16.77 +/- 1.77   0.002% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU  115  25.06 +/- 1.12   0.000% *  0.0431% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  115  18.73 +/- 1.28   0.001% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  115  27.25 +/- 2.04   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU  115  27.28 +/- 1.63   0.000% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 399 (1.94, 1.48, 42.31 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.24, residual support = 104.7:
    * O T HB2   LEU   40 - HB3   LEU   40   1.75 +/- 0.00  99.973% * 99.4293% (1.00  10.0 10.00   4.24 104.69) = 100.000%  kept
        T HB2   LEU   67 - HB3   LEU   40   8.76 +/- 2.36   0.022% *  0.1534% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU   40  11.90 +/- 1.04   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HB3   LEU  115  17.01 +/- 1.61   0.000% *  0.1167% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  14.33 +/- 1.52   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU  115  12.15 +/- 0.93   0.001% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU   40  16.43 +/- 1.98   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  14.59 +/- 2.03   0.000% *  0.0180% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.35 +/- 1.13   0.001% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  15.05 +/- 1.65   0.000% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  24.90 +/- 2.53   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU   40  23.49 +/- 3.27   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU  115  24.48 +/- 2.22   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU  115  33.61 +/- 2.82   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 400 (1.48, 1.48, 42.31 ppm):
    2 diagonal assignments:
    *     HB3   LEU   40 - HB3   LEU   40  (1.00)  kept
          HB3   LEU  115 - HB3   LEU  115  (0.04)  kept
 
    Peak 401 (4.88, 4.88, 60.22 ppm):
    1 diagonal assignment:
    *     HA    VAL   41 - HA    VAL   41  (1.00)  kept
 
    Peak 402 (1.84, 4.88, 60.22 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.19, residual support = 74.8:
    * O T HB    VAL   41 - HA    VAL   41   2.88 +/- 0.23  99.498% * 99.0830% (0.69  10.0 10.00   4.19  74.76) = 100.000%  kept
          HG12  ILE  103 - HA    VAL   41   9.40 +/- 0.93   0.101% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    VAL   41   8.06 +/- 0.81   0.260% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    VAL   41  11.51 +/- 0.51   0.028% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    VAL   41  12.92 +/- 1.90   0.023% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    VAL   41  11.69 +/- 0.90   0.027% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    VAL   41  12.55 +/- 0.89   0.017% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    VAL   41  11.05 +/- 0.82   0.039% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    VAL   41  18.58 +/- 2.59   0.002% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    VAL   41  22.40 +/- 2.13   0.001% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    VAL   41  18.49 +/- 1.03   0.002% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    VAL   41  22.67 +/- 2.85   0.001% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    VAL   41  19.67 +/- 1.38   0.001% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    VAL   41  22.81 +/- 1.21   0.000% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.08 A, kept.
 
    Peak 403 (0.76, 4.88, 60.22 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.24, residual support = 74.8:
    * O T QG1   VAL   41 - HA    VAL   41   2.71 +/- 0.25  91.613% * 98.7361% (1.00  10.0 10.00   4.24  74.76) =  99.994%  kept
          QG1   VAL   43 - HA    VAL   41   5.27 +/- 1.01   2.608% *  0.0934% (0.95   1.0  1.00   0.02   1.82) =   0.003%
          QD2   LEU   73 - HA    VAL   41   4.84 +/- 0.67   4.681% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.002%
        T QD2   LEU  104 - HA    VAL   41   8.36 +/- 1.18   0.188% *  0.1954% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   41   6.96 +/- 1.21   0.536% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HA    VAL   41  10.22 +/- 0.80   0.042% *  0.7546% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   41   8.56 +/- 1.56   0.319% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   41  13.37 +/- 0.93   0.008% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   41  14.88 +/- 1.27   0.005% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 404 (0.55, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 74.8:
    * O T QG2   VAL   41 - HA    VAL   41   2.24 +/- 0.16  98.591% * 99.7508% (1.00  10.0 10.00   3.94  74.76) =  99.999%  kept
          QD2   LEU   98 - HA    VAL   41   4.83 +/- 0.71   1.365% *  0.0944% (0.95   1.0  1.00   0.02  28.00) =   0.001%
          QD2   LEU   63 - HA    VAL   41   9.11 +/- 1.58   0.041% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    VAL   41  13.57 +/- 2.58   0.003% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 405 (4.88, 1.84, 34.57 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.19, residual support = 74.8:
    * O T HA    VAL   41 - HB    VAL   41   2.88 +/- 0.23  99.967% * 99.8595% (0.69  10.0 10.00   4.19  74.76) = 100.000%  kept
          HA    HIS  122 - HB    VAL   41  13.97 +/- 3.30   0.020% *  0.0800% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB    VAL   41  12.98 +/- 0.59   0.013% *  0.0606% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 406 (1.84, 1.84, 34.57 ppm):
    1 diagonal assignment:
    *     HB    VAL   41 - HB    VAL   41  (0.47)  kept
 
    Peak 407 (0.76, 1.84, 34.57 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 4.01, residual support = 74.8:
    * O T QG1   VAL   41 - HB    VAL   41   2.13 +/- 0.01  93.640% * 98.7361% (0.69  10.0 10.00   4.01  74.76) =  99.995%  kept
          QG1   VAL   43 - HB    VAL   41   4.72 +/- 1.25   1.823% *  0.0934% (0.65   1.0  1.00   0.02   1.82) =   0.002%
          QD2   LEU   73 - HB    VAL   41   6.33 +/- 1.20   3.702% *  0.0443% (0.31   1.0  1.00   0.02   0.02) =   0.002%
        T QD2   LEU  104 - HB    VAL   41   7.39 +/- 1.47   0.500% *  0.1954% (0.14   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HB    VAL   41   6.37 +/- 1.23   0.301% *  0.0599% (0.42   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB    VAL   41  11.74 +/- 1.18   0.004% *  0.7546% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   41  10.44 +/- 1.96   0.029% *  0.0305% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   41  13.74 +/- 1.14   0.001% *  0.0639% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   41  15.18 +/- 1.19   0.001% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 408 (0.55, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.685, support = 3.91, residual support = 72.3:
    * O T QG2   VAL   41 - HB    VAL   41   2.12 +/- 0.02  68.211% * 89.2774% (0.69  10.0 10.00   3.99  74.76) =  94.766%  kept
          QD2   LEU   98 - HB    VAL   41   2.80 +/- 0.99  31.780% * 10.5840% (0.65   1.0  1.00   2.51  28.00) =   5.234%  kept
          QD2   LEU   63 - HB    VAL   41  10.14 +/- 1.43   0.008% *  0.0541% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB    VAL   41  13.56 +/- 2.98   0.001% *  0.0845% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 409 (4.88, 0.55, 21.65 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.94, residual support = 74.8:
    * O T HA    VAL   41 - QG2   VAL   41   2.24 +/- 0.16  99.982% * 99.8595% (1.00  10.0 10.00   3.94  74.76) = 100.000%  kept
          HA    PHE   45 - QG2   VAL   41  10.31 +/- 0.49   0.013% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG2   VAL   41  12.86 +/- 2.52   0.005% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 410 (1.84, 0.55, 21.65 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 3.99, residual support = 74.8:
    * O T HB    VAL   41 - QG2   VAL   41   2.12 +/- 0.02  99.699% * 99.0830% (0.69  10.0 10.00   3.99  74.76) = 100.000%  kept
          HG12  ILE  103 - QG2   VAL   41   6.98 +/- 0.95   0.110% *  0.1205% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   VAL   41   6.59 +/- 0.59   0.135% *  0.0445% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   VAL   41   8.99 +/- 0.85   0.020% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   VAL   41  10.63 +/- 1.09   0.008% *  0.0593% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   VAL   41   9.09 +/- 0.90   0.019% *  0.0253% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   VAL   41  12.95 +/- 1.70   0.003% *  0.0759% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   41  12.23 +/- 0.70   0.003% *  0.0702% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   41  17.24 +/- 1.91   0.000% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   41  18.79 +/- 1.69   0.000% *  0.1430% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   41  15.48 +/- 1.04   0.001% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   VAL   41  15.08 +/- 1.51   0.001% *  0.0285% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   VAL   41  19.30 +/- 2.36   0.000% *  0.0647% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   VAL   41  17.90 +/- 1.16   0.000% *  0.0360% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 411 (0.76, 0.55, 21.65 ppm):
    9 chemical-shift based assignments, quality = 0.999, support = 3.91, residual support = 74.0:
    * O T QG1   VAL   41 - QG2   VAL   41   2.06 +/- 0.06  78.694% * 90.9216% (1.00  10.0 10.00   3.94  74.76) =  98.964%  kept
          QG1   VAL   43 - QG2   VAL   41   3.48 +/- 1.00   9.270% *  8.0006% (0.95   1.0  1.00   1.86   1.82) =   1.026%  kept
          HG    LEU   31 - QG2   VAL   41   3.88 +/- 1.21   5.946% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.005%
          QD2   LEU   73 - QG2   VAL   41   4.16 +/- 0.84   4.964% *  0.0408% (0.45   1.0  1.00   0.02   0.02) =   0.003%
        T QD2   LEU  104 - QG2   VAL   41   7.45 +/- 1.33   0.969% *  0.1799% (0.20   1.0 10.00   0.02   0.02) =   0.002%
        T QG2   VAL   18 - QG2   VAL   41   9.30 +/- 0.90   0.011% *  0.6948% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   41   7.70 +/- 1.48   0.141% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QG2   VAL   41  10.92 +/- 0.74   0.004% *  0.0588% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   41  13.02 +/- 0.96   0.001% *  0.0202% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 412 (0.55, 0.55, 21.65 ppm):
    1 diagonal assignment:
    *     QG2   VAL   41 - QG2   VAL   41  (1.00)  kept
 
    Peak 413 (4.44, 4.44, 60.39 ppm):
    2 diagonal assignments:
    *     HA    VAL   42 - HA    VAL   42  (1.00)  kept
          HA    PHE   55 - HA    PHE   55  (0.13)  kept
 
    Peak 414 (1.39, 4.44, 60.39 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 4.39, residual support = 88.1:
    * O T HB    VAL   42 - HA    VAL   42   2.96 +/- 0.06  94.619% * 97.8517% (0.87  10.0 10.00   4.39  88.10) =  99.995%  kept
          QB    LEU   98 - HA    VAL   42   5.37 +/- 0.58   3.661% *  0.0862% (0.76   1.0  1.00   0.02   0.47) =   0.003%
          HB3   LEU   73 - HA    VAL   42   6.68 +/- 0.95   1.025% *  0.0903% (0.80   1.0  1.00   0.02   1.68) =   0.001%
        T HB2   LYS+ 112 - HA    PHE   55   8.90 +/- 2.88   0.429% *  0.1824% (0.16   1.0 10.00   0.02   2.31) =   0.001%
          HG3   LYS+ 106 - HA    VAL   42   9.11 +/- 0.53   0.118% *  0.0639% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    VAL   42  11.15 +/- 0.76   0.037% *  0.0549% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    VAL   42  12.64 +/- 0.66   0.017% *  0.1041% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    VAL   42  13.46 +/- 2.65   0.033% *  0.0506% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    VAL   42  12.75 +/- 0.90   0.016% *  0.0862% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HA    VAL   42  19.10 +/- 1.48   0.002% *  0.7749% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HA    PHE   55  18.60 +/- 2.38   0.005% *  0.2303% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    VAL   42  15.06 +/- 0.78   0.006% *  0.0979% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    VAL   42  18.05 +/- 2.62   0.003% *  0.1089% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    VAL   42  15.04 +/- 2.26   0.007% *  0.0348% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    PHE   55  15.21 +/- 2.38   0.008% *  0.0230% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    PHE   55  17.04 +/- 2.43   0.004% *  0.0129% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   55  18.86 +/- 2.18   0.003% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   55  18.84 +/- 2.10   0.003% *  0.0119% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   55  19.70 +/- 1.90   0.001% *  0.0213% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    PHE   55  21.07 +/- 2.11   0.001% *  0.0203% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    PHE   55  25.71 +/- 3.38   0.001% *  0.0256% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   55  21.81 +/- 2.37   0.001% *  0.0082% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   55  28.50 +/- 2.72   0.000% *  0.0203% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    PHE   55  29.17 +/- 2.12   0.000% *  0.0245% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 415 (0.37, 4.44, 60.39 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 88.1:
    * O T QG1   VAL   42 - HA    VAL   42   2.65 +/- 0.20  98.037% * 98.1799% (0.97  10.0 10.00   4.00  88.10) =  99.999%  kept
        T QB    ALA   64 - HA    VAL   42   8.32 +/- 0.88   0.139% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    PHE   55   7.80 +/- 3.07   1.674% *  0.0164% (0.16   1.0  1.00   0.02   2.31) =   0.000%
        T QB    ALA   47 - HA    PHE   55  10.69 +/- 1.10   0.033% *  0.2389% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HA    VAL   42  14.16 +/- 1.11   0.006% *  1.0151% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   64 - HA    PHE   55  12.55 +/- 1.96   0.093% *  0.0474% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HA    PHE   55  13.73 +/- 1.73   0.015% *  0.2311% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    VAL   42  18.08 +/- 2.29   0.002% *  0.0699% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 416 (0.15, 4.44, 60.39 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 88.1:
    * O T QG2   VAL   42 - HA    VAL   42   2.19 +/- 0.23  99.936% * 99.6660% (0.80  10.0 10.00   4.00  88.10) = 100.000%  kept
          QG2   VAL   75 - HA    VAL   42   8.22 +/- 1.21   0.059% *  0.0805% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - HA    PHE   55  14.96 +/- 1.97   0.002% *  0.2346% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - HA    PHE   55  15.55 +/- 2.41   0.003% *  0.0189% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 417 (4.44, 1.39, 32.90 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.39, residual support = 88.1:
    * O T HA    VAL   42 - HB    VAL   42   2.96 +/- 0.06  99.001% * 97.9628% (0.87  10.0 10.00   4.39  88.10) =  99.998%  kept
        T HA    PHE   55 - HB2   LYS+ 112   8.90 +/- 2.88   0.448% *  0.3914% (0.35   1.0 10.00   0.02   2.31) =   0.002%
          HA    ALA  110 - HB2   LYS+ 112   7.76 +/- 1.23   0.461% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    VAL   42  10.58 +/- 0.69   0.052% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - HB    VAL   42  18.60 +/- 2.38   0.005% *  0.5546% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   42 - HB2   LYS+ 112  19.10 +/- 1.48   0.002% *  0.6913% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   42  13.77 +/- 0.50   0.010% *  0.0515% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   42  14.31 +/- 0.66   0.008% *  0.0594% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LYS+ 112  15.60 +/- 1.33   0.006% *  0.0364% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB    VAL   42  17.26 +/- 2.44   0.003% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LYS+ 112  20.82 +/- 2.81   0.002% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL   42  19.75 +/- 1.18   0.001% *  0.0368% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB2   LYS+ 112  20.47 +/- 1.95   0.001% *  0.0259% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LYS+ 112  32.99 +/- 1.86   0.000% *  0.0419% (0.37   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.796, support = 4.63, residual support = 102.4:
    * O T QG1   VAL   42 - HB    VAL   42   2.13 +/- 0.01  81.866% * 65.1690% (0.84  10.0 10.00   4.39  88.10) =  90.062%  kept
      O T HG2   LYS+ 112 - HB2   LYS+ 112   2.80 +/- 0.24  17.983% * 32.7352% (0.42  10.0 10.00   6.74 231.66) =   9.938%  kept
          QB    ALA   64 - HB    VAL   42   6.43 +/- 0.76   0.146% *  0.0134% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  14.82 +/- 0.90   0.001% *  0.6738% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB2   LYS+ 112  14.30 +/- 1.42   0.001% *  0.4755% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HB2   LYS+ 112  14.59 +/- 1.48   0.001% *  0.4599% (0.59   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  18.42 +/- 2.52   0.000% *  0.4639% (0.60   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   64 - HB2   LYS+ 112  14.67 +/- 1.55   0.001% *  0.0094% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 420 (0.15, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.695, support = 4.31, residual support = 88.1:
    * O T QG2   VAL   42 - HB    VAL   42   2.12 +/- 0.01  99.969% * 99.1635% (0.69  10.0 10.00   4.31  88.10) = 100.000%  kept
          QG2   VAL   75 - HB    VAL   42   8.70 +/- 1.11   0.030% *  0.0801% (0.56   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - HB2   LYS+ 112  15.21 +/- 1.39   0.001% *  0.6998% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - HB2   LYS+ 112  17.78 +/- 2.76   0.001% *  0.0565% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 422 (1.39, 0.37, 21.48 ppm):
    24 chemical-shift based assignments, quality = 0.837, support = 4.39, residual support = 88.1:
    * O T HB    VAL   42 - QG1   VAL   42   2.13 +/- 0.01  97.319% * 96.3200% (0.84  10.0 10.00   4.39  88.10) =  99.998%  kept
          HB3   LEU   73 - QG1   VAL   42   4.92 +/- 0.88   2.161% *  0.0889% (0.77   1.0  1.00   0.02   1.68) =   0.002%
          HG3   LYS+ 106 - QB    ALA   47  14.78 +/- 3.08   0.221% *  0.0543% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QG1   VAL   42   6.82 +/- 0.47   0.104% *  0.0849% (0.74   1.0  1.00   0.02   0.47) =   0.000%
          HB3   LYS+  74 - QG1   VAL   42   7.53 +/- 0.99   0.072% *  0.0540% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   47  10.17 +/- 2.32   0.049% *  0.0296% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QG1   VAL   42   8.88 +/- 0.70   0.021% *  0.0629% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG1   VAL   42  14.59 +/- 1.48   0.001% *  0.7627% (0.66   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG1   VAL   42  10.14 +/- 0.83   0.010% *  0.0963% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QB    ALA   47  14.30 +/- 1.42   0.001% *  0.6587% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - QB    ALA   47  14.82 +/- 0.90   0.001% *  0.8318% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG1   VAL   42  11.43 +/- 2.03   0.010% *  0.0498% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG1   VAL   42  11.31 +/- 0.72   0.005% *  0.1025% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    ALA   47  10.59 +/- 1.52   0.010% *  0.0467% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   42  14.05 +/- 2.00   0.002% *  0.1072% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QB    ALA   47  15.45 +/- 1.97   0.003% *  0.0733% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    ALA   47  12.70 +/- 0.89   0.002% *  0.0768% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG1   VAL   42  13.09 +/- 0.73   0.002% *  0.0849% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG1   VAL   42  12.21 +/- 1.62   0.004% *  0.0343% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QB    ALA   47  21.76 +/- 3.26   0.001% *  0.0733% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    ALA   47  21.06 +/- 3.21   0.000% *  0.0925% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QB    ALA   47  17.57 +/- 1.56   0.000% *  0.0832% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   47  19.37 +/- 2.05   0.000% *  0.0430% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QB    ALA   47  21.36 +/- 1.24   0.000% *  0.0885% (0.77   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 88.1:
    * O T QG2   VAL   42 - QG1   VAL   42   2.07 +/- 0.04  99.759% * 98.9960% (0.77  10.0 10.00   4.00  88.10) = 100.000%  kept
          QG2   VAL   75 - QG1   VAL   42   6.45 +/- 1.05   0.197% *  0.0800% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   75 - QB    ALA   47   8.19 +/- 1.10   0.042% *  0.0691% (0.54   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   42 - QB    ALA   47  12.50 +/- 0.90   0.002% *  0.8549% (0.67   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.66 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 = 88.1:
    * O T HA    VAL   42 - QG2   VAL   42   2.19 +/- 0.23  99.952% * 99.2010% (0.80  10.0 10.00   4.00  88.10) = 100.000%  kept
          HA    GLN   17 - QG2   VAL   42   9.59 +/- 0.98   0.029% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG2   VAL   42  14.96 +/- 1.97   0.002% *  0.5616% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG2   VAL   42  11.67 +/- 0.60   0.008% *  0.0522% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   VAL   42  12.52 +/- 0.64   0.004% *  0.0602% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   VAL   42  13.45 +/- 1.85   0.004% *  0.0276% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG2   VAL   42  16.63 +/- 0.99   0.001% *  0.0372% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 426 (1.39, 0.15, 20.83 ppm):
    12 chemical-shift based assignments, quality = 0.695, support = 4.31, residual support = 88.1:
    * O T HB    VAL   42 - QG2   VAL   42   2.12 +/- 0.01  99.223% * 98.4381% (0.69  10.0 10.00   4.31  88.10) =  99.999%  kept
          QB    LEU   98 - QG2   VAL   42   5.63 +/- 0.59   0.352% *  0.0867% (0.61   1.0  1.00   0.02   0.47) =   0.000%
          HB3   LEU   73 - QG2   VAL   42   6.76 +/- 1.04   0.307% *  0.0909% (0.64   1.0  1.00   0.02   1.68) =   0.000%
          HD3   LYS+ 121 - QG2   VAL   42  10.32 +/- 2.57   0.047% *  0.0509% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QG2   VAL   42   8.24 +/- 0.83   0.037% *  0.0642% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG2   VAL   42   9.78 +/- 1.04   0.014% *  0.0552% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG2   VAL   42  15.21 +/- 1.39   0.001% *  0.7795% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG2   VAL   42  10.99 +/- 0.96   0.006% *  0.1048% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG2   VAL   42  10.80 +/- 0.64   0.006% *  0.0984% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG2   VAL   42  11.47 +/- 0.78   0.004% *  0.0867% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   42  14.39 +/- 1.97   0.002% *  0.1095% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   VAL   42  14.08 +/- 1.73   0.001% *  0.0350% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (0.37, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.773, support = 4.0, residual support = 88.1:
    * O T QG1   VAL   42 - QG2   VAL   42   2.07 +/- 0.04  99.576% * 98.8869% (0.77  10.0 10.00   4.00  88.10) = 100.000%  kept
          QB    ALA   64 - QG2   VAL   42   5.62 +/- 0.89   0.421% *  0.0203% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - QG2   VAL   42  12.50 +/- 0.90   0.002% *  1.0224% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QG2   VAL   42  14.34 +/- 2.05   0.002% *  0.0704% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 61.3:
    * O T HB    VAL   43 - HA    VAL   43   2.90 +/- 0.21  99.969% * 99.7401% (0.97  10.0 10.00   3.30  61.34) = 100.000%  kept
          HB2   LYS+  99 - HA    VAL   43  12.49 +/- 1.01   0.019% *  0.1031% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    VAL   43  14.19 +/- 0.69   0.008% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    VAL   43  16.52 +/- 1.15   0.003% *  0.1024% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 431 (0.76, 4.67, 60.29 ppm):
    9 chemical-shift based assignments, quality = 0.894, support = 4.46, residual support = 60.9:
    * O T QG1   VAL   43 - HA    VAL   43   2.61 +/- 0.31  82.542% * 95.4174% (0.90  10.0 10.00   4.49  61.34) =  99.135%  kept
          QD2   LEU   73 - HA    VAL   43   4.51 +/- 1.17  16.346% *  4.1982% (0.53   1.0  1.00   1.50   8.20) =   0.864%  kept
          QG1   VAL   41 - HA    VAL   43   7.19 +/- 0.61   0.344% *  0.1055% (0.99   1.0  1.00   0.02   1.82) =   0.000%
          QG2   VAL   18 - HA    VAL   43   7.84 +/- 0.93   0.125% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   43   8.22 +/- 0.84   0.150% *  0.0602% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   43   8.05 +/- 0.73   0.121% *  0.0731% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    VAL   43  10.99 +/- 1.87   0.277% *  0.0164% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   43   9.08 +/- 0.85   0.073% *  0.0265% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   43  11.56 +/- 1.44   0.023% *  0.0296% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 61.3:
    * O T QG2   VAL   43 - HA    VAL   43   2.33 +/- 0.26  99.092% * 98.9143% (0.69  10.0 10.00   3.00  61.34) =  99.992%  kept
        T QD2   LEU   31 - HA    VAL   43   5.72 +/- 0.68   0.757% *  1.0457% (0.73   1.0 10.00   0.02   0.02) =   0.008%
          QG2   VAL   83 - HA    VAL   43   7.33 +/- 1.19   0.151% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 433 (4.67, 1.77, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 61.3:
    * O T HA    VAL   43 - HB    VAL   43   2.90 +/- 0.21  99.937% * 99.8083% (0.97  10.0 10.00   3.30  61.34) = 100.000%  kept
          HA    LEU   71 - HB    VAL   43  10.61 +/- 0.80   0.051% *  0.0222% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - HB    VAL   43  13.97 +/- 0.91   0.009% *  0.0799% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - HB    VAL   43  16.12 +/- 0.60   0.004% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.85, residual support = 61.3:
    * O T QG1   VAL   43 - HB    VAL   43   2.12 +/- 0.02  96.070% * 97.7514% (0.87  10.0 10.00   3.85  61.34) =  99.993%  kept
        T QD2   LEU  104 - HB    VAL   43   9.94 +/- 2.16   3.329% *  0.1682% (0.15   1.0 10.00   0.02   0.02) =   0.006%
        T QG1   VAL   41 - HB    VAL   43   7.00 +/- 0.57   0.087% *  1.0803% (0.96   1.0 10.00   0.02   1.82) =   0.001%
          QD2   LEU   73 - HB    VAL   43   6.44 +/- 1.17   0.432% *  0.0573% (0.51   1.0  1.00   0.02   8.20) =   0.000%
        T QG2   VAL   18 - HB    VAL   43   9.96 +/- 0.82   0.011% *  0.7487% (0.66   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    VAL   43   8.05 +/- 0.71   0.039% *  0.0749% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   43   9.16 +/- 1.02   0.023% *  0.0617% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   43  11.18 +/- 0.89   0.005% *  0.0272% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   43  11.82 +/- 1.35   0.004% *  0.0303% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 436 (0.06, 1.77, 34.62 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 2.89, residual support = 61.3:
    * O T QG2   VAL   43 - HB    VAL   43   2.12 +/- 0.02  99.546% * 98.9143% (0.66  10.0 10.00   2.89  61.34) =  99.997%  kept
        T QD2   LEU   31 - HB    VAL   43   6.03 +/- 0.85   0.307% *  1.0457% (0.70   1.0 10.00   0.02   0.02) =   0.003%
          QG2   VAL   83 - HB    VAL   43   6.95 +/- 1.53   0.147% *  0.0400% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 437 (4.67, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.49, residual support = 61.3:
    * O T HA    VAL   43 - QG1   VAL   43   2.61 +/- 0.31  99.847% * 99.8083% (0.90  10.0 10.00   4.49  61.34) = 100.000%  kept
          HA    LEU   71 - QG1   VAL   43   8.31 +/- 0.91   0.127% *  0.0222% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - QG1   VAL   43  11.21 +/- 1.21   0.019% *  0.0799% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QG1   VAL   43  13.00 +/- 0.73   0.008% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 438 (1.77, 0.76, 21.16 ppm):
    4 chemical-shift based assignments, quality = 0.866, support = 3.85, residual support = 61.3:
    * O T HB    VAL   43 - QG1   VAL   43   2.12 +/- 0.02  99.980% * 99.7401% (0.87  10.0 10.00   3.85  61.34) = 100.000%  kept
          HB2   LYS+  99 - QG1   VAL   43   9.49 +/- 1.03   0.017% *  0.1031% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   43  13.90 +/- 1.51   0.002% *  0.1024% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   43  13.92 +/- 0.78   0.001% *  0.0544% (0.47   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.97, residual support = 61.3:
    * O T QG2   VAL   43 - QG1   VAL   43   2.05 +/- 0.05  96.933% * 98.9143% (0.62  10.0 10.00   3.97  61.34) =  99.972%  kept
        T QD2   LEU   31 - QG1   VAL   43   4.17 +/- 0.99   2.541% *  1.0457% (0.65   1.0 10.00   0.02   0.02) =   0.028%
          QG2   VAL   83 - QG1   VAL   43   5.94 +/- 1.56   0.525% *  0.0400% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 442 (1.77, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 2.89, residual support = 61.3:
    * O T HB    VAL   43 - QG2   VAL   43   2.12 +/- 0.02  99.667% * 99.3815% (0.66  10.0 10.00   2.89  61.34) =  99.999%  kept
        T HB    VAL   43 - QD2   LEU   31   6.03 +/- 0.85   0.308% *  0.2851% (0.19   1.0 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QG2   VAL   43  11.15 +/- 1.17   0.006% *  0.1028% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD2   LEU   31   9.84 +/- 1.05   0.013% *  0.0295% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   VAL   43  12.57 +/- 1.17   0.003% *  0.1021% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG2   VAL   43  13.74 +/- 0.76   0.001% *  0.0542% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   31  15.07 +/- 1.62   0.001% *  0.0293% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU   31  13.98 +/- 1.01   0.001% *  0.0155% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 443 (0.76, 0.06, 21.48 ppm):
    18 chemical-shift based assignments, quality = 0.543, support = 4.25, residual support = 87.1:
    * O T QG1   VAL   43 - QG2   VAL   43   2.05 +/- 0.05  45.704% * 80.9559% (0.62  10.0 10.00   3.97  61.34) =  84.845%  kept
      O T HG    LEU   31 - QD2   LEU   31   2.12 +/- 0.01  37.099% * 17.7908% (0.14  10.0 10.00   5.84 231.79) =  15.135%  kept
        T QG1   VAL   43 - QD2   LEU   31   4.17 +/- 0.99   1.255% *  0.2323% (0.18   1.0 10.00   0.02   0.02) =   0.007%
          QD2   LEU   73 - QG2   VAL   43   4.91 +/- 1.45   5.978% *  0.0475% (0.36   1.0  1.00   0.02   8.20) =   0.007%
          QG1   VAL   41 - QD2   LEU   31   3.53 +/- 0.87   7.141% *  0.0257% (0.20   1.0  1.00   0.02   0.02) =   0.004%
        T HG    LEU   31 - QG2   VAL   43   6.20 +/- 1.07   0.115% *  0.6201% (0.47   1.0 10.00   0.02   0.02) =   0.002%
          QD2   LEU   73 - QD2   LEU   31   4.02 +/- 0.76   1.476% *  0.0136% (0.10   1.0  1.00   0.02   3.33) =   0.000%
          QD2   LEU  104 - QG2   VAL   43   9.52 +/- 1.89   0.937% *  0.0139% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   6.32 +/- 0.98   0.132% *  0.0895% (0.68   1.0  1.00   0.02   1.82) =   0.000%
          QG2   THR   46 - QG2   VAL   43   6.96 +/- 1.02   0.073% *  0.0511% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - QG2   VAL   43   8.03 +/- 0.76   0.014% *  0.0620% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   43   8.86 +/- 0.91   0.009% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   31   7.30 +/- 0.96   0.031% *  0.0065% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.33 +/- 1.16   0.004% *  0.0251% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - QD2   LEU   31   9.38 +/- 1.65   0.024% *  0.0040% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - QD2   LEU   31   9.69 +/- 0.71   0.005% *  0.0178% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD2   LEU   31  10.85 +/- 1.00   0.003% *  0.0147% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  14.18 +/- 1.19   0.001% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 444 (0.06, 0.06, 21.48 ppm):
    2 diagonal assignments:
    *     QG2   VAL   43 - QG2   VAL   43  (0.47)  kept
          QD2   LEU   31 - QD2   LEU   31  (0.14)  kept
 
    Peak 445 (4.29, 4.29, 51.33 ppm):
    1 diagonal assignment:
    *     HA    ASP-  44 - HA    ASP-  44  (1.00)  kept
 
    Peak 446 (2.27, 4.29, 51.33 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.68, residual support = 38.5:
    * O T HB2   ASP-  44 - HA    ASP-  44   2.84 +/- 0.25  99.660% * 97.1917% (1.00  10.0 10.00   2.68  38.53) = 100.000%  kept
          HB3   PHE   72 - HA    ASP-  44   8.05 +/- 0.93   0.258% *  0.0953% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASP-  44  15.64 +/- 1.58   0.005% *  0.9527% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASP-  44  16.74 +/- 1.32   0.003% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  44  11.53 +/- 1.03   0.032% *  0.0629% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  44  12.76 +/- 1.33   0.016% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP-  44  11.96 +/- 0.82   0.023% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASP-  44  24.42 +/- 2.52   0.000% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  44  16.74 +/- 1.14   0.003% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (1.34, 4.29, 51.33 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.13, residual support = 38.5:
    * O T HB3   ASP-  44 - HA    ASP-  44   2.63 +/- 0.29  99.179% * 98.4998% (1.00  10.0 10.00   4.13  38.53) =  99.999%  kept
          HB3   PRO   93 - HA    ASP-  44   6.84 +/- 1.07   0.525% *  0.0753% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ASP-  44  10.87 +/- 0.89   0.026% *  0.7887% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ASP-  44   9.09 +/- 1.61   0.138% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ASP-  44  10.44 +/- 1.48   0.042% *  0.0883% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ASP-  44  11.63 +/- 1.94   0.027% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASP-  44  10.41 +/- 1.43   0.045% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ASP-  44  14.22 +/- 0.73   0.005% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASP-  44  15.45 +/- 1.43   0.003% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ASP-  44  18.17 +/- 1.69   0.001% *  0.0951% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ASP-  44  16.45 +/- 0.93   0.002% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASP-  44  15.96 +/- 1.85   0.004% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ASP-  44  20.53 +/- 0.52   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 448 (4.29, 2.27, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.68, residual support = 38.5:
    * O T HA    ASP-  44 - HB2   ASP-  44   2.84 +/- 0.25  99.754% * 98.1053% (1.00  10.0 10.00   2.68  38.53) = 100.000%  kept
          HA    ALA   57 - HB2   ASP-  44   8.99 +/- 1.63   0.180% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ASP-  44  11.79 +/- 0.98   0.021% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ASP-  44  17.04 +/- 1.42   0.003% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ASP-  44  14.23 +/- 1.41   0.016% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  44  13.81 +/- 1.18   0.009% *  0.0928% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ASP-  44  24.76 +/- 3.38   0.001% *  0.9789% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ASP-  44  16.67 +/- 1.17   0.003% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ASP-  44  15.97 +/- 1.78   0.006% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ASP-  44  16.04 +/- 0.75   0.004% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ASP-  44  16.27 +/- 1.06   0.003% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  44  22.13 +/- 2.78   0.001% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.75, residual support = 38.5:
    * O T HB3   ASP-  44 - HB2   ASP-  44   1.75 +/- 0.00  99.950% * 99.2040% (1.00  10.0 10.00   2.75  38.53) = 100.000%  kept
          HB3   PRO   93 - HB2   ASP-  44   7.67 +/- 1.40   0.028% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   ASP-  44   8.37 +/- 1.96   0.015% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   ASP-  44  11.79 +/- 1.58   0.002% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  44  11.87 +/- 1.40   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  44  11.58 +/- 0.92   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   ASP-  44  14.49 +/- 0.88   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB2   ASP-  44  12.67 +/- 1.30   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   ASP-  44  16.94 +/- 1.94   0.000% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   ASP-  44  18.11 +/- 1.98   0.000% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  44  16.56 +/- 2.33   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   ASP-  44  17.13 +/- 1.14   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   ASP-  44  20.72 +/- 0.94   0.000% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 451 (4.29, 1.34, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.13, residual support = 38.5:
    * O T HA    ASP-  44 - HB3   ASP-  44   2.63 +/- 0.29  99.787% * 99.3093% (1.00  10.0 10.00   4.13  38.53) = 100.000%  kept
          HB    THR   77 - HB3   ASP-  44  11.36 +/- 1.29   0.033% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   ASP-  44   8.65 +/- 1.95   0.146% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   ASP-  44  14.29 +/- 2.01   0.016% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  44  13.91 +/- 1.19   0.006% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   ASP-  44  16.30 +/- 1.08   0.003% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   ASP-  44  16.11 +/- 0.99   0.003% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   ASP-  44  15.30 +/- 1.62   0.003% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   ASP-  44  16.91 +/- 0.58   0.002% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  44  18.14 +/- 1.38   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  44  25.98 +/- 3.15   0.000% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  44  23.33 +/- 2.56   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 452 (2.27, 1.34, 38.87 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.75, residual support = 38.5:
    * O T HB2   ASP-  44 - HB3   ASP-  44   1.75 +/- 0.00  99.962% * 99.4398% (1.00  10.0 10.00   2.75  38.53) = 100.000%  kept
          HB3   PHE   72 - HB3   ASP-  44   7.32 +/- 1.08   0.034% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP-  44  11.68 +/- 1.97   0.002% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   ASP-  44  13.44 +/- 1.62   0.001% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   ASP-  44  14.94 +/- 1.51   0.000% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   ASP-  44  15.71 +/- 1.26   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP-  44  12.28 +/- 1.27   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP-  44  16.90 +/- 1.58   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   ASP-  44  23.77 +/- 2.48   0.000% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 453 (1.34, 1.34, 38.87 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  44 - HB3   ASP-  44  (1.00)  kept
 
    Peak 454 (4.86, 4.86, 58.73 ppm):
    1 diagonal assignment:
    *     HA    PHE   45 - HA    PHE   45  (1.00)  kept
 
    Peak 455 (3.05, 4.86, 58.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.2:
    * O T HB2   PHE   45 - HA    PHE   45   2.78 +/- 0.30  99.927% * 99.8680% (1.00  10.0 10.00   3.31  80.15) = 100.000%  kept
          HB2   CYS   21 - HA    PHE   45  10.25 +/- 1.87   0.066% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    PHE   45  15.70 +/- 1.95   0.007% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 456 (2.42, 4.86, 58.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 80.2:
    * O T HB3   PHE   45 - HA    PHE   45   2.78 +/- 0.25  99.907% * 99.6736% (1.00  10.0 10.00   4.00  80.15) = 100.000%  kept
          HB    VAL  107 - HA    PHE   45  11.05 +/- 1.23   0.038% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    PHE   45  11.06 +/- 1.22   0.037% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    PHE   45  15.03 +/- 2.17   0.010% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    PHE   45  17.87 +/- 1.14   0.002% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    PHE   45  15.47 +/- 1.18   0.004% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    PHE   45  18.44 +/- 1.24   0.002% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 457 (4.86, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.2:
    * O T HA    PHE   45 - HB2   PHE   45   2.78 +/- 0.30  99.990% * 99.9145% (1.00  10.0 10.00   3.31  80.15) = 100.000%  kept
          HA    VAL   41 - HB2   PHE   45  13.93 +/- 0.81   0.009% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB2   PHE   45  19.14 +/- 1.86   0.002% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 458 (3.05, 3.05, 39.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   45 - HB2   PHE   45  (1.00)  kept
 
    Peak 459 (2.42, 3.05, 39.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.2:
    * O T HB3   PHE   45 - HB2   PHE   45   1.75 +/- 0.00  99.992% * 99.6736% (1.00  10.0 10.00   3.31  80.15) = 100.000%  kept
          HB    VAL  107 - HB2   PHE   45  10.25 +/- 1.55   0.004% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   PHE   45  10.45 +/- 1.64   0.003% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   PHE   45  14.65 +/- 2.23   0.001% *  0.0997% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   PHE   45  15.99 +/- 1.74   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   PHE   45  19.23 +/- 1.25   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   45  19.30 +/- 1.43   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (4.86, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 80.2:
    * O T HA    PHE   45 - HB3   PHE   45   2.78 +/- 0.25  99.990% * 99.9145% (1.00  10.0 10.00   4.00  80.15) = 100.000%  kept
          HA    VAL   41 - HB3   PHE   45  14.21 +/- 1.00   0.008% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HB3   PHE   45  19.49 +/- 1.45   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 461 (3.05, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 80.2:
    * O T HB2   PHE   45 - HB3   PHE   45   1.75 +/- 0.00  99.999% * 99.8680% (1.00  10.0 10.00   3.31  80.15) = 100.000%  kept
          HB2   CYS   21 - HB3   PHE   45  12.34 +/- 1.74   0.001% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   PHE   45  14.50 +/- 1.15   0.000% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.53 +/- 0.13  99.993% * 98.0423% (1.00  10.0 10.00   3.00  34.52) = 100.000%  kept
          HA    LYS+ 112 - HA    THR   46  13.91 +/- 1.39   0.004% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   13  23.60 +/- 3.32   0.000% *  0.5934% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   37  26.03 +/- 0.91   0.000% *  0.9714% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   37  19.30 +/- 3.70   0.001% *  0.0871% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    THR   46  18.79 +/- 1.56   0.001% *  0.0879% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   13  21.67 +/- 3.01   0.000% *  0.0532% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   37  30.79 +/- 1.51   0.000% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   13  29.94 +/- 2.22   0.000% *  0.0384% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.12 +/- 0.26  95.904% * 97.3989% (1.00  10.0 10.00   3.00  34.52) =  99.998%  kept
          QD1   ILE   19 - HA    SER   13   7.79 +/- 2.12   3.235% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - HA    THR   46   9.63 +/- 1.26   0.224% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    THR   46   9.66 +/- 1.43   0.175% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    SER   37   8.62 +/- 0.36   0.243% *  0.0624% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   13  12.22 +/- 1.59   0.064% *  0.0578% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    SER   37  12.10 +/- 1.69   0.039% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   13  19.38 +/- 2.74   0.003% *  0.5895% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   37  13.20 +/- 0.73   0.019% *  0.0663% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   37  14.17 +/- 1.11   0.013% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    THR   46  14.48 +/- 1.27   0.012% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   37  21.85 +/- 1.11   0.001% *  0.9651% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    SER   13  16.12 +/- 2.86   0.019% *  0.0381% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    THR   46  15.36 +/- 0.88   0.008% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    THR   46  17.16 +/- 2.15   0.007% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   37  16.91 +/- 0.84   0.004% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   13  17.71 +/- 2.38   0.005% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   37  13.30 +/- 0.37   0.017% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   13  20.95 +/- 2.77   0.002% *  0.0405% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    THR   46  17.06 +/- 0.83   0.004% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   13  19.87 +/- 3.20   0.003% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 466 (4.42, 3.44, 70.99 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HA    THR   46 - HB    THR   46   2.53 +/- 0.13  99.974% * 98.0777% (1.00  10.0 10.00   3.00  34.52) = 100.000%  kept
          HA    PRO   58 - HB    THR   46  12.12 +/- 1.87   0.012% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    THR   46  14.43 +/- 2.31   0.005% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB    THR   46  12.56 +/- 0.59   0.008% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB    THR   46  23.60 +/- 3.32   0.000% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   37 - HB    THR   46  26.03 +/- 0.91   0.000% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    THR   46  18.43 +/- 2.08   0.001% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    THR   46  18.96 +/- 0.65   0.001% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 467 (3.44, 3.44, 70.99 ppm):
    1 diagonal assignment:
    *     HB    THR   46 - HB    THR   46  (1.00)  kept
 
    Peak 468 (0.75, 3.44, 70.99 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T QG2   THR   46 - HB    THR   46   2.15 +/- 0.01  99.907% * 99.5878% (1.00  10.0 10.00   3.00  34.52) = 100.000%  kept
          QG2   VAL   18 - HB    THR   46   8.23 +/- 1.91   0.065% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB    THR   46   9.33 +/- 1.14   0.023% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    THR   46  13.09 +/- 1.79   0.003% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    THR   46  14.86 +/- 0.76   0.001% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    THR   46  17.01 +/- 2.00   0.001% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    THR   46  16.49 +/- 1.07   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   3.12 +/- 0.26  99.817% * 98.0777% (1.00  10.0 10.00   3.00  34.52) = 100.000%  kept
          HA    PRO   58 - QG2   THR   46  11.13 +/- 1.55   0.070% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - QG2   THR   46  12.21 +/- 1.81   0.039% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG2   THR   46  11.13 +/- 0.92   0.056% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - QG2   THR   46  19.38 +/- 2.74   0.003% *  0.6345% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   37 - QG2   THR   46  21.85 +/- 1.11   0.001% *  0.9721% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG2   THR   46  15.41 +/- 1.69   0.009% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG2   THR   46  16.37 +/- 0.92   0.005% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.15 +/- 0.01  99.997% * 99.8459% (1.00  10.0 10.00   3.00  34.52) = 100.000%  kept
          HA    LYS+ 112 - QG2   THR   46  13.42 +/- 1.65   0.003% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - QG2   THR   46  16.16 +/- 1.30   0.001% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 471 (0.75, 0.75, 18.88 ppm):
    1 diagonal assignment:
    *     QG2   THR   46 - QG2   THR   46  (1.00)  kept
 
    Peak 472 (4.56, 4.56, 52.00 ppm):
    1 diagonal assignment:
    *     HA    ALA   47 - HA    ALA   47  (1.00)  kept
 
    Peak 473 (0.37, 4.56, 52.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.0, residual support = 11.0:
    * O T QB    ALA   47 - HA    ALA   47   2.14 +/- 0.01  99.996% * 99.0048% (0.95  10.0 10.00   2.00  11.03) = 100.000%  kept
        T QG1   VAL   42 - HA    ALA   47  12.65 +/- 0.60   0.002% *  0.9079% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   64 - HA    ALA   47  14.54 +/- 1.09   0.001% *  0.0323% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    ALA   47  17.42 +/- 2.08   0.000% *  0.0551% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 474 (4.56, 0.37, 21.60 ppm):
    12 chemical-shift based assignments, quality = 0.941, support = 2.01, residual support = 11.0:
    * O T HA    ALA   47 - QB    ALA   47   2.14 +/- 0.01  85.045% * 93.4075% (0.95  10.0 10.00   2.00  11.03) =  99.040%  kept
          HA    CYS   50 - QB    ALA   47   3.55 +/- 0.90  13.879% *  5.5442% (0.42   1.0  1.00   2.65   6.99) =   0.959%  kept
          HA    TRP   49 - QB    ALA   47   4.68 +/- 0.26   0.863% *  0.0260% (0.26   1.0  1.00   0.02  14.66) =   0.000%
          HA    VAL  108 - QB    ALA   47   9.99 +/- 2.35   0.066% *  0.0916% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    ALA   47  11.12 +/- 2.90   0.121% *  0.0384% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   47 - QG1   VAL   42  12.65 +/- 0.60   0.002% *  0.7154% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QG1   VAL   42  10.36 +/- 1.04   0.008% *  0.0701% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QG1   VAL   42   9.91 +/- 1.09   0.011% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QG1   VAL   42  13.68 +/- 0.99   0.001% *  0.0294% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL   42  14.12 +/- 1.52   0.001% *  0.0321% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL   42  16.43 +/- 1.94   0.002% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    ALA   47  15.00 +/- 1.40   0.001% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 1.75, residual support = 9.35:
    * O T QB    SER   48 - HA    SER   48   2.27 +/- 0.08  99.043% * 96.0221% (1.00  10.0 10.00   1.75   9.35) =  99.998%  kept
        T QB    SER   85 - HB2   SER   82   5.44 +/- 0.43   0.613% *  0.2561% (0.27   1.0 10.00   0.02   2.95) =   0.002%
          HA2   GLY   51 - HA    SER   48   8.52 +/- 1.75   0.292% *  0.0861% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER   48  14.57 +/- 2.09   0.002% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HB2   SER   82  14.90 +/- 2.40   0.003% *  0.4222% (0.44   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER   48  13.14 +/- 1.66   0.004% *  0.0941% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    VAL   70  10.56 +/- 1.53   0.018% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   48  21.50 +/- 2.54   0.000% *  0.6212% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    VAL   70  10.76 +/- 0.79   0.010% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    VAL   70  17.10 +/- 1.56   0.001% *  0.1415% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA2   GLY   16 - HA    SER   48  23.55 +/- 3.00   0.000% *  0.5824% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   SER   82  15.88 +/- 1.91   0.001% *  0.0414% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    VAL   70  14.47 +/- 2.96   0.002% *  0.0207% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    VAL   70  15.00 +/- 2.76   0.002% *  0.0202% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    VAL   70  23.02 +/- 1.48   0.000% *  0.2188% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    VAL   70  11.80 +/- 1.04   0.006% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    SER   48  15.87 +/- 2.01   0.001% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HB2   SER   82  26.67 +/- 1.82   0.000% *  0.2731% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    VAL   70  23.82 +/- 1.13   0.000% *  0.1327% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    VAL   70  17.80 +/- 0.84   0.000% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   48  22.11 +/- 1.97   0.000% *  0.0505% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   SER   82  23.35 +/- 2.70   0.000% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   48  26.17 +/- 1.63   0.000% *  0.0886% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   48  27.09 +/- 2.10   0.000% *  0.0908% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    VAL   70  25.93 +/- 2.81   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   SER   82  22.34 +/- 2.05   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   SER   82  27.61 +/- 1.21   0.000% *  0.0256% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   SER   82  30.55 +/- 2.61   0.000% *  0.0399% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   SER   82  27.60 +/- 1.18   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   SER   82  31.62 +/- 2.17   0.000% *  0.0390% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 478 (3.99, 3.94, 63.31 ppm):
    1 diagonal assignment:
          QB    SER   85 - QB    SER   85  (0.03)  kept
    Reference assignment not found: HA    SER   48 - QB    SER   48
 
    Peak 479 (3.94, 3.94, 63.31 ppm):
    3 diagonal assignments:
    *     QB    SER   48 - QB    SER   48  (1.00)  kept
          QB    SER  117 - QB    SER  117  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.15)  kept
 
    Peak 480 (4.58, 4.58, 54.06 ppm):
    2 diagonal assignments:
    *     HA    TRP   49 - HA    TRP   49  (1.00)  kept
          HA    CYS   50 - HA    CYS   50  (0.89)  kept
 
    Peak 481 (3.69, 4.58, 54.06 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 4.1, residual support = 85.1:
    * O T HB2   TRP   49 - HA    TRP   49   2.49 +/- 0.16  97.628% * 50.9151% (1.00  10.0 10.00   4.12  86.91) =  97.883%  kept
        T HB2   TRP   49 - HA    CYS   50   4.95 +/- 0.51   2.239% * 47.9899% (0.94   1.0 10.00   3.27   3.09) =   2.116%  kept
        T HA2   GLY  109 - HA    CYS   50  12.47 +/- 3.76   0.093% *  0.3843% (0.75   1.0 10.00   0.02   0.02) =   0.001%
        T HA2   GLY  109 - HA    TRP   49  16.01 +/- 3.79   0.005% *  0.4077% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    CYS   50  13.53 +/- 2.33   0.007% *  0.0454% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    TRP   49  14.38 +/- 1.92   0.005% *  0.0482% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    CYS   50  13.84 +/- 2.57   0.014% *  0.0065% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    TRP   49  14.92 +/- 2.26   0.006% *  0.0069% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    CYS   50  20.14 +/- 2.49   0.001% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    CYS   50  19.11 +/- 1.68   0.001% *  0.0476% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA    TRP   49  23.91 +/- 2.73   0.000% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    TRP   49  22.75 +/- 1.86   0.000% *  0.0505% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 482 (3.15, 4.58, 54.06 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 4.11, residual support = 86.5:
    * O T HB3   TRP   49 - HA    TRP   49   2.42 +/- 0.16  99.431% * 51.4295% (0.84  10.0 10.00   4.12  86.91) =  99.467%  kept
        T HB3   TRP   49 - HA    CYS   50   5.85 +/- 0.22   0.565% * 48.4748% (0.79   1.0 10.00   3.27   3.09) =   0.533%  kept
          HB3   PHE   59 - HA    CYS   50  13.65 +/- 0.96   0.003% *  0.0465% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   59 - HA    TRP   49  17.23 +/- 1.17   0.001% *  0.0493% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 483 (4.58, 3.69, 29.61 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.12, residual support = 86.9:
    * O T HA    TRP   49 - HB2   TRP   49   2.49 +/- 0.16  97.577% * 97.9260% (1.00  10.0 10.00   4.12  86.91) =  99.978%  kept
        T HA    CYS   50 - HB2   TRP   49   4.95 +/- 0.51   2.235% *  0.9263% (0.95   1.0 10.00   0.02   3.09) =   0.022%
        T HA1   GLY  109 - HB2   TRP   49  16.19 +/- 3.58   0.006% *  0.9451% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   47 - HB2   TRP   49   7.33 +/- 0.36   0.178% *  0.0272% (0.28   1.0  1.00   0.02  14.66) =   0.000%
          HA    CYS   21 - HB2   TRP   49  22.10 +/- 3.07   0.001% *  0.0926% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB2   TRP   49  16.06 +/- 2.53   0.002% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   TRP   49  29.34 +/- 4.09   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 484 (3.69, 3.69, 29.61 ppm):
    1 diagonal assignment:
    *     HB2   TRP   49 - HB2   TRP   49  (1.00)  kept
 
    Peak 485 (3.15, 3.69, 29.61 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.0, residual support = 86.9:
    * O T HB3   TRP   49 - HB2   TRP   49   1.75 +/- 0.00 100.000% * 99.9042% (0.84  10.0 10.00   3.00  86.91) = 100.000%  kept
          HB3   PHE   59 - HB2   TRP   49  17.71 +/- 0.99   0.000% *  0.0958% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 486 (4.58, 3.15, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 4.12, residual support = 86.9:
    * O T HA    TRP   49 - HB3   TRP   49   2.42 +/- 0.16  99.144% * 98.7661% (0.84  10.0 10.00   4.12  86.91) =  99.995%  kept
        T HA    CYS   50 - HB3   TRP   49   5.85 +/- 0.22   0.563% *  0.9343% (0.79   1.0 10.00   0.02   3.09) =   0.005%
          HA    ALA   47 - HB3   TRP   49   6.73 +/- 0.48   0.286% *  0.0275% (0.23   1.0  1.00   0.02  14.66) =   0.000%
          HA1   GLY  109 - HB3   TRP   49  17.00 +/- 3.44   0.003% *  0.0953% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB3   TRP   49  21.46 +/- 3.24   0.002% *  0.0934% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HB3   TRP   49  16.64 +/- 2.46   0.002% *  0.0195% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   TRP   49  29.36 +/- 4.29   0.000% *  0.0639% (0.54   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 487 (3.69, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.0, residual support = 86.9:
    * O T HB2   TRP   49 - HB3   TRP   49   1.75 +/- 0.00  99.997% * 99.6151% (0.84  10.0 10.00   3.00  86.91) = 100.000%  kept
          HA    ALA   84 - HB3   TRP   49  13.96 +/- 2.01   0.002% *  0.0942% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HB3   TRP   49  16.36 +/- 3.72   0.001% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   TRP   49  15.28 +/- 2.49   0.001% *  0.0135% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HB3   TRP   49  24.77 +/- 2.62   0.000% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HB3   TRP   49  23.85 +/- 1.84   0.000% *  0.0987% (0.83   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 488 (3.15, 3.15, 29.61 ppm):
    1 diagonal assignment:
    *     HB3   TRP   49 - HB3   TRP   49  (0.70)  kept
 
    Peak 489 (4.58, 4.58, 54.04 ppm):
    2 diagonal assignments:
    *     HA    CYS   50 - HA    CYS   50  (1.00)  kept
          HA    TRP   49 - HA    TRP   49  (0.89)  kept
 
    Peak 490 (2.80, 4.58, 54.04 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 1.62, residual support = 7.02:
    * O T QB    CYS   50 - HA    CYS   50   2.30 +/- 0.15  97.730% * 51.3514% (1.00  10.0 10.00   1.60   7.09) =  98.224%  kept
        T QB    CYS   50 - HA    TRP   49   4.65 +/- 0.42   1.875% * 48.4012% (0.94   1.0 10.00   3.12   3.09) =   1.776%  kept
          QE    LYS+  74 - HA    TRP   49  12.28 +/- 2.68   0.202% *  0.0483% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    CYS   50  11.90 +/- 2.96   0.133% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    CYS   50  10.64 +/- 2.36   0.025% *  0.0512% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    TRP   49  10.84 +/- 3.18   0.033% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    TRP   49  20.78 +/- 2.92   0.002% *  0.0165% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    CYS   50  18.58 +/- 2.41   0.001% *  0.0175% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    CYS   50  28.21 +/- 2.32   0.000% *  0.0411% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    TRP   49  30.92 +/- 2.79   0.000% *  0.0388% (0.75   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (4.58, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 1.6, residual support = 7.09:
    * O T HA    CYS   50 - QB    CYS   50   2.30 +/- 0.15  96.765% * 98.7658% (1.00  10.0 10.00   1.60   7.09) =  99.981%  kept
        T HA    TRP   49 - QB    CYS   50   4.65 +/- 0.42   1.861% *  0.9343% (0.95   1.0 10.00   0.02   3.09) =   0.018%
          HA    ALA   47 - QB    CYS   50   5.27 +/- 0.75   1.113% *  0.0443% (0.45   1.0  1.00   0.02   6.99) =   0.001%
          HA1   GLY  109 - QB    CYS   50  11.90 +/- 3.53   0.219% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  108 - QB    CYS   50  11.19 +/- 2.81   0.041% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    CYS   50  16.94 +/- 2.23   0.001% *  0.0791% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    CYS   50  23.24 +/- 2.62   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 7.09, residual support = 223.6:
    * O T HA    PRO   52 - HD2   PRO   52   3.98 +/- 0.00  96.625% * 99.8323% (1.00  10.0 10.00   7.09 223.61) =  99.999%  kept
          HA    ALA   91 - HD2   PRO   52   9.61 +/- 3.35   2.890% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 111 - HD2   PRO   52  12.25 +/- 2.57   0.306% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HD2   PRO   52  14.73 +/- 2.59   0.176% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HD2   PRO   52  22.38 +/- 1.46   0.003% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.14 A, kept.
 
    Peak 494 (2.63, 3.98, 51.93 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.55, residual support = 223.6:
    * O T HB2   PRO   52 - HD2   PRO   52   3.99 +/- 0.08  99.912% * 99.5699% (1.00  10.0 10.00   6.55 223.61) = 100.000%  kept
        T HG2   MET   96 - HD2   PRO   52  18.42 +/- 2.53   0.073% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HD2   PRO   52  17.44 +/- 0.66   0.015% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 495 (1.84, 3.98, 51.93 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.66, residual support = 223.6:
    * O T HB3   PRO   52 - HD2   PRO   52   3.90 +/- 0.08  88.144% * 98.1836% (1.00  10.0 10.00   6.66 223.61) =  99.996%  kept
          HG2   PRO   93 - HD2   PRO   52   7.50 +/- 3.03   7.850% *  0.0303% (0.31   1.0  1.00   0.02   0.34) =   0.003%
          HG2   ARG+  54 - HD2   PRO   52   6.77 +/- 0.42   3.468% *  0.0368% (0.38   1.0  1.00   0.02   1.74) =   0.001%
          HB3   ASP- 105 - HD2   PRO   52  19.95 +/- 3.35   0.237% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HD2   PRO   52  16.97 +/- 2.83   0.027% *  0.1515% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   52  12.68 +/- 3.32   0.209% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   PRO   52  24.02 +/- 2.15   0.002% *  0.9818% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   PRO   52  23.13 +/- 3.53   0.028% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   52  22.34 +/- 3.01   0.013% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   PRO   52  19.63 +/- 1.05   0.006% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   52  22.63 +/- 2.46   0.004% *  0.0750% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   PRO   52  26.21 +/- 1.76   0.001% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   52  24.69 +/- 3.39   0.012% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   PRO   52  25.96 +/- 2.50   0.001% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 496 (2.32, 3.98, 51.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.49, residual support = 223.6:
    * O T HG2   PRO   52 - HD2   PRO   52   2.36 +/- 0.17  98.874% * 99.6094% (1.00  10.0 10.00   6.49 223.61) =  99.999%  kept
          HG2   MET   92 - HD2   PRO   52   7.19 +/- 4.01   1.115% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU- 114 - HD2   PRO   52  13.24 +/- 2.37   0.006% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD2   PRO   52  16.59 +/- 2.61   0.002% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD2   PRO   52  14.39 +/- 1.11   0.002% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   52  26.59 +/- 2.17   0.000% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD2   PRO   52  34.44 +/- 2.02   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 497 (2.08, 3.98, 51.93 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.49, residual support = 223.6:
    * O T HG3   PRO   52 - HD2   PRO   52   2.81 +/- 0.17  99.380% * 98.5427% (1.00  10.0 10.00   6.49 223.61) = 100.000%  kept
          HB2   PRO   93 - HD2   PRO   52   8.04 +/- 2.90   0.601% *  0.0304% (0.31   1.0  1.00   0.02   0.34) =   0.000%
        T HG2   PRO   58 - HD2   PRO   52  12.58 +/- 1.20   0.018% *  0.9854% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    GLN   32 - HD2   PRO   52  26.97 +/- 1.35   0.000% *  0.1950% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   52  27.47 +/- 3.58   0.000% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   52  20.75 +/- 1.73   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   52  36.31 +/- 5.32   0.000% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   52  26.85 +/- 2.39   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 498 (3.98, 3.98, 51.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   52 - HD2   PRO   52  (1.00)  kept
 
    Peak 499 (4.51, 4.51, 65.44 ppm):
    1 diagonal assignment:
    *     HA    PRO   52 - HA    PRO   52  (1.00)  kept
 
    Peak 500 (2.63, 4.51, 65.44 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.15, residual support = 223.6:
    * O T HB2   PRO   52 - HA    PRO   52   2.41 +/- 0.19  99.997% * 99.5699% (1.00  10.0 10.00   5.15 223.61) = 100.000%  kept
        T HG2   MET   96 - HA    PRO   52  19.27 +/- 2.27   0.001% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HA    PRO   52  15.63 +/- 1.13   0.002% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 501 (1.84, 4.51, 65.44 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.14, residual support = 223.6:
    * O T HB3   PRO   52 - HA    PRO   52   2.63 +/- 0.19  95.814% * 99.2796% (1.00  10.0 10.00   6.14 223.61) =  99.998%  kept
          HG2   ARG+  54 - HA    PRO   52   6.22 +/- 1.24   3.329% *  0.0373% (0.38   1.0  1.00   0.02   1.74) =   0.001%
          HG2   PRO   93 - HA    PRO   52   7.60 +/- 3.70   0.806% *  0.0306% (0.31   1.0  1.00   0.02   0.34) =   0.000%
          HB3   ASP- 105 - HA    PRO   52  19.23 +/- 3.27   0.040% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    PRO   52  19.99 +/- 2.80   0.001% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   52  15.77 +/- 3.16   0.005% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   52  23.07 +/- 2.86   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    PRO   52  18.35 +/- 1.51   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    PRO   52  23.64 +/- 3.21   0.001% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   52  21.95 +/- 2.28   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   52  23.46 +/- 2.61   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   52  24.97 +/- 3.24   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    PRO   52  24.94 +/- 2.66   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   52  27.30 +/- 1.72   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 502 (2.32, 4.51, 65.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 223.6:
    * O T HG2   PRO   52 - HA    PRO   52   3.96 +/- 0.03  91.352% * 99.6094% (1.00  10.0 10.00   5.98 223.61) =  99.994%  kept
          HG2   MET   92 - HA    PRO   52   8.75 +/- 4.31   8.264% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.006%
          QG    GLU- 114 - HA    PRO   52  11.90 +/- 2.20   0.248% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PRO   52  12.14 +/- 0.94   0.124% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    PRO   52  19.56 +/- 2.46   0.012% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   52  29.38 +/- 1.87   0.001% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    PRO   52  35.55 +/- 2.20   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.36 A, kept.
 
    Peak 503 (2.08, 4.51, 65.44 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 223.6:
    * O T HG3   PRO   52 - HA    PRO   52   3.89 +/- 0.03  97.130% * 98.7160% (1.00  10.0 10.00   5.97 223.61) =  99.995%  kept
        T HG2   PRO   58 - HA    PRO   52  10.13 +/- 1.08   0.372% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.004%
          HB2   PRO   93 - HA    PRO   52   8.93 +/- 3.36   2.491% *  0.0305% (0.31   1.0  1.00   0.02   0.34) =   0.001%
          HB2   GLU-  14 - HA    PRO   52  27.98 +/- 3.45   0.001% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   52  25.95 +/- 2.74   0.002% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   52  37.03 +/- 4.66   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   52  23.46 +/- 1.63   0.002% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   52  28.48 +/- 1.38   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.75 A, kept.
 
    Peak 504 (3.98, 4.51, 65.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.09, residual support = 223.6:
    * O T HD2   PRO   52 - HA    PRO   52   3.98 +/- 0.00  99.661% * 99.4673% (1.00  10.0 10.00   7.09 223.61) = 100.000%  kept
          HA    SER   48 - HA    PRO   52  11.43 +/- 1.41   0.285% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    PRO   52  19.33 +/- 2.57   0.011% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    PRO   52  20.69 +/- 1.73   0.007% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    PRO   52  19.40 +/- 2.16   0.013% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HA    PRO   52  20.21 +/- 2.10   0.007% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    PRO   52  23.94 +/- 2.79   0.005% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    PRO   52  20.50 +/- 1.73   0.007% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HA    PRO   52  24.40 +/- 2.29   0.002% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    PRO   52  31.55 +/- 1.71   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    PRO   52  30.56 +/- 1.40   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    PRO   52  32.23 +/- 2.00   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.75 A, kept.
 
    Peak 505 (4.51, 2.63, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.15, residual support = 223.6:
    * O T HA    PRO   52 - HB2   PRO   52   2.41 +/- 0.19  99.653% * 99.4915% (1.00  10.0 10.00   5.15 223.61) = 100.000%  kept
          HA    LYS+ 111 - HB2   PRO   52   9.72 +/- 3.73   0.241% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB2   PRO   52  11.30 +/- 3.75   0.046% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PRO   52 - HG2   MET   96  19.27 +/- 2.27   0.001% *  0.2923% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   MET   96   9.30 +/- 1.02   0.042% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   PRO   52  13.32 +/- 2.67   0.007% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   MET   96  12.82 +/- 1.19   0.006% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   MET   96  16.60 +/- 1.50   0.001% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   MET   96  15.01 +/- 0.86   0.002% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   PRO   52  24.09 +/- 1.75   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 506 (2.63, 2.63, 32.81 ppm):
    2 diagonal assignments:
    *     HB2   PRO   52 - HB2   PRO   52  (1.00)  kept
          HG2   MET   96 - HG2   MET   96  (0.11)  kept
 
    Peak 507 (1.84, 2.63, 32.81 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 223.6:
    * O T HB3   PRO   52 - HB2   PRO   52   1.75 +/- 0.00  96.676% * 98.7825% (1.00  10.0 10.00   6.20 223.61) =  99.999%  kept
          HG2   PRO   93 - HB2   PRO   52   7.10 +/- 4.46   1.793% *  0.0305% (0.31   1.0  1.00   0.02   0.34) =   0.001%
          HG12  ILE  103 - HG2   MET   96   4.41 +/- 1.11   1.337% *  0.0260% (0.26   1.0  1.00   0.02   8.64) =   0.000%
          HB    ILE  103 - HG2   MET   96   5.83 +/- 0.91   0.112% *  0.0119% (0.12   1.0  1.00   0.02   8.64) =   0.000%
          HG2   ARG+  54 - HB2   PRO   52   8.19 +/- 1.14   0.020% *  0.0371% (0.38   1.0  1.00   0.02   1.74) =   0.000%
          HB    VAL   41 - HG2   MET   96   7.32 +/- 1.37   0.033% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   MET   96   8.10 +/- 1.21   0.016% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   MET   96  17.70 +/- 2.64   0.001% *  0.2902% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   52  18.76 +/- 3.51   0.004% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   MET   96   9.08 +/- 0.76   0.006% *  0.0045% (0.05   1.0  1.00   0.02   0.29) =   0.000%
        T QB    LYS+  81 - HB2   PRO   52  19.54 +/- 2.98   0.000% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   52  14.70 +/- 3.60   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   52  22.19 +/- 3.30   0.000% *  0.0886% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   PRO   52  22.66 +/- 3.74   0.000% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   MET   96  17.65 +/- 2.20   0.000% *  0.0448% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   MET   96  15.09 +/- 1.16   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   52  18.91 +/- 1.39   0.000% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   MET   96  13.85 +/- 0.71   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   52  23.01 +/- 3.03   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   52  22.29 +/- 2.27   0.000% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   52  24.22 +/- 3.77   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   MET   96  18.49 +/- 1.17   0.000% *  0.0290% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   MET   96  15.27 +/- 0.66   0.000% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   MET   96  18.25 +/- 2.23   0.000% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   MET   96  20.19 +/- 2.64   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   MET   96  16.81 +/- 1.51   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PRO   52  25.45 +/- 3.06   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   52  27.25 +/- 2.18   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 508 (2.32, 2.63, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 223.6:
    * O T HG2   PRO   52 - HB2   PRO   52   2.84 +/- 0.23  84.715% * 99.2053% (1.00  10.0 10.00   6.10 223.61) =  99.988%  kept
          HG2   MET   92 - HB2   PRO   52   7.57 +/- 5.25  15.139% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.012%
        T HG2   PRO   52 - HG2   MET   96  17.36 +/- 2.87   0.029% *  0.2914% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   PRO   52  11.37 +/- 2.72   0.059% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   96  11.84 +/- 1.54   0.027% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   PRO   52  19.56 +/- 3.02   0.003% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PRO   52  13.31 +/- 0.95   0.009% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   96  15.47 +/- 0.88   0.004% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   96  17.81 +/- 2.18   0.002% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   MET   96  18.28 +/- 2.53   0.009% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   MET   96  20.19 +/- 1.52   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   MET   96  20.51 +/- 0.80   0.001% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB2   PRO   52  29.14 +/- 2.29   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   PRO   52  35.39 +/- 2.75   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 509 (2.08, 2.63, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.09, residual support = 223.6:
    * O T HG3   PRO   52 - HB2   PRO   52   2.38 +/- 0.18  99.476% * 98.0617% (1.00  10.0 10.00   6.09 223.61) = 100.000%  kept
          HB2   PRO   93 - HB2   PRO   52   8.71 +/- 3.91   0.491% *  0.0303% (0.31   1.0  1.00   0.02   0.34) =   0.000%
        T HG2   PRO   58 - HB2   PRO   52  11.27 +/- 1.09   0.013% *  0.9806% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG2   MET   96  18.52 +/- 2.95   0.003% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG2   MET   96  17.82 +/- 2.42   0.002% *  0.2881% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   MET   96  12.74 +/- 0.80   0.005% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   MET   96  14.22 +/- 2.03   0.007% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   MET   96  15.21 +/- 0.94   0.002% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   52  28.74 +/- 3.63   0.000% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   MET   96  19.13 +/- 1.38   0.000% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   MET   96  22.76 +/- 1.75   0.000% *  0.0286% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   52  26.50 +/- 2.95   0.000% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   52  23.03 +/- 2.19   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   52  37.73 +/- 5.01   0.000% *  0.0961% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   MET   96  30.35 +/- 3.63   0.000% *  0.0282% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   52  28.21 +/- 1.92   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 510 (3.98, 2.63, 32.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.55, residual support = 223.6:
    * O T HD2   PRO   52 - HB2   PRO   52   3.99 +/- 0.08  99.424% * 99.0230% (1.00  10.0 10.00   6.55 223.61) = 100.000%  kept
        T HD2   PRO   52 - HG2   MET   96  18.42 +/- 2.53   0.072% *  0.2909% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   PRO   52  11.84 +/- 1.19   0.181% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PRO   52  18.18 +/- 3.07   0.016% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   MET   96  15.10 +/- 2.19   0.046% *  0.0269% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   MET   96  15.59 +/- 1.01   0.031% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   MET   96  15.49 +/- 2.25   0.039% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   MET   96  19.14 +/- 2.52   0.026% *  0.0211% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   PRO   52  19.39 +/- 2.47   0.010% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   MET   96  15.18 +/- 0.67   0.035% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PRO   52  21.66 +/- 1.73   0.005% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   PRO   52  20.02 +/- 2.25   0.009% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   MET   96  17.18 +/- 2.97   0.025% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PRO   52  24.86 +/- 2.90   0.004% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   MET   96  19.03 +/- 1.00   0.009% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   MET   96  17.08 +/- 1.17   0.018% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PRO   52  20.75 +/- 1.73   0.006% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   MET   96  16.83 +/- 1.10   0.019% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PRO   52  23.83 +/- 2.63   0.003% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   MET   96  20.88 +/- 1.00   0.005% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   MET   96  17.67 +/- 0.80   0.014% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PRO   52  31.16 +/- 2.32   0.001% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PRO   52  30.30 +/- 1.88   0.001% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PRO   52  32.08 +/- 2.51   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 511 (4.51, 1.84, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.14, residual support = 223.6:
    * O T HA    PRO   52 - HB3   PRO   52   2.63 +/- 0.19  98.662% * 99.6990% (1.00  10.0 10.00   6.14 223.61) =  99.999%  kept
          HA    LYS+ 111 - HB3   PRO   52   9.19 +/- 3.44   1.221% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   91 - HB3   PRO   52  10.64 +/- 3.47   0.060% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   PRO   52  12.57 +/- 2.64   0.022% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    PRO   52 - QB    LYS+  81  19.99 +/- 2.80   0.001% *  0.1144% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    LYS+  81  12.39 +/- 2.34   0.027% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    LYS+  81  14.14 +/- 1.53   0.005% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   PRO   52  23.42 +/- 1.28   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QB    LYS+  81  23.25 +/- 2.03   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    LYS+  81  21.51 +/- 1.61   0.000% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 512 (2.63, 1.84, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 223.6:
    * O T HB2   PRO   52 - HB3   PRO   52   1.75 +/- 0.00  99.999% * 99.4073% (1.00  10.0 10.00   6.20 223.61) = 100.000%  kept
        T HG2   MET   96 - HB3   PRO   52  17.70 +/- 2.64   0.001% *  0.3731% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - QB    LYS+  81  19.54 +/- 2.98   0.000% *  0.1140% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HB3   PRO   52  15.99 +/- 0.99   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - QB    LYS+  81  17.65 +/- 2.20   0.000% *  0.0428% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - QB    LYS+  81  25.16 +/- 1.47   0.000% *  0.0065% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 513 (1.84, 1.84, 32.81 ppm):
    2 diagonal assignments:
    *     HB3   PRO   52 - HB3   PRO   52  (1.00)  kept
          QB    LYS+  81 - QB    LYS+  81  (0.02)  kept
 
    Peak 514 (2.32, 1.84, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.17, residual support = 223.6:
    * O T HG2   PRO   52 - HB3   PRO   52   2.40 +/- 0.23  88.412% * 99.4355% (1.00  10.0 10.00   6.17 223.61) =  99.992%  kept
          HG2   MET   92 - HB3   PRO   52   6.95 +/- 4.83  11.339% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.008%
          QG    GLU- 114 - HB3   PRO   52  10.81 +/- 2.66   0.034% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    LYS+  81   7.07 +/- 0.75   0.193% *  0.0091% (0.09   1.0  1.00   0.02   0.63) =   0.000%
        T HG2   PRO   52 - QB    LYS+  81  17.39 +/- 2.89   0.001% *  0.1141% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QB    LYS+  81  11.40 +/- 1.80   0.012% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   PRO   52  19.03 +/- 2.67   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   PRO   52  12.88 +/- 1.12   0.004% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    LYS+  81  15.28 +/- 2.95   0.003% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   52  28.56 +/- 1.86   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QB    LYS+  81  21.05 +/- 1.77   0.000% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - QB    LYS+  81  24.49 +/- 1.96   0.000% *  0.0176% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   PRO   52  34.74 +/- 2.22   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    LYS+  81  25.41 +/- 1.97   0.000% *  0.0074% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 515 (2.08, 1.84, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 223.6:
    * O T HG3   PRO   52 - HB3   PRO   52   2.74 +/- 0.19  98.030% * 98.1909% (1.00  10.0 10.00   6.16 223.61) =  99.995%  kept
        T HB2   PRO   93 - HB3   PRO   52   7.95 +/- 3.51   1.560% *  0.3031% (0.31   1.0 10.00   0.02   0.34) =   0.005%
        T HG2   PRO   58 - HB3   PRO   52  10.83 +/- 1.22   0.036% *  0.9819% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QB    LYS+  81   8.34 +/- 2.13   0.360% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   52 - QB    LYS+  81  18.10 +/- 3.08   0.003% *  0.1126% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   58 - QB    LYS+  81  23.75 +/- 1.94   0.000% *  0.1126% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    LYS+  81  15.39 +/- 2.27   0.007% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   52  28.24 +/- 2.97   0.000% *  0.0973% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   52  25.96 +/- 2.41   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   52  22.41 +/- 1.71   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - QB    LYS+  81  17.43 +/- 2.00   0.002% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   52  37.20 +/- 4.32   0.000% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QB    LYS+  81  24.45 +/- 1.83   0.000% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   52  27.61 +/- 1.60   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QB    LYS+  81  29.85 +/- 4.74   0.000% *  0.0110% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    LYS+  81  28.39 +/- 0.93   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 516 (3.98, 1.84, 32.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.66, residual support = 223.6:
    * O T HD2   PRO   52 - HB3   PRO   52   3.90 +/- 0.08  55.029% * 97.9761% (1.00  10.0 10.00   6.66 223.61) =  99.996%  kept
          QB    SER   85 - QB    LYS+  81   4.75 +/- 0.87  25.188% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.003%
          HB2   SER   82 - QB    LYS+  81   4.97 +/- 0.80  18.872% *  0.0038% (0.04   1.0  1.00   0.02  19.20) =   0.001%
          HA    SER   48 - HB3   PRO   52  11.60 +/- 1.07   0.101% *  0.0711% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  81   8.36 +/- 0.70   0.646% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  81  16.97 +/- 2.83   0.018% *  0.1124% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  81  12.86 +/- 2.70   0.098% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   PRO   52  17.70 +/- 2.85   0.008% *  0.0904% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QB    LYS+  81  20.34 +/- 2.28   0.003% *  0.1063% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QB    LYS+  81  17.15 +/- 1.89   0.009% *  0.0280% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB3   PRO   52  30.48 +/- 1.99   0.000% *  0.9268% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   PRO   52  18.98 +/- 2.28   0.005% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB3   PRO   52  21.14 +/- 1.21   0.003% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   PRO   52  19.42 +/- 1.57   0.005% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   PRO   52  24.35 +/- 2.26   0.002% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB3   PRO   52  29.64 +/- 1.50   0.000% *  0.2443% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB3   PRO   52  20.23 +/- 1.78   0.004% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PRO   52  23.29 +/- 2.45   0.002% *  0.0334% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB3   PRO   52  31.42 +/- 2.03   0.000% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QB    LYS+  81  22.52 +/- 1.75   0.002% *  0.0173% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  81  19.27 +/- 0.70   0.004% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    LYS+  81  25.62 +/- 1.14   0.001% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    LYS+  81  25.94 +/- 0.87   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  81  29.38 +/- 1.49   0.000% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.67 A, kept.
 
    Peak 517 (4.51, 2.32, 28.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 223.6:
    * O T HA    PRO   52 - HG2   PRO   52   3.96 +/- 0.03  95.731% * 99.8323% (1.00  10.0 10.00   5.98 223.61) =  99.998%  kept
          HA    ALA   91 - HG2   PRO   52   9.00 +/- 3.70   2.861% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 111 - HG2   PRO   52  10.76 +/- 3.10   1.208% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HG2   PRO   52  13.30 +/- 2.78   0.196% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   52  22.46 +/- 1.49   0.003% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 518 (2.63, 2.32, 28.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.1, residual support = 223.6:
    * O T HB2   PRO   52 - HG2   PRO   52   2.84 +/- 0.23  99.968% * 99.5699% (1.00  10.0 10.00   6.10 223.61) = 100.000%  kept
        T HG2   MET   96 - HG2   PRO   52  17.36 +/- 2.87   0.029% *  0.3737% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HG2   PRO   52  17.19 +/- 0.74   0.002% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 519 (1.84, 2.32, 28.73 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.17, residual support = 223.6:
    * O T HB3   PRO   52 - HG2   PRO   52   2.40 +/- 0.23  96.781% * 99.2796% (1.00  10.0 10.00   6.17 223.61) =  99.999%  kept
          HG2   PRO   93 - HG2   PRO   52   6.58 +/- 3.64   3.061% *  0.0306% (0.31   1.0  1.00   0.02   0.34) =   0.001%
          HG2   ARG+  54 - HG2   PRO   52   8.27 +/- 0.66   0.073% *  0.0373% (0.38   1.0  1.00   0.02   1.74) =   0.000%
          HB3   ASP- 105 - HG2   PRO   52  18.70 +/- 3.60   0.061% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   52  12.38 +/- 3.54   0.014% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   52  17.39 +/- 2.89   0.002% *  0.1532% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   52  21.83 +/- 3.82   0.004% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   52  21.19 +/- 3.30   0.002% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   52  21.98 +/- 2.63   0.000% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   52  19.30 +/- 1.14   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   52  23.62 +/- 3.70   0.002% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   52  23.19 +/- 2.19   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   52  25.65 +/- 2.67   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   52  26.15 +/- 1.79   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 520 (2.32, 2.32, 28.73 ppm):
    1 diagonal assignment:
    *     HG2   PRO   52 - HG2   PRO   52  (1.00)  kept
 
    Peak 521 (2.08, 2.32, 28.73 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.99, residual support = 223.6:
    * O T HG3   PRO   52 - HG2   PRO   52   1.75 +/- 0.00  99.921% * 98.7160% (1.00  10.0 10.00   5.99 223.61) = 100.000%  kept
          HB2   PRO   93 - HG2   PRO   52   7.60 +/- 3.29   0.078% *  0.0305% (0.31   1.0  1.00   0.02   0.34) =   0.000%
        T HG2   PRO   58 - HG2   PRO   52  12.36 +/- 1.32   0.001% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   52  28.05 +/- 3.22   0.000% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   PRO   52  20.91 +/- 1.94   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   PRO   52  26.63 +/- 2.38   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   52  36.89 +/- 4.83   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   PRO   52  26.85 +/- 1.58   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 522 (3.98, 2.32, 28.73 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.49, residual support = 223.6:
    * O T HD2   PRO   52 - HG2   PRO   52   2.36 +/- 0.17  99.970% * 99.4673% (1.00  10.0 10.00   6.49 223.61) = 100.000%  kept
          HA    SER   48 - HG2   PRO   52   9.85 +/- 0.94   0.026% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   52  15.95 +/- 3.04   0.002% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   52  17.31 +/- 2.41   0.001% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   52  19.26 +/- 1.82   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   52  21.84 +/- 1.13   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   52  21.56 +/- 2.60   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   52  24.73 +/- 2.41   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   52  21.60 +/- 1.68   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   PRO   52  29.74 +/- 1.94   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   PRO   52  28.62 +/- 1.61   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   PRO   52  30.85 +/- 2.04   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 523 (4.51, 2.08, 28.73 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 223.6:
    * O T HA    PRO   52 - HG3   PRO   52   3.89 +/- 0.03  93.203% * 98.8988% (1.00  10.0 10.00   5.97 223.61) =  99.995%  kept
        T HA    PRO   52 - HG2   PRO   58  10.13 +/- 1.08   0.350% *  0.8007% (0.81   1.0 10.00   0.02   0.02) =   0.003%
          HA    LYS+ 111 - HG3   PRO   52  11.14 +/- 3.42   0.868% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA   91 - HG3   PRO   52   9.84 +/- 3.95   1.722% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HA    VAL  107 - HG2   PRO   58  11.59 +/- 2.36   3.203% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 111 - HG2   PRO   58  10.03 +/- 2.05   0.571% *  0.0518% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HG3   PRO   52  14.24 +/- 2.77   0.067% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   PRO   58  17.77 +/- 1.62   0.012% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG3   PRO   52  23.69 +/- 1.81   0.002% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   58  22.81 +/- 1.35   0.002% *  0.0421% (0.43   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.28 A, kept.
 
    Peak 524 (2.63, 2.08, 28.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.09, residual support = 223.6:
    * O T HB2   PRO   52 - HG3   PRO   52   2.38 +/- 0.18  99.672% * 98.4337% (1.00  10.0 10.00   6.09 223.61) = 100.000%  kept
          HB2   ASP-  62 - HG2   PRO   58   6.59 +/- 0.99   0.309% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   52 - HG2   PRO   58  11.27 +/- 1.09   0.013% *  0.7969% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG3   PRO   52  18.52 +/- 2.95   0.003% *  0.3694% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG2   PRO   58  17.82 +/- 2.42   0.002% *  0.2991% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HG3   PRO   52  18.09 +/- 0.88   0.001% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 525 (1.84, 2.08, 28.73 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 223.6:
    * O T HB3   PRO   52 - HG3   PRO   52   2.74 +/- 0.19  94.754% * 97.4419% (1.00  10.0 10.00   6.16 223.61) =  99.984%  kept
        T HG2   PRO   93 - HG3   PRO   52   7.69 +/- 3.93   4.746% *  0.3008% (0.31   1.0 10.00   0.02   0.34) =   0.015%
        T HB3   PRO   52 - HG2   PRO   58  10.83 +/- 1.22   0.035% *  0.7889% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG2   PRO   58  10.12 +/- 1.99   0.057% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   PRO   52   8.78 +/- 0.74   0.117% *  0.0366% (0.38   1.0  1.00   0.02   1.74) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58   9.97 +/- 1.54   0.078% *  0.0296% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  14.72 +/- 2.66   0.082% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  19.73 +/- 3.51   0.042% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   58  10.88 +/- 1.28   0.030% *  0.0447% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   58  13.64 +/- 1.60   0.009% *  0.0789% (0.81   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  18.10 +/- 3.08   0.003% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   PRO   52  22.83 +/- 4.02   0.010% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  13.00 +/- 3.81   0.021% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   52  22.27 +/- 3.46   0.003% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   58  21.20 +/- 2.71   0.001% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   PRO   52  24.50 +/- 3.97   0.005% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   58  17.30 +/- 1.72   0.002% *  0.0354% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   PRO   52  23.15 +/- 3.01   0.001% *  0.0745% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   58  20.67 +/- 2.03   0.001% *  0.0603% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   52  20.17 +/- 1.15   0.001% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  23.75 +/- 1.94   0.000% *  0.1217% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   58  21.72 +/- 2.61   0.001% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   PRO   52  23.99 +/- 2.23   0.000% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  21.54 +/- 1.91   0.001% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   PRO   52  26.65 +/- 2.92   0.000% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   58  22.26 +/- 2.31   0.001% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  24.29 +/- 1.52   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  27.23 +/- 2.17   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.07 A, kept.
 
    Peak 526 (2.32, 2.08, 28.73 ppm):
    14 chemical-shift based assignments, quality = 0.98, support = 5.95, residual support = 221.9:
    * O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  82.866% * 86.8129% (1.00  10.0 10.00   5.99 223.61) =  97.748%  kept
      O T HB2   PRO   58 - HG2   PRO   58   2.34 +/- 0.14  15.273% * 10.8440% (0.12  10.0 10.00   4.29 147.38) =   2.250%  kept
          HG2   MET   92 - HG3   PRO   52   6.79 +/- 5.15   1.851% *  0.0562% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HG2   PRO   52 - HG2   PRO   58  12.36 +/- 1.32   0.001% *  0.7028% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   PRO   58   9.78 +/- 2.03   0.007% *  0.0510% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   PRO   52  12.49 +/- 2.69   0.001% *  0.0630% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  15.02 +/- 1.01   0.000% *  0.1339% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   PRO   52  18.40 +/- 3.17   0.000% *  0.0695% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   PRO   58  14.28 +/- 1.97   0.000% *  0.0455% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   PRO   58  21.92 +/- 1.56   0.000% *  0.0563% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   PRO   58  31.88 +/- 2.08   0.000% *  0.4547% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   PRO   52  35.41 +/- 2.67   0.000% *  0.5616% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  28.10 +/- 2.38   0.000% *  0.0821% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  30.22 +/- 1.50   0.000% *  0.0665% (0.77   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 527 (2.08, 2.08, 28.73 ppm):
    2 diagonal assignments:
    *     HG3   PRO   52 - HG3   PRO   52  (1.00)  kept
          HG2   PRO   58 - HG2   PRO   58  (0.81)  kept
 
    Peak 528 (3.98, 2.08, 28.73 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.49, residual support = 223.6:
    * O T HD2   PRO   52 - HG3   PRO   52   2.81 +/- 0.17  99.892% * 96.1754% (1.00  10.0 10.00   6.49 223.61) = 100.000%  kept
        T HD2   PRO   52 - HG2   PRO   58  12.58 +/- 1.20   0.018% *  0.7786% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   PRO   52  10.52 +/- 1.17   0.043% *  0.0698% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   58  13.06 +/- 0.78   0.011% *  0.0441% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   PRO   52  16.67 +/- 3.28   0.004% *  0.0888% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   58  12.54 +/- 1.17   0.016% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   PRO   58  16.84 +/- 2.31   0.004% *  0.0565% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   58  15.11 +/- 1.26   0.005% *  0.0216% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   PRO   52  17.98 +/- 2.61   0.002% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   58  17.36 +/- 1.34   0.002% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG2   PRO   58  29.21 +/- 1.56   0.000% *  0.7365% (0.77   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   PRO   52  30.92 +/- 2.32   0.000% *  0.9098% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   PRO   52  20.42 +/- 2.34   0.001% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG3   PRO   52  22.82 +/- 1.54   0.000% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   58  23.98 +/- 1.67   0.000% *  0.0719% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   PRO   52  29.80 +/- 1.93   0.000% *  0.2398% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   PRO   52  25.74 +/- 2.98   0.000% *  0.0468% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   PRO   52  22.50 +/- 2.73   0.001% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG2   PRO   58  29.07 +/- 1.39   0.000% *  0.1941% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG2   PRO   58  28.88 +/- 1.59   0.000% *  0.1201% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   58  24.11 +/- 1.53   0.000% *  0.0379% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   PRO   52  22.41 +/- 1.67   0.000% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   PRO   52  32.05 +/- 2.47   0.000% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   58  27.17 +/- 1.81   0.000% *  0.0266% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 529 (4.17, 4.17, 63.73 ppm):
    1 diagonal assignment:
    *     HA    CYS   53 - HA    CYS   53  (1.00)  kept
 
    Peak 530 (3.83, 4.17, 63.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 44.1:
    * O T HB2   CYS   53 - HA    CYS   53   2.97 +/- 0.11  97.493% * 99.5207% (1.00  10.0 10.00   2.96  44.07) =  99.998%  kept
          HD3   PRO   52 - HA    CYS   53   6.25 +/- 0.06   1.151% *  0.0684% (0.69   1.0  1.00   0.02  53.89) =   0.001%
          HD2   PRO   58 - HA    CYS   53   6.88 +/- 1.29   1.351% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HB3   SER   82 - HA    CYS   53  20.90 +/- 2.38   0.001% *  0.1970% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    CYS   53  18.05 +/- 2.01   0.003% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    CYS   53  24.15 +/- 1.34   0.000% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HA    CYS   53  26.36 +/- 2.37   0.000% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 531 (3.34, 4.17, 63.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.27, residual support = 44.1:
    * O T HB3   CYS   53 - HA    CYS   53   2.56 +/- 0.18  90.833% * 99.5685% (1.00  10.0 10.00   3.27  44.07) =  99.991%  kept
          HD3   PRO   93 - HA    CYS   53   5.53 +/- 3.21   5.136% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.005%
          QB    PHE   55 - HA    CYS   53   4.48 +/- 0.32   3.723% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.004%
          HD2   ARG+  54 - HA    CYS   53   7.61 +/- 0.54   0.150% *  0.0987% (0.99   1.0  1.00   0.02  31.51) =   0.000%
          HB2   PHE   59 - HA    CYS   53   7.78 +/- 0.85   0.157% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    CYS   53  20.10 +/- 1.45   0.000% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 532 (4.17, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 44.1:
    * O T HA    CYS   53 - HB2   CYS   53   2.97 +/- 0.11  99.988% * 98.9901% (1.00  10.0 10.00   2.96  44.07) = 100.000%  kept
        T HA    GLU-  25 - HB2   CYS   53  23.06 +/- 1.73   0.001% *  0.6800% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HB2   CYS   53  19.61 +/- 2.33   0.002% *  0.1734% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   CYS   53  17.74 +/- 1.96   0.003% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   CYS   53  16.19 +/- 2.28   0.006% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   CYS   53  22.89 +/- 1.69   0.001% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 533 (3.83, 3.83, 34.62 ppm):
    1 diagonal assignment:
    *     HB2   CYS   53 - HB2   CYS   53  (1.00)  kept
 
    Peak 534 (3.34, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.33, residual support = 44.1:
    * O T HB3   CYS   53 - HB2   CYS   53   1.75 +/- 0.00  98.415% * 99.5685% (1.00  10.0 10.00   3.33  44.07) =  99.998%  kept
          HD3   PRO   93 - HB2   CYS   53   6.04 +/- 2.60   1.498% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QB    PHE   55 - HB2   CYS   53   6.27 +/- 0.22   0.048% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB2   CYS   53   6.87 +/- 0.68   0.036% *  0.0987% (0.99   1.0  1.00   0.02  31.51) =   0.000%
          HB2   PHE   59 - HB2   CYS   53   9.84 +/- 0.75   0.004% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   CYS   53  21.37 +/- 1.39   0.000% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 535 (4.17, 3.34, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.27, residual support = 44.1:
    * O T HA    CYS   53 - HB3   CYS   53   2.56 +/- 0.18  99.993% * 99.7562% (1.00  10.0 10.00   3.27  44.07) = 100.000%  kept
          HA    ILE   19 - HB3   CYS   53  17.74 +/- 2.03   0.001% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   CYS   53  15.52 +/- 2.53   0.004% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HB3   CYS   53  22.82 +/- 1.84   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   CYS   53  19.32 +/- 2.53   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   CYS   53  22.71 +/- 1.80   0.000% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 536 (3.83, 3.34, 34.62 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.33, residual support = 44.1:
    * O T HB2   CYS   53 - HB3   CYS   53   1.75 +/- 0.00  99.885% * 99.6975% (1.00  10.0 10.00   3.33  44.07) = 100.000%  kept
          HD3   PRO   52 - HB3   CYS   53   5.88 +/- 0.51   0.080% *  0.0685% (0.69   1.0  1.00   0.02  53.89) =   0.000%
          HD2   PRO   58 - HB3   CYS   53   8.56 +/- 1.71   0.035% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   CYS   53  16.79 +/- 2.29   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   CYS   53  19.41 +/- 2.67   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB3   CYS   53  23.57 +/- 1.45   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB3   CYS   53  26.72 +/- 2.14   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 537 (3.34, 3.34, 34.62 ppm):
    1 diagonal assignment:
    *     HB3   CYS   53 - HB3   CYS   53  (1.00)  kept
 
    Peak 538 (4.11, 4.11, 59.18 ppm):
    2 diagonal assignments:
    *     HA    ARG+  54 - HA    ARG+  54  (1.00)  kept
          HA    LEU  115 - HA    LEU  115  (0.19)  kept
 
    Peak 539 (2.05, 4.11, 59.18 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 169.8:
    * O T HB2   ARG+  54 - HA    ARG+  54   2.79 +/- 0.07  97.050% * 98.6035% (1.00  10.0 10.00   5.66 169.81) =  99.999%  kept
          HB    ILE  119 - HA    LEU  115   5.39 +/- 0.50   2.269% *  0.0263% (0.27   1.0  1.00   0.02   9.71) =   0.001%
          HB2   PRO   93 - HA    ARG+  54   8.37 +/- 2.59   0.373% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LEU  115  10.09 +/- 2.05   0.169% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LEU  115   8.66 +/- 0.49   0.115% *  0.0301% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    LEU  115  14.09 +/- 1.43   0.008% *  0.3034% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ARG+  54  15.06 +/- 1.61   0.007% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    ARG+  54  15.56 +/- 1.65   0.005% *  0.0977% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    ARG+  54  23.73 +/- 3.12   0.000% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ARG+  54  23.01 +/- 1.99   0.000% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ARG+  54  24.00 +/- 2.14   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU  115  21.56 +/- 1.18   0.000% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  17.80 +/- 1.62   0.002% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    LEU  115  24.75 +/- 1.84   0.000% *  0.0468% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ARG+  54  21.96 +/- 1.92   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    ARG+  54  32.79 +/- 4.10   0.000% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU  115  22.35 +/- 0.87   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ARG+  54  30.09 +/- 2.61   0.000% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  23.26 +/- 1.25   0.000% *  0.0172% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    LEU  115  33.62 +/- 2.29   0.000% *  0.0531% (0.05   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.14 A, kept.
 
    Peak 540 (1.86, 4.11, 59.18 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 169.8:
    * O T HG2   ARG+  54 - HA    ARG+  54   2.52 +/- 0.60  97.576% * 96.1276% (1.00  10.0 10.00   5.69 169.81) =  99.998%  kept
        T HB3   PRO   52 - HA    ARG+  54   7.56 +/- 0.29   0.327% *  0.3608% (0.38   1.0 10.00   0.02   1.74) =   0.001%
          HB    ILE   56 - HA    ARG+  54   6.64 +/- 0.63   0.998% *  0.0395% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LEU  115   7.33 +/- 1.40   0.572% *  0.0122% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LEU  115   7.92 +/- 0.47   0.252% *  0.0247% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LEU  115   8.40 +/- 0.71   0.182% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LEU  115  14.51 +/- 1.73   0.009% *  0.2958% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LEU  115  12.15 +/- 1.92   0.020% *  0.1110% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    ARG+  54  19.42 +/- 3.05   0.002% *  0.8338% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LEU  115  16.97 +/- 2.22   0.003% *  0.2932% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ARG+  54  18.77 +/- 3.01   0.007% *  0.0959% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    ARG+  54  21.98 +/- 1.82   0.001% *  0.9528% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ARG+  54  15.37 +/- 1.85   0.006% *  0.0803% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LEU  115  11.28 +/- 0.98   0.028% *  0.0111% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ARG+  54  17.19 +/- 2.84   0.003% *  0.0887% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  115  15.23 +/- 0.70   0.005% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LEU  115  23.15 +/- 1.29   0.000% *  0.2566% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ARG+  54  23.76 +/- 2.72   0.000% *  0.0959% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ARG+  54  20.37 +/- 2.51   0.001% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ARG+  54  24.78 +/- 1.69   0.000% *  0.0928% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  115  15.28 +/- 1.07   0.005% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  115  19.78 +/- 1.21   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    ARG+  54  22.82 +/- 2.70   0.001% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  115  22.59 +/- 1.11   0.000% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ARG+  54  23.05 +/- 1.96   0.001% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LEU  115  21.72 +/- 0.80   0.001% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ARG+  54  30.09 +/- 2.20   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LEU  115  23.45 +/- 1.12   0.000% *  0.0082% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.11 A, kept.
 
    Peak 541 (3.34, 4.11, 59.18 ppm):
    12 chemical-shift based assignments, quality = 0.994, support = 5.47, residual support = 160.5:
    *   T HD2   ARG+  54 - HA    ARG+  54   3.72 +/- 0.76  68.166% * 72.3259% (1.00 10.00   5.55 169.81) =  93.921%  kept
          QB    PHE   55 - HA    ARG+  54   5.10 +/- 0.08  13.107% * 12.2827% (0.80  1.00   4.24   3.49) =   3.067%  kept
          HB3   CYS   53 - HA    ARG+  54   5.29 +/- 0.57  10.592% * 14.9123% (0.99  1.00   4.16  31.51) =   3.009%  kept
          HD3   PRO   93 - HA    ARG+  54   8.95 +/- 2.45   1.141% *  0.0649% (0.90  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HA    LEU  115   6.03 +/- 0.94   5.673% *  0.0117% (0.16  1.00   0.02  29.11) =   0.001%
          HB2   PHE   59 - HA    ARG+  54   9.00 +/- 0.90   0.490% *  0.0381% (0.53  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HA    LEU  115   9.29 +/- 1.21   0.369% *  0.0178% (0.25  1.00   0.02   4.72) =   0.000%
          HB3   CYS   53 - HA    LEU  115  12.23 +/- 2.04   0.268% *  0.0221% (0.30  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HA    LEU  115  15.38 +/- 1.68   0.018% *  0.2226% (0.31 10.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    LEU  115  11.65 +/- 1.73   0.154% *  0.0200% (0.28  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    LEU  115  15.51 +/- 1.31   0.018% *  0.0193% (0.27  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    ARG+  54  20.38 +/- 1.67   0.004% *  0.0627% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 542 (4.11, 2.05, 30.44 ppm):
    27 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 169.8:
    * O T HA    ARG+  54 - HB2   ARG+  54   2.79 +/- 0.07  99.972% * 98.5625% (1.00  10.0 10.00   5.66 169.81) = 100.000%  kept
        T HA    LEU  115 - HB2   ARG+  54  14.09 +/- 1.43   0.008% *  0.5978% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ARG+  54  26.20 +/- 3.52   0.001% *  0.0966% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ARG+  54  21.15 +/- 3.44   0.001% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB2   GLU-  14  23.73 +/- 3.12   0.000% *  0.1449% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   GLU-  14  14.92 +/- 2.08   0.006% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ARG+  54  17.13 +/- 1.43   0.002% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB2   GLU-  14  24.75 +/- 1.84   0.000% *  0.0879% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   GLU-  14  18.90 +/- 2.00   0.001% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   GLU-  14  19.21 +/- 2.38   0.001% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   MET   11  19.72 +/- 4.12   0.002% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   MET   11  21.30 +/- 4.96   0.002% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   ARG+  54  27.22 +/- 2.48   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   GLU-  14  23.27 +/- 4.08   0.001% *  0.0142% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   MET   11  24.00 +/- 4.77   0.001% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG2   MET   11  32.79 +/- 4.10   0.000% *  0.0953% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ARG+  54  28.69 +/- 2.79   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ARG+  54  29.67 +/- 3.00   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   MET   11  33.62 +/- 2.29   0.000% *  0.0578% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ARG+  54  35.05 +/- 2.84   0.000% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   GLU-  14  23.54 +/- 3.06   0.000% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   GLU-  14  26.25 +/- 1.85   0.000% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   MET   11  29.62 +/- 5.01   0.000% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   MET   11  32.80 +/- 5.01   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   MET   11  28.95 +/- 4.91   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   GLU-  14  28.96 +/- 1.88   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   MET   11  37.69 +/- 2.24   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.93, residual support = 169.8:
    * O T HD2   ARG+  54 - HB2   ARG+  54   2.43 +/- 0.40  96.469% * 97.3460% (1.00  10.0 10.00   4.93 169.81) =  99.997%  kept
          QB    PHE   55 - HB2   ARG+  54   4.62 +/- 0.37   3.091% *  0.0779% (0.80   1.0  1.00   0.02   3.49) =   0.003%
        T HD3   PRO   93 - HB2   ARG+  54  10.07 +/- 2.67   0.038% *  0.8730% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB2   ARG+  54   6.92 +/- 0.54   0.293% *  0.0965% (0.99   1.0  1.00   0.02  31.51) =   0.000%
          HB2   PHE   59 - HB2   ARG+  54  10.74 +/- 1.14   0.099% *  0.0512% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   ARG+  54  22.22 +/- 2.32   0.001% *  0.8444% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   GLU-  14  13.74 +/- 2.00   0.007% *  0.1242% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HB2   GLU-  14  25.93 +/- 3.41   0.000% *  0.1432% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   MET   11  21.28 +/- 2.59   0.000% *  0.0816% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG2   MET   11  34.82 +/- 5.00   0.000% *  0.0941% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HB2   GLU-  14  26.24 +/- 2.19   0.000% *  0.1284% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   GLU-  14  23.83 +/- 2.70   0.001% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG2   MET   11  35.00 +/- 3.30   0.000% *  0.0844% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB2   GLU-  14  24.13 +/- 2.97   0.000% *  0.0142% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   GLU-  14  20.81 +/- 2.20   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   11  31.94 +/- 3.57   0.000% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   11  33.04 +/- 4.43   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   11  29.91 +/- 2.22   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 550 (4.11, 3.34, 43.59 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.55, residual support = 169.8:
    *   T HA    ARG+  54 - HD2   ARG+  54   3.72 +/- 0.76  99.933% * 99.0328% (1.00 10.00   5.55 169.81) = 100.000%  kept
        T HA    LEU  115 - HD2   ARG+  54  15.38 +/- 1.68   0.034% *  0.6007% (0.61 10.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   ARG+  54  21.19 +/- 4.08   0.011% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HD2   ARG+  54  27.21 +/- 3.54   0.006% *  0.0971% (0.98  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD2   ARG+  54  18.41 +/- 1.66   0.013% *  0.0173% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HD2   ARG+  54  27.70 +/- 3.03   0.001% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HD2   ARG+  54  29.37 +/- 2.95   0.001% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HD2   ARG+  54  30.63 +/- 3.26   0.001% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   ARG+  54  35.71 +/- 3.03   0.000% *  0.0521% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.03 A, kept.
 
    Peak 551 (2.05, 3.34, 43.59 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.93, residual support = 169.8:
    * O T HB2   ARG+  54 - HD2   ARG+  54   2.43 +/- 0.40  97.973% * 97.9068% (1.00  10.0 10.00   4.93 169.81) =  99.982%  kept
        T HB2   PRO   93 - HD2   ARG+  54  10.92 +/- 2.98   2.022% *  0.8493% (0.87   1.0 10.00   0.02   0.02) =   0.018%
          HB    VAL  108 - HD2   ARG+  54  18.01 +/- 2.15   0.002% *  0.0970% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   ARG+  54  26.56 +/- 3.20   0.000% *  0.5543% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   ARG+  54  17.59 +/- 1.65   0.002% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   ARG+  54  25.68 +/- 3.10   0.000% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD2   ARG+  54  25.93 +/- 3.41   0.000% *  0.1511% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD2   ARG+  54  34.82 +/- 5.00   0.000% *  0.1715% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   ARG+  54  24.47 +/- 2.38   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   ARG+  54  33.03 +/- 3.46   0.000% *  0.0784% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 552 (1.86, 3.34, 43.59 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.79, residual support = 169.8:
    * O T HG2   ARG+  54 - HD2   ARG+  54   2.73 +/- 0.18  99.767% * 97.2335% (1.00  10.0 10.00   4.79 169.81) =  99.999%  kept
        T HB3   PRO   52 - HD2   ARG+  54   8.91 +/- 1.22   0.155% *  0.3649% (0.38   1.0 10.00   0.02   1.74) =   0.001%
          HB    ILE   56 - HD2   ARG+  54   9.34 +/- 0.73   0.070% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HD2   ARG+  54  20.61 +/- 3.94   0.001% *  0.8434% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD2   ARG+  54  24.56 +/- 2.14   0.000% *  0.9637% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   ARG+  54  18.59 +/- 2.80   0.002% *  0.0898% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   ARG+  54  17.84 +/- 2.38   0.002% *  0.0812% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   ARG+  54  21.62 +/- 3.35   0.002% *  0.0970% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   ARG+  54  26.55 +/- 3.59   0.000% *  0.0970% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   ARG+  54  22.83 +/- 2.55   0.000% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   ARG+  54  27.18 +/- 2.58   0.000% *  0.0938% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   ARG+  54  25.69 +/- 3.57   0.000% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   ARG+  54  25.67 +/- 3.12   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD2   ARG+  54  32.98 +/- 3.10   0.000% *  0.0270% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.57, residual support = 20.3:
    * O T QB    PHE   55 - HA    PHE   55   2.49 +/- 0.12  98.877% * 99.2105% (1.00  10.0 10.00   3.57  20.31) =  99.999%  kept
          HD2   ARG+  54 - HA    PHE   55   5.84 +/- 0.71   0.830% *  0.0794% (0.80   1.0  1.00   0.02   3.49) =   0.001%
          HB2   PHE   59 - HA    PHE   55   8.19 +/- 1.08   0.134% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    PHE   55   8.05 +/- 0.35   0.096% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    PHE   55  10.46 +/- 3.04   0.035% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    PHE   55 - HA    VAL   42  16.35 +/- 1.63   0.002% *  0.2335% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    VAL   42  11.82 +/- 1.52   0.013% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    VAL   42  12.20 +/- 1.03   0.009% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   55  20.03 +/- 2.25   0.001% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    VAL   42  15.85 +/- 1.39   0.002% *  0.0203% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    VAL   42  15.84 +/- 0.77   0.002% *  0.0229% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    VAL   42  20.76 +/- 2.74   0.001% *  0.0187% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 556 (4.45, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.57, residual support = 20.3:
    * O T HA    PHE   55 - QB    PHE   55   2.49 +/- 0.12  97.184% * 99.2581% (1.00  10.0 10.00   3.57  20.31) =  99.997%  kept
          HA    ALA  110 - QB    PHE   55   7.17 +/- 3.90   2.811% *  0.0861% (0.87   1.0  1.00   0.02   0.16) =   0.003%
        T HA    VAL   42 - QB    PHE   55  16.35 +/- 1.63   0.002% *  0.5620% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    PHE   55  14.99 +/- 2.41   0.003% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.4, residual support = 123.4:
    * O T HB    ILE   56 - HA    ILE   56   2.53 +/- 0.21  99.045% * 98.8500% (1.00  10.0 10.00   4.40 123.41) =  99.996%  kept
        T HB3   PRO   58 - HA    ILE   56   6.03 +/- 0.66   0.706% *  0.4812% (0.49   1.0 10.00   0.02   0.02) =   0.003%
          HB3   ASP- 105 - HA    ILE   56  14.18 +/- 2.47   0.106% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ILE   56   8.20 +/- 0.75   0.111% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ILE   56  12.28 +/- 1.64   0.014% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    ILE   56  11.78 +/- 1.66   0.014% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE   56  18.79 +/- 2.09   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE   56  18.47 +/- 1.97   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ILE   56  20.40 +/- 2.07   0.001% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE   56  21.59 +/- 2.17   0.000% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ILE   56  22.44 +/- 1.19   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE   56  23.72 +/- 1.52   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE   56  26.99 +/- 2.06   0.000% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 560 (1.27, 4.38, 60.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 123.4:
    * O   QG2   ILE   56 - HA    ILE   56   2.95 +/- 0.31  99.935% * 98.4757% (1.00  10.0  1.00   4.72 123.41) = 100.000%  kept
          QB    ALA   91 - HA    ILE   56  12.49 +/- 1.00   0.022% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   56  12.99 +/- 1.77   0.033% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   56  22.58 +/- 2.68   0.001% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HA    ILE   56  28.30 +/- 2.61   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ILE   56  18.62 +/- 1.57   0.002% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   56  19.31 +/- 1.37   0.002% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ILE   56  19.89 +/- 1.63   0.001% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   56  19.61 +/- 1.49   0.002% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   56  20.59 +/- 1.43   0.001% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 561 (1.72, 4.38, 60.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 123.4:
    * O T QG1   ILE   56 - HA    ILE   56   2.78 +/- 0.39  99.911% * 97.9351% (1.00  10.0 10.00   3.76 123.41) = 100.000%  kept
        T QD    LYS+ 106 - HA    ILE   56  13.61 +/- 2.19   0.011% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    ILE   56  10.41 +/- 1.83   0.070% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HA    ILE   56  19.66 +/- 2.62   0.002% *  0.5153% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - HA    ILE   56  21.14 +/- 2.21   0.001% *  0.9600% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HA    ILE   56  17.37 +/- 1.65   0.002% *  0.0634% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    ILE   56  17.43 +/- 1.48   0.002% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.07 A, kept.
 
    Peak 563 (4.38, 1.88, 41.57 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.4, residual support = 123.4:
    * O T HA    ILE   56 - HB    ILE   56   2.53 +/- 0.21  99.776% * 98.4172% (1.00  10.0 10.00   4.40 123.41) =  99.999%  kept
        T HA    PRO   58 - HB    ILE   56   7.78 +/- 0.91   0.195% *  0.2736% (0.28   1.0 10.00   0.02   0.02) =   0.001%
        T HA    LEU  123 - HB    ILE   56  16.77 +/- 1.88   0.002% *  0.9647% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB    ILE   56  10.64 +/- 1.72   0.025% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB    ILE   56  21.02 +/- 2.14   0.001% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    ILE   56  20.14 +/- 1.81   0.001% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB    ILE   56  26.71 +/- 1.60   0.000% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    ILE   56  20.89 +/- 1.35   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB    ILE   56  27.07 +/- 1.84   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 564 (1.88, 1.88, 41.57 ppm):
    1 diagonal assignment:
    *     HB    ILE   56 - HB    ILE   56  (1.00)  kept
 
    Peak 565 (1.27, 1.88, 41.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.53, residual support = 123.4:
    * O T QG2   ILE   56 - HB    ILE   56   2.11 +/- 0.02  99.987% * 98.4757% (1.00  10.0 10.00   5.53 123.41) = 100.000%  kept
          QB    ALA   91 - HB    ILE   56  11.04 +/- 1.76   0.007% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   56  12.63 +/- 2.17   0.005% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   56  22.14 +/- 2.57   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HB    ILE   56  27.91 +/- 2.30   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   56  18.89 +/- 1.25   0.000% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB    ILE   56  18.56 +/- 1.49   0.000% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HB    ILE   56  19.31 +/- 2.04   0.000% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   56  19.82 +/- 1.50   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   56  20.43 +/- 1.12   0.000% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 566 (1.72, 1.88, 41.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.46, residual support = 123.4:
    * O T QG1   ILE   56 - HB    ILE   56   2.29 +/- 0.11  99.892% * 98.7886% (1.00  10.0 10.00   4.46 123.41) = 100.000%  kept
        T QD    LYS+ 106 - HB    ILE   56  12.49 +/- 1.74   0.006% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    ILE   56   8.64 +/- 2.90   0.098% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HB    ILE   56  19.33 +/- 2.66   0.002% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB    ILE   56  15.80 +/- 2.44   0.002% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB    ILE   56  20.60 +/- 2.11   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    ILE   56  16.92 +/- 1.61   0.001% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 569 (1.88, 1.27, 17.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.53, residual support = 123.4:
    * O T HB    ILE   56 - QG2   ILE   56   2.11 +/- 0.02  99.629% * 98.4311% (1.00  10.0 10.00   5.53 123.41) = 100.000%  kept
          HG2   ARG+  54 - QG2   ILE   56   6.59 +/- 0.96   0.160% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG2   ILE   56   7.91 +/- 2.36   0.074% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG2   ILE   56   7.17 +/- 0.44   0.072% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   ILE   56  11.39 +/- 1.72   0.040% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   ILE   56   9.08 +/- 1.09   0.020% *  0.0752% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE   56  13.54 +/- 2.39   0.002% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QG2   ILE   56  21.70 +/- 2.02   0.000% *  0.9499% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE   56  16.08 +/- 2.32   0.001% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE   56  15.80 +/- 2.10   0.001% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   ILE   56  17.27 +/- 1.42   0.000% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   ILE   56  15.71 +/- 1.54   0.001% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE   56  18.73 +/- 1.42   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 570 (1.27, 1.27, 17.92 ppm):
    1 diagonal assignment:
    *     QG2   ILE   56 - QG2   ILE   56  (1.00)  kept
 
    Peak 571 (1.72, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 123.4:
    * O T QG1   ILE   56 - QG2   ILE   56   2.24 +/- 0.18  99.533% * 98.7886% (1.00  10.0 10.00   4.72 123.41) = 100.000%  kept
          HB3   MET   92 - QG2   ILE   56   6.75 +/- 2.49   0.434% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QG2   ILE   56  10.32 +/- 1.40   0.014% *  0.4809% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG2   ILE   56  15.86 +/- 2.46   0.009% *  0.5197% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QG2   ILE   56  12.29 +/- 2.24   0.005% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG2   ILE   56  16.84 +/- 2.04   0.001% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG2   ILE   56  13.05 +/- 1.84   0.004% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 573 (4.38, 1.72, 31.79 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 123.4:
    * O T HA    ILE   56 - QG1   ILE   56   2.78 +/- 0.39  98.776% * 98.1263% (1.00  10.0 10.00   3.76 123.41) =  99.999%  kept
        T HA    ASP- 113 - QG1   ILE   56   9.42 +/- 1.32   0.087% *  0.6348% (0.65   1.0 10.00   0.02   0.02) =   0.001%
          HA    PRO   58 - QG1   ILE   56   6.45 +/- 0.61   1.118% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  99 - QG1   ILE   56  17.22 +/- 1.65   0.002% *  0.9282% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QG1   ILE   56  13.82 +/- 1.03   0.009% *  0.0962% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QG1   ILE   56  16.42 +/- 1.44   0.003% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG1   ILE   56  17.40 +/- 1.25   0.003% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QG1   ILE   56  22.32 +/- 1.31   0.001% *  0.0979% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QG1   ILE   56  23.01 +/- 1.55   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.03 A, kept.
 
    Peak 574 (1.88, 1.72, 31.79 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.46, residual support = 123.4:
    * O T HB    ILE   56 - QG1   ILE   56   2.29 +/- 0.11  99.631% * 98.6066% (1.00  10.0 10.00   4.46 123.41) =  99.999%  kept
        T QB    LYS+ 106 - QG1   ILE   56   8.96 +/- 1.33   0.044% *  0.7536% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG1   ILE   56   6.97 +/- 0.73   0.195% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG1   ILE   56   9.06 +/- 2.22   0.052% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG1   ILE   56   8.53 +/- 1.09   0.050% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG1   ILE   56  10.81 +/- 1.38   0.022% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG1   ILE   56  15.46 +/- 2.36   0.002% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG1   ILE   56  15.67 +/- 1.98   0.002% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG1   ILE   56  18.06 +/- 2.28   0.001% *  0.0716% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG1   ILE   56  15.93 +/- 1.26   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG1   ILE   56  18.24 +/- 1.44   0.000% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG1   ILE   56  19.62 +/- 1.52   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG1   ILE   56  22.24 +/- 1.54   0.000% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 575 (1.27, 1.72, 31.79 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 123.4:
    * O T QG2   ILE   56 - QG1   ILE   56   2.24 +/- 0.18  99.944% * 98.4757% (1.00  10.0 10.00   4.72 123.41) = 100.000%  kept
          QB    ALA   91 - QG1   ILE   56   9.91 +/- 1.53   0.025% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QG1   ILE   56  10.44 +/- 2.03   0.026% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG1   ILE   56  18.23 +/- 1.96   0.001% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QG1   ILE   56  15.61 +/- 1.14   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QG1   ILE   56  23.36 +/- 1.94   0.000% *  0.9315% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QG1   ILE   56  15.29 +/- 1.33   0.001% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   ILE   56  16.58 +/- 1.99   0.001% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG1   ILE   56  16.44 +/- 1.68   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG1   ILE   56  16.77 +/- 1.26   0.001% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.926, support = 6.55, residual support = 143.1:
    * O T HA    PRO   58 - HD2   PRO   58   3.79 +/- 0.00  40.001% * 97.5352% (0.95  10.0 10.00   6.70 147.38) =  97.110%  kept
          HA    ILE   56 - HD2   PRO   58   3.54 +/- 0.67  59.903% *  1.9382% (0.26   1.0  1.00   1.43   0.02) =   2.890%  kept
          HA    THR   46 - HD2   PRO   58  11.51 +/- 1.71   0.067% *  0.0592% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   58  14.26 +/- 1.62   0.017% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HD2   PRO   58  16.69 +/- 1.25   0.006% *  0.0366% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   58  19.50 +/- 0.98   0.002% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   58  21.61 +/- 2.16   0.002% *  0.0941% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   58  25.50 +/- 1.31   0.000% *  0.0973% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD2   PRO   58  22.90 +/- 2.66   0.002% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   58  29.47 +/- 1.96   0.000% *  0.0513% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HD2   PRO   58  28.29 +/- 2.02   0.000% *  0.0243% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 584 (2.35, 3.81, 50.93 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 6.94, residual support = 147.4:
    * O T HB2   PRO   58 - HD2   PRO   58   4.06 +/- 0.18  98.817% * 99.3830% (0.95  10.0 10.00   6.94 147.38) =  99.999%  kept
          HB3   PHE   97 - HD2   PRO   58  16.99 +/- 3.20   0.482% *  0.0722% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HD2   PRO   58  11.12 +/- 1.42   0.381% *  0.0563% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HD2   PRO   58  10.93 +/- 1.19   0.317% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HD2   PRO   58  27.31 +/- 2.49   0.001% *  0.4456% (0.42   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   58  28.95 +/- 1.77   0.001% *  0.0276% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.04 A, kept.
 
    Peak 585 (1.89, 3.81, 50.93 ppm):
    12 chemical-shift based assignments, quality = 0.79, support = 6.97, residual support = 146.1:
    * O T HB3   PRO   58 - HD2   PRO   58   3.59 +/- 0.18  81.936% * 92.2248% (0.79  10.0 10.00   7.02 147.38) =  99.125%  kept
          HB    ILE   56 - HD2   PRO   58   5.33 +/- 0.79  12.524% *  5.3159% (0.79   1.0  1.00   1.15   0.02) =   0.873%  kept
          HB3   ASP- 105 - HD2   PRO   58  16.10 +/- 3.13   3.131% *  0.0193% (0.17   1.0  1.00   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HD2   PRO   58   7.73 +/- 1.74   2.197% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   PRO   58  14.37 +/- 2.26   0.178% *  0.0454% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   PRO   58  13.95 +/- 1.12   0.026% *  0.1066% (0.91   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HD2   PRO   58  22.93 +/- 1.49   0.001% *  1.1041% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   PRO   58  27.90 +/- 2.14   0.000% *  1.0445% (0.89   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   PRO   58  20.37 +/- 2.32   0.003% *  0.0341% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   PRO   58  22.30 +/- 2.13   0.002% *  0.0414% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   PRO   58  24.05 +/- 1.75   0.001% *  0.0275% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HD2   PRO   58  31.74 +/- 2.33   0.000% *  0.0193% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.08 A, kept.
 
    Peak 586 (2.08, 3.81, 50.93 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.61, residual support = 147.4:
    * O T HG2   PRO   58 - HD2   PRO   58   2.88 +/- 0.13  99.827% * 98.7160% (0.95  10.0 10.00   6.61 147.38) = 100.000%  kept
        T HG3   PRO   52 - HD2   PRO   58  11.64 +/- 0.96   0.025% *  0.9872% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HD2   PRO   58   9.72 +/- 2.39   0.145% *  0.0305% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   58  22.39 +/- 2.25   0.001% *  0.0978% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   58  19.30 +/- 1.28   0.001% *  0.0370% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   58  31.65 +/- 2.10   0.000% *  0.0968% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   58  23.58 +/- 1.65   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD2   PRO   58  26.27 +/- 1.54   0.000% *  0.0195% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 587 (3.81, 3.81, 50.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   58 - HD2   PRO   58  (0.89)  kept
 
    Peak 588 (4.41, 4.41, 66.06 ppm):
    1 diagonal assignment:
    *     HA    PRO   58 - HA    PRO   58  (1.00)  kept
 
    Peak 589 (2.35, 4.41, 66.06 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 147.4:
    * O T HB2   PRO   58 - HA    PRO   58   2.69 +/- 0.13  99.940% * 99.2784% (1.00  10.0 10.00   6.28 147.38) = 100.000%  kept
        T HB2   GLN  116 - HA    PRO   58  11.34 +/- 1.54   0.028% *  0.5621% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    PRO   58  15.86 +/- 2.92   0.026% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    PRO   58  14.04 +/- 1.01   0.005% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    PRO   58  25.67 +/- 2.11   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   58  28.40 +/- 1.91   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 590 (1.89, 4.41, 66.06 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 6.2, residual support = 147.4:
    * O T HB3   PRO   58 - HA    PRO   58   2.35 +/- 0.13  99.811% * 98.4544% (0.84  10.0 10.00   6.20 147.38) =  99.999%  kept
        T HB    ILE   56 - HA    PRO   58   7.78 +/- 0.91   0.120% *  0.9845% (0.84   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    PRO   58  14.63 +/- 2.04   0.022% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   58  15.39 +/- 2.46   0.028% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    PRO   58  10.57 +/- 1.36   0.017% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    PRO   58  16.26 +/- 1.30   0.001% *  0.1138% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    PRO   58  21.41 +/- 1.65   0.000% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    PRO   58  25.69 +/- 1.75   0.000% *  0.1115% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   58  22.46 +/- 2.38   0.000% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    PRO   58  23.24 +/- 2.04   0.000% *  0.0442% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   58  22.21 +/- 1.78   0.000% *  0.0294% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    PRO   58  28.87 +/- 2.12   0.000% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 591 (2.08, 4.41, 66.06 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 147.4:
    * O T HG2   PRO   58 - HA    PRO   58   3.97 +/- 0.02  99.612% * 98.7160% (1.00  10.0 10.00   5.98 147.38) =  99.999%  kept
        T HG3   PRO   52 - HA    PRO   58  14.86 +/- 0.84   0.039% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    PRO   58  11.37 +/- 2.04   0.310% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   58  19.52 +/- 2.20   0.010% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   58  16.11 +/- 0.99   0.024% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   58  28.78 +/- 1.86   0.001% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   58  23.46 +/- 1.77   0.003% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   58  24.88 +/- 1.59   0.002% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.22 A, kept.
 
    Peak 592 (3.81, 4.41, 66.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.7, residual support = 147.4:
    * O T HD2   PRO   58 - HA    PRO   58   3.79 +/- 0.00  99.774% * 98.5403% (0.95  10.0 10.00   6.70 147.38) = 100.000%  kept
          HB2   CYS   53 - HA    PRO   58  10.99 +/- 1.27   0.221% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HA    PRO   58  25.19 +/- 2.31   0.002% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HA    PRO   58  25.32 +/- 1.77   0.001% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    PRO   58  23.11 +/- 1.84   0.002% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.04 A, kept.
 
    Peak 593 (4.41, 2.35, 31.07 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 147.4:
    * O T HA    PRO   58 - HB2   PRO   58   2.69 +/- 0.13  98.577% * 99.4356% (1.00  10.0 10.00   6.28 147.38) = 100.000%  kept
          HA    ILE   56 - HB2   PRO   58   5.71 +/- 0.74   1.396% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   PRO   58  13.43 +/- 1.82   0.009% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   PRO   58  14.10 +/- 1.89   0.007% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   PRO   58  13.56 +/- 1.65   0.008% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   PRO   58  18.35 +/- 1.03   0.001% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   PRO   58  20.41 +/- 1.86   0.001% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   PRO   58  24.47 +/- 1.14   0.000% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PRO   58  21.73 +/- 2.32   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   PRO   58  28.16 +/- 1.67   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PRO   58  27.42 +/- 1.80   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 594 (2.35, 2.35, 31.07 ppm):
    1 diagonal assignment:
    *     HB2   PRO   58 - HB2   PRO   58  (1.00)  kept
 
    Peak 595 (1.89, 2.35, 31.07 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 4.51, residual support = 147.4:
    * O T HB3   PRO   58 - HB2   PRO   58   1.75 +/- 0.00  99.962% * 98.9371% (0.84  10.0 10.00   4.51 147.38) = 100.000%  kept
          HB    ILE   56 - HB2   PRO   58   7.55 +/- 1.01   0.030% *  0.0989% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   PRO   58  14.36 +/- 2.33   0.003% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   58  14.86 +/- 2.67   0.002% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PRO   58  11.37 +/- 1.48   0.002% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   PRO   58  16.24 +/- 1.44   0.000% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   58  24.49 +/- 1.96   0.000% *  0.4446% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   PRO   58  23.02 +/- 1.50   0.000% *  0.1184% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PRO   58  26.39 +/- 1.81   0.000% *  0.1120% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   58  23.01 +/- 2.13   0.000% *  0.0366% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   58  23.58 +/- 1.63   0.000% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   58  30.80 +/- 2.01   0.000% *  0.0207% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (2.08, 2.35, 31.07 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.29, residual support = 147.4:
    * O T HG2   PRO   58 - HB2   PRO   58   2.34 +/- 0.14  99.988% * 98.7160% (1.00  10.0 10.00   4.29 147.38) = 100.000%  kept
        T HG3   PRO   52 - HB2   PRO   58  15.02 +/- 1.01   0.002% *  0.9872% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   PRO   58  11.93 +/- 2.05   0.009% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   58  16.93 +/- 1.34   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   58  21.55 +/- 2.10   0.000% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   58  30.67 +/- 1.80   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   58  24.99 +/- 1.74   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   58  26.17 +/- 1.46   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 597 (3.81, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.94, residual support = 147.4:
    * O T HD2   PRO   58 - HB2   PRO   58   4.06 +/- 0.18  99.761% * 98.5403% (0.95  10.0 10.00   6.94 147.38) = 100.000%  kept
          HB2   CYS   53 - HB2   PRO   58  11.87 +/- 1.40   0.233% *  0.0355% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB2   PRO   58  25.77 +/- 2.33   0.002% *  1.0325% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB2   PRO   58  26.16 +/- 1.80   0.002% *  0.2896% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   PRO   58  24.28 +/- 1.87   0.003% *  0.1021% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.15 A, kept.
 
    Peak 598 (4.41, 1.89, 31.07 ppm):
    11 chemical-shift based assignments, quality = 0.835, support = 6.2, residual support = 147.4:
    * O T HA    PRO   58 - HB3   PRO   58   2.35 +/- 0.13  99.570% * 99.1888% (0.84  10.0 10.00   6.20 147.38) =  99.999%  kept
        T HA    ILE   56 - HB3   PRO   58   6.03 +/- 0.66   0.419% *  0.2758% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HA    THR   46 - HB3   PRO   58  14.27 +/- 1.77   0.004% *  0.0602% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   PRO   58  13.37 +/- 1.93   0.004% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   PRO   58  14.68 +/- 1.31   0.002% *  0.0372% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   PRO   58  18.49 +/- 1.13   0.000% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   PRO   58  21.46 +/- 1.68   0.000% *  0.0957% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   58  24.47 +/- 1.25   0.000% *  0.0990% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PRO   58  22.87 +/- 2.16   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   58  28.98 +/- 1.59   0.000% *  0.0522% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PRO   58  28.37 +/- 1.62   0.000% *  0.0247% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 599 (2.35, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.51, residual support = 147.4:
    * O T HB2   PRO   58 - HB3   PRO   58   1.75 +/- 0.00  99.993% * 99.1367% (0.84  10.0 10.00   4.51 147.38) = 100.000%  kept
        T HB3   PHE   97 - HB3   PRO   58  17.23 +/- 2.83   0.001% *  0.7199% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   PRO   58  10.36 +/- 2.02   0.006% *  0.0561% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   PRO   58  14.31 +/- 1.07   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   PRO   58  27.23 +/- 2.00   0.000% *  0.0444% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   58  30.47 +/- 1.80   0.000% *  0.0276% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 600 (1.89, 1.89, 31.07 ppm):
    1 diagonal assignment:
    *     HB3   PRO   58 - HB3   PRO   58  (0.70)  kept
 
    Peak 601 (2.08, 1.89, 31.07 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.22, residual support = 147.4:
    * O T HG2   PRO   58 - HB3   PRO   58   2.92 +/- 0.14  99.964% * 97.0168% (0.84  10.0 10.00   4.22 147.38) = 100.000%  kept
        T HG3   PRO   52 - HB3   PRO   58  14.99 +/- 0.83   0.006% *  0.9702% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HB3   PRO   58  21.54 +/- 2.21   0.001% *  0.9616% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   PRO   58  12.29 +/- 2.10   0.027% *  0.0299% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   58  17.56 +/- 1.09   0.002% *  0.0364% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HB3   PRO   58  30.67 +/- 1.87   0.000% *  0.9510% (0.82   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   58  25.38 +/- 1.69   0.000% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   58  26.77 +/- 1.44   0.000% *  0.0192% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.51 A, kept.
 
    Peak 602 (3.81, 1.89, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.79, support = 7.02, residual support = 147.4:
    * O T HD2   PRO   58 - HB3   PRO   58   3.59 +/- 0.18  99.827% * 98.5403% (0.79  10.0 10.00   7.02 147.38) = 100.000%  kept
          HB2   CYS   53 - HB3   PRO   58  11.67 +/- 1.40   0.170% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB3   PRO   58  26.89 +/- 2.20   0.001% *  1.0325% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB3   PRO   58  27.15 +/- 1.62   0.001% *  0.2896% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   PRO   58  24.73 +/- 1.84   0.001% *  0.1021% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.03 A, kept.
 
    Peak 603 (4.41, 2.08, 28.60 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 147.3:
    * O T HA    PRO   58 - HG2   PRO   58   3.97 +/- 0.02  39.171% * 98.1964% (1.00  10.0 10.00   5.98 147.38) =  99.956%  kept
          HA    ILE   56 - HG2   PRO   58   3.79 +/- 0.79  59.543% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.042%
          HA    THR   46 - HG3   PRO   52   9.37 +/- 1.98   1.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.001%
        T HA    PRO   58 - HG3   PRO   52  14.86 +/- 0.84   0.017% *  0.7950% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - HG2   PRO   58  13.03 +/- 1.70   0.063% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG3   PRO   52  10.18 +/- 0.66   0.151% *  0.0221% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG2   PRO   58  14.83 +/- 1.58   0.016% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   PRO   58  14.66 +/- 1.19   0.018% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   PRO   58  19.82 +/- 0.91   0.003% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   PRO   58  21.03 +/- 1.83   0.002% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   52  21.94 +/- 2.67   0.005% *  0.0418% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   52  25.76 +/- 2.99   0.002% *  0.0767% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   52  26.77 +/- 2.46   0.001% *  0.0793% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   PRO   58  26.00 +/- 1.13   0.001% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG3   PRO   52  26.38 +/- 3.43   0.003% *  0.0123% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG2   PRO   58  22.19 +/- 2.29   0.002% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   52  32.39 +/- 3.83   0.000% *  0.0793% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   PRO   52  24.85 +/- 1.68   0.001% *  0.0298% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG2   PRO   58  29.17 +/- 1.64   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   PRO   58  28.00 +/- 1.75   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   52  34.10 +/- 2.93   0.000% *  0.0418% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   PRO   52  31.23 +/- 2.94   0.000% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.30 A, kept.
 
    Peak 604 (2.35, 2.08, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 4.98, residual support = 178.2:
    * O T HB2   PRO   58 - HG2   PRO   58   2.34 +/- 0.14  15.571% * 87.8577% (1.00  10.0 10.00   4.29 147.38) =  59.623%  kept
      O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  84.413% * 10.9746% (0.12  10.0 10.00   5.99 223.61) =  40.376%  kept
          HB2   GLN  116 - HG2   PRO   58   8.64 +/- 1.60   0.014% *  0.0497% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  15.02 +/- 1.01   0.000% *  0.7113% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   PRO   58  12.36 +/- 1.32   0.001% *  0.1356% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   PRO   58  16.09 +/- 2.85   0.001% *  0.0638% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   PRO   52  20.58 +/- 3.02   0.000% *  0.0516% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG3   PRO   52  16.92 +/- 2.29   0.000% *  0.0403% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   PRO   58  26.46 +/- 2.12   0.000% *  0.0394% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   PRO   52  30.26 +/- 3.59   0.000% *  0.0319% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  28.10 +/- 2.38   0.000% *  0.0198% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  30.22 +/- 1.50   0.000% *  0.0244% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 605 (1.89, 2.08, 28.60 ppm):
    24 chemical-shift based assignments, quality = 0.835, support = 4.22, residual support = 147.4:
    * O T HB3   PRO   58 - HG2   PRO   58   2.92 +/- 0.14  93.133% * 96.9979% (0.84  10.0 10.00   4.22 147.38) =  99.993%  kept
          HB    ILE   56 - HG2   PRO   58   5.68 +/- 0.94   4.864% *  0.0970% (0.84   1.0  1.00   0.02   0.02) =   0.005%
          HB2   MET   92 - HG3   PRO   52   8.09 +/- 3.75   1.270% *  0.0907% (0.78   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   56 - HG3   PRO   52   9.00 +/- 1.72   0.238% *  0.0785% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG3   PRO   52  14.99 +/- 0.83   0.005% *  0.7853% (0.68   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   PRO   58  13.67 +/- 2.24   0.062% *  0.0477% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   PRO   52   8.78 +/- 0.74   0.149% *  0.0145% (0.12   1.0  1.00   0.02   1.74) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  14.72 +/- 2.66   0.084% *  0.0203% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58   9.97 +/- 1.54   0.086% *  0.0179% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  18.10 +/- 3.08   0.004% *  0.3528% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   PRO   52  14.57 +/- 2.79   0.024% *  0.0387% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  13.00 +/- 3.81   0.031% *  0.0290% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   PRO   58  14.53 +/- 1.15   0.007% *  0.1121% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  19.73 +/- 3.51   0.041% *  0.0165% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  23.75 +/- 1.94   0.000% *  0.4358% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   PRO   58  23.48 +/- 1.29   0.000% *  0.1161% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  21.54 +/- 1.91   0.001% *  0.0358% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   PRO   52  25.36 +/- 1.99   0.000% *  0.0940% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   PRO   58  27.22 +/- 1.81   0.000% *  0.1099% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG2   PRO   58  32.32 +/- 2.11   0.000% *  0.2034% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   PRO   52  38.09 +/- 5.41   0.000% *  0.1646% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  24.29 +/- 1.52   0.000% *  0.0290% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   PRO   52  32.29 +/- 3.30   0.000% *  0.0889% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  27.23 +/- 2.17   0.000% *  0.0234% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.47 A, kept.
 
    Peak 606 (2.08, 2.08, 28.60 ppm):
    2 diagonal assignments:
    *     HG2   PRO   58 - HG2   PRO   58  (1.00)  kept
          HG3   PRO   52 - HG3   PRO   52  (0.81)  kept
 
    Peak 607 (3.81, 2.08, 28.60 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 6.61, residual support = 147.4:
    * O T HD2   PRO   58 - HG2   PRO   58   2.88 +/- 0.13  98.602% * 98.7117% (0.95  10.0 10.00   6.61 147.38) =  99.999%  kept
          HB2   CYS   53 - HG3   PRO   52   6.36 +/- 0.63   1.296% *  0.0288% (0.28   1.0  1.00   0.02  53.89) =   0.000%
        T HD2   PRO   58 - HG3   PRO   52  11.64 +/- 0.96   0.025% *  0.7991% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   PRO   58  10.37 +/- 1.40   0.075% *  0.0356% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   52  19.31 +/- 2.51   0.002% *  0.0828% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   PRO   58  23.59 +/- 1.84   0.000% *  0.1023% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG2   PRO   58  26.25 +/- 2.30   0.000% *  0.1034% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   52  29.87 +/- 3.57   0.000% *  0.0837% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   58  26.89 +/- 1.78   0.000% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   52  31.17 +/- 3.11   0.000% *  0.0235% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 608 (4.35, 4.35, 60.90 ppm):
    1 diagonal assignment:
    *     HA    PHE   59 - HA    PHE   59  (1.00)  kept
 
    Peak 609 (3.32, 4.35, 60.90 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 58.8:
    * O T HB2   PHE   59 - HA    PHE   59   2.99 +/- 0.20  99.729% * 99.6348% (1.00  10.0 10.00   3.31  58.77) = 100.000%  kept
          QB    PHE   55 - HA    PHE   59   9.06 +/- 0.61   0.146% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   59  11.56 +/- 1.39   0.049% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    PHE   59  13.26 +/- 1.76   0.029% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    PHE   59  11.92 +/- 1.00   0.032% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    PHE   59  13.43 +/- 1.23   0.015% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 610 (3.16, 4.35, 60.90 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 58.8:
    * O T HB3   PHE   59 - HA    PHE   59   2.64 +/- 0.17  99.999% * 99.9552% (1.00  10.0 10.00   3.99  58.77) = 100.000%  kept
          HB3   TRP   49 - HA    PHE   59  20.14 +/- 0.98   0.001% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 611 (4.35, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 58.8:
    * O T HA    PHE   59 - HB2   PHE   59   2.99 +/- 0.20  99.940% * 99.8386% (1.00  10.0 10.00   3.31  58.77) = 100.000%  kept
          HA    ASP- 113 - HB2   PHE   59  10.60 +/- 1.03   0.056% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   PHE   59  19.93 +/- 1.43   0.001% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PHE   59  18.08 +/- 1.75   0.003% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PHE   59  23.85 +/- 1.55   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 612 (3.32, 3.32, 39.73 ppm):
    1 diagonal assignment:
    *     HB2   PHE   59 - HB2   PHE   59  (1.00)  kept
 
    Peak 613 (3.16, 3.32, 39.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 58.8:
    * O T HB3   PHE   59 - HB2   PHE   59   1.75 +/- 0.00 100.000% * 99.9552% (1.00  10.0 10.00   3.44  58.77) = 100.000%  kept
          HB3   TRP   49 - HB2   PHE   59  17.78 +/- 1.20   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 614 (4.35, 3.16, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.99, residual support = 58.8:
    * O T HA    PHE   59 - HB3   PHE   59   2.64 +/- 0.17  99.942% * 99.8386% (1.00  10.0 10.00   3.99  58.77) = 100.000%  kept
          HA    ASP- 113 - HB3   PHE   59   9.49 +/- 0.81   0.057% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - HB3   PHE   59  20.70 +/- 1.52   0.001% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PHE   59  18.71 +/- 1.61   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PHE   59  24.68 +/- 1.31   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (3.32, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 58.8:
    * O T HB2   PHE   59 - HB3   PHE   59   1.75 +/- 0.00  99.966% * 99.6348% (1.00  10.0 10.00   3.44  58.77) = 100.000%  kept
          QB    PHE   55 - HB3   PHE   59   7.26 +/- 0.91   0.025% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HB3   PHE   59  11.22 +/- 2.37   0.004% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB3   PHE   59  10.14 +/- 0.72   0.003% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB3   PHE   59  12.14 +/- 1.29   0.001% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB3   PHE   59  13.67 +/- 1.42   0.001% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 616 (3.16, 3.16, 39.73 ppm):
    1 diagonal assignment:
    *     HB3   PHE   59 - HB3   PHE   59  (1.00)  kept
 
    Peak 617 (3.92, 3.92, 62.21 ppm):
    1 diagonal assignment:
    *     HA    PHE   60 - HA    PHE   60  (1.00)  kept
 
    Peak 618 (3.40, 3.92, 62.21 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.0:
    * O T HB2   PHE   60 - HA    PHE   60   2.98 +/- 0.12  99.997% * 99.9010% (1.00  10.0 10.00   4.00  72.03) = 100.000%  kept
          HB2   TRP   87 - HA    PHE   60  17.64 +/- 1.45   0.003% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 619 (2.97, 3.92, 62.21 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.0:
    * O T HB3   PHE   60 - HA    PHE   60   2.59 +/- 0.25  99.965% * 99.7797% (1.00  10.0 10.00   4.00  72.03) = 100.000%  kept
          HB2   PHE   97 - HA    PHE   60  10.81 +/- 1.04   0.024% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    PHE   60  13.03 +/- 0.99   0.007% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   60  15.24 +/- 1.56   0.003% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    PHE   60  21.65 +/- 1.51   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 620 (3.92, 3.40, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.0:
    * O T HA    PHE   60 - HB2   PHE   60   2.98 +/- 0.12  99.887% * 99.8400% (1.00  10.0 10.00   4.00  72.03) = 100.000%  kept
          HB    THR   94 - HB2   PHE   60  11.28 +/- 1.62   0.051% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   60  12.92 +/- 1.48   0.029% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   60  13.35 +/- 0.76   0.013% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   PHE   60  13.94 +/- 1.80   0.014% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   60  16.02 +/- 0.64   0.004% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 621 (3.40, 3.40, 40.02 ppm):
    1 diagonal assignment:
    *     HB2   PHE   60 - HB2   PHE   60  (1.00)  kept
 
    Peak 622 (2.97, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.0:
    * O T HB3   PHE   60 - HB2   PHE   60   1.75 +/- 0.00  99.997% * 99.7797% (1.00  10.0 10.00   4.00  72.03) = 100.000%  kept
          HB2   PHE   97 - HB2   PHE   60  12.96 +/- 1.81   0.003% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   PHE   60  14.32 +/- 1.26   0.000% *  0.0944% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   PHE   60  15.68 +/- 1.77   0.000% *  0.0486% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB2   PHE   60  23.34 +/- 2.03   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 623 (3.92, 2.97, 40.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.0:
    * O T HA    PHE   60 - HB3   PHE   60   2.59 +/- 0.25  99.935% * 99.8400% (1.00  10.0 10.00   4.00  72.03) = 100.000%  kept
          HB    THR   94 - HB3   PHE   60  10.71 +/- 1.66   0.035% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   PHE   60  13.34 +/- 1.69   0.014% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB3   PHE   60  13.24 +/- 1.00   0.007% *  0.0606% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   PHE   60  13.94 +/- 1.82   0.007% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB3   PHE   60  15.67 +/- 0.88   0.002% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 624 (3.40, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 72.0:
    * O T HB2   PHE   60 - HB3   PHE   60   1.75 +/- 0.00 100.000% * 99.9010% (1.00  10.0 10.00   4.00  72.03) = 100.000%  kept
          HB2   TRP   87 - HB3   PHE   60  17.01 +/- 1.58   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 625 (2.97, 2.97, 40.02 ppm):
    1 diagonal assignment:
    *     HB3   PHE   60 - HB3   PHE   60  (1.00)  kept
 
    Peak 626 (3.74, 3.74, 54.57 ppm):
    1 diagonal assignment:
    *     HA    ALA   61 - HA    ALA   61  (1.00)  kept
 
    Peak 627 (1.43, 3.74, 54.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 18.0:
    * O T QB    ALA   61 - HA    ALA   61   2.13 +/- 0.02  99.900% * 98.4786% (1.00  10.0 10.00   2.21  17.99) = 100.000%  kept
          QG    LYS+  66 - HA    ALA   61   7.71 +/- 0.89   0.058% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  110 - HA    ALA   61  13.81 +/- 2.36   0.002% *  0.9091% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA   61   9.56 +/- 0.56   0.013% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA   61  11.74 +/- 1.79   0.005% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   61  10.49 +/- 1.77   0.011% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA   61  12.64 +/- 1.16   0.003% *  0.0637% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA   61  11.53 +/- 1.23   0.005% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA   61  14.17 +/- 1.37   0.002% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   61  19.11 +/- 2.00   0.000% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   61  16.85 +/- 1.80   0.001% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   61  18.89 +/- 1.68   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   61  23.77 +/- 1.82   0.000% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 628 (3.74, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 18.0:
    * O T HA    ALA   61 - QB    ALA   61   2.13 +/- 0.02  99.564% * 98.9510% (1.00  10.0 10.00   2.21  17.99) = 100.000%  kept
          HD3   PRO   58 - QB    ALA   61   5.67 +/- 0.49   0.328% *  0.0444% (0.45   1.0  1.00   0.02   1.04) =   0.000%
          HD3   PRO   58 - QB    ALA  110   8.42 +/- 2.86   0.092% *  0.0328% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   61 - QB    ALA  110  13.81 +/- 2.36   0.002% *  0.7322% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA   61  10.57 +/- 0.92   0.008% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   61  12.82 +/- 1.54   0.003% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA  110  15.09 +/- 2.75   0.002% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA  110  19.37 +/- 1.98   0.000% *  0.0693% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   61  16.92 +/- 1.71   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA  110  19.02 +/- 2.06   0.000% *  0.0163% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 629 (1.43, 1.43, 17.92 ppm):
    2 diagonal assignments:
    *     QB    ALA   61 - QB    ALA   61  (1.00)  kept
          QB    ALA  110 - QB    ALA  110  (0.68)  kept
 
    Peak 630 (4.22, 4.22, 57.45 ppm):
    1 diagonal assignment:
    *     HA    ASP-  62 - HA    ASP-  62  (1.00)  kept
 
    Peak 631 (2.65, 4.22, 57.45 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 41.0:
    * O T HB2   ASP-  62 - HA    ASP-  62   2.76 +/- 0.21  99.998% * 99.9434% (1.00  10.0 10.00   3.00  41.03) = 100.000%  kept
          HB2   PRO   52 - HA    ASP-  62  17.97 +/- 1.11   0.002% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 632 (2.45, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB3   ASP-  62 - HA    ASP-  62   2.90 +/- 0.18  99.997% * 99.7306% (0.98  10.0 10.00   3.00  41.03) = 100.000%  kept
          HG3   MET   96 - HA    ASP-  62  18.01 +/- 0.70   0.002% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  62  26.29 +/- 2.46   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    ASP-  62  25.77 +/- 0.92   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  62  26.59 +/- 1.57   0.000% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.02 A, kept.
 
    Peak 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   2.76 +/- 0.21  99.965% * 99.8236% (1.00  10.0 10.00   3.00  41.03) = 100.000%  kept
          HA    SER  117 - HB2   ASP-  62  11.25 +/- 1.26   0.034% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - HB2   ASP-  62  22.78 +/- 1.39   0.000% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB2   ASP-  62  28.14 +/- 1.53   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 634 (2.65, 2.65, 41.28 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  62 - HB2   ASP-  62  (1.00)  kept
 
    Peak 635 (2.45, 2.65, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB3   ASP-  62 - HB2   ASP-  62   1.75 +/- 0.00 100.000% * 99.7306% (0.98  10.0 10.00   3.00  41.03) = 100.000%  kept
          HG3   MET   96 - HB2   ASP-  62  16.86 +/- 1.12   0.000% *  0.0883% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   ASP-  62  25.21 +/- 1.30   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  62  27.01 +/- 2.43   0.000% *  0.0658% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  62  27.25 +/- 1.65   0.000% *  0.0495% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 636 (4.22, 2.45, 41.28 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HA    ASP-  62 - HB3   ASP-  62   2.90 +/- 0.18  99.961% * 99.8236% (0.98  10.0 10.00   3.00  41.03) = 100.000%  kept
          HA    SER  117 - HB3   ASP-  62  11.36 +/- 1.30   0.039% *  0.0565% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - HB3   ASP-  62  22.49 +/- 1.27   0.001% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   ASP-  62  27.68 +/- 1.36   0.000% *  0.0278% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 637 (2.65, 2.45, 41.28 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB2   ASP-  62 - HB3   ASP-  62   1.75 +/- 0.00 100.000% * 99.4370% (0.98  10.0 10.00   3.00  41.03) = 100.000%  kept
        T HB2   PRO   52 - HB3   ASP-  62  16.01 +/- 1.02   0.000% *  0.5630% (0.55   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 638 (2.45, 2.45, 41.28 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  62 - HB3   ASP-  62  (0.96)  kept
 
    Peak 639 (3.50, 3.50, 57.67 ppm):
    1 diagonal assignment:
    *     HA    LEU   63 - HA    LEU   63  (1.00)  kept
 
    Peak 640 (1.34, 3.50, 57.67 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 242.6:
    * O T HB2   LEU   63 - HA    LEU   63   2.92 +/- 0.10  99.812% * 99.1997% (1.00  10.0 10.00   6.28 242.62) = 100.000%  kept
          QB    ALA  124 - HA    LEU   63  10.25 +/- 2.09   0.092% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LEU   63  11.12 +/- 1.84   0.049% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   63  13.38 +/- 1.67   0.016% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   63  14.71 +/- 1.13   0.007% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   63  15.02 +/- 1.24   0.007% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   63  17.59 +/- 1.59   0.002% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   63  14.08 +/- 1.14   0.009% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LEU   63  20.09 +/- 0.78   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   63  20.02 +/- 1.35   0.001% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   63  22.03 +/- 1.99   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   63  20.11 +/- 1.60   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   63  21.46 +/- 1.47   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 641 (0.88, 3.50, 57.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 242.6:
    * O T HB3   LEU   63 - HA    LEU   63   2.54 +/- 0.20  95.017% * 99.7424% (1.00  10.0 10.00   5.98 242.62) =  99.998%  kept
          QD1   LEU   71 - HA    LEU   63  11.00 +/- 2.24   2.390% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - HA    LEU   63   6.19 +/- 1.11   1.231% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HA    LEU   63   6.63 +/- 2.01   1.302% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU   63   9.32 +/- 0.96   0.057% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    LEU   63  14.88 +/- 1.02   0.003% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 642 (1.06, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 242.6:
    * O T HG    LEU   63 - HA    LEU   63   2.85 +/- 0.49  99.667% * 99.8120% (1.00  10.0 10.00   5.98 242.62) = 100.000%  kept
          QG1   VAL  107 - HA    LEU   63   8.20 +/- 1.16   0.320% *  0.0154% (0.15   1.0  1.00   0.02   0.43) =   0.000%
          HG3   LYS+ 112 - HA    LEU   63  14.42 +/- 1.70   0.012% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LEU   63  19.28 +/- 1.24   0.002% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.05 A, kept.
 
    Peak 643 (0.58, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.621, support = 5.71, residual support = 242.6:
        T QD2   LEU   63 - HA    LEU   63   2.48 +/- 0.39  92.130% * 35.7505% (0.57 10.00   5.72 242.62) =  87.252%  kept
    *   T QD1   LEU   63 - HA    LEU   63   3.87 +/- 0.16   7.620% * 63.1462% (1.00 10.00   5.62 242.62) =  12.747%  kept
          QD2   LEU  115 - HA    LEU   63   7.42 +/- 0.97   0.216% *  0.0527% (0.84  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HA    LEU   63  10.66 +/- 1.66   0.025% *  0.3575% (0.57 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU   63  12.58 +/- 0.91   0.006% *  0.6315% (1.00 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  17.24 +/- 1.73   0.001% *  0.0506% (0.80  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   63  17.37 +/- 1.46   0.001% *  0.0111% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.05 A, kept.
 
    Peak 644 (0.57, 3.50, 57.67 ppm):
    8 chemical-shift based assignments, quality = 0.981, support = 5.72, residual support = 242.6:
    *   T QD2   LEU   63 - HA    LEU   63   2.48 +/- 0.39  92.141% * 63.5438% (1.00 10.00   5.72 242.62) =  95.526%  kept
        T QD1   LEU   63 - HA    LEU   63   3.87 +/- 0.16   7.622% * 35.9756% (0.57 10.00   5.62 242.62) =   4.474%  kept
          QD2   LEU  115 - HA    LEU   63   7.42 +/- 0.97   0.216% *  0.0158% (0.25  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU   63  12.58 +/- 0.91   0.006% *  0.3598% (0.57 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   63  12.23 +/- 0.91   0.008% *  0.0385% (0.61  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HA    LEU   63  12.95 +/- 1.32   0.006% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    LEU   63  18.23 +/- 1.87   0.001% *  0.0261% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  17.24 +/- 1.73   0.001% *  0.0141% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.05 A, kept.
 
    Peak 645 (3.50, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 242.6:
    * O T HA    LEU   63 - HB2   LEU   63   2.92 +/- 0.10  99.998% * 99.2046% (1.00  10.0 10.00   6.28 242.62) = 100.000%  kept
        T HB2   HIS   22 - HB2   LEU   63  20.88 +/- 1.57   0.001% *  0.7581% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB2   LEU   63  19.65 +/- 0.99   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 646 (1.34, 1.34, 41.55 ppm):
    1 diagonal assignment:
    *     HB2   LEU   63 - HB2   LEU   63  (1.00)  kept
 
    Peak 647 (0.88, 1.34, 41.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 242.6:
    * O T HB3   LEU   63 - HB2   LEU   63   1.75 +/- 0.00  99.896% * 99.7424% (1.00  10.0 10.00   6.31 242.62) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU   63   7.02 +/- 1.25   0.047% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU   63   7.82 +/- 1.17   0.021% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   63   8.27 +/- 1.67   0.022% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU   63  10.77 +/- 1.90   0.014% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   63  13.33 +/- 1.15   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 648 (1.06, 1.34, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 242.6:
    * O T HG    LEU   63 - HB2   LEU   63   2.65 +/- 0.17  99.627% * 99.8120% (1.00  10.0 10.00   6.31 242.62) = 100.000%  kept
          QG1   VAL  107 - HB2   LEU   63   7.29 +/- 1.17   0.361% *  0.0154% (0.15   1.0  1.00   0.02   0.43) =   0.000%
          HG3   LYS+ 112 - HB2   LEU   63  13.34 +/- 1.76   0.011% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LEU   63  17.68 +/- 1.55   0.001% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 649 (0.58, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.96, support = 6.17, residual support = 242.6:
    * O T QD1   LEU   63 - HB2   LEU   63   2.22 +/- 0.17  84.814% * 63.1462% (1.00  10.0 10.00   6.16 242.62) =  90.887%  kept
      O T QD2   LEU   63 - HB2   LEU   63   3.08 +/- 0.26  15.020% * 35.7505% (0.57  10.0 10.00   6.22 242.62) =   9.113%  kept
          QD2   LEU  115 - HB2   LEU   63   6.88 +/- 0.99   0.151% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU   63  11.39 +/- 1.23   0.006% *  0.6315% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB2   LEU   63  10.96 +/- 1.23   0.008% *  0.3575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  15.40 +/- 2.11   0.001% *  0.0506% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   63  15.55 +/- 1.78   0.001% *  0.0111% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 650 (0.57, 1.34, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.67, support = 6.18, residual support = 242.6:
      O T QD1   LEU   63 - HB2   LEU   63   2.22 +/- 0.17  84.812% * 35.9756% (0.57  10.0 10.00   6.16 242.62) =  76.173%  kept
    * O T QD2   LEU   63 - HB2   LEU   63   3.08 +/- 0.26  15.020% * 63.5438% (1.00  10.0 10.00   6.22 242.62) =  23.827%  kept
          QD2   LEU  115 - HB2   LEU   63   6.88 +/- 0.99   0.151% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU   63  11.39 +/- 1.23   0.006% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   LEU   63  11.38 +/- 0.84   0.005% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   LEU   63  12.09 +/- 1.28   0.004% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   LEU   63  16.34 +/- 2.21   0.001% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  15.40 +/- 2.11   0.001% *  0.0141% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 651 (3.50, 0.88, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 242.6:
    * O T HA    LEU   63 - HB3   LEU   63   2.54 +/- 0.20  99.999% * 99.8862% (1.00  10.0 10.00   5.98 242.62) = 100.000%  kept
          HB2   HIS   22 - HB3   LEU   63  20.94 +/- 1.83   0.000% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   LEU   63  18.46 +/- 1.17   0.001% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 652 (1.34, 0.88, 41.55 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 242.6:
    * O T HB2   LEU   63 - HB3   LEU   63   1.75 +/- 0.00  99.984% * 99.1997% (1.00  10.0 10.00   6.31 242.62) = 100.000%  kept
          HB3   ASP-  44 - HB3   LEU   63   9.25 +/- 2.47   0.009% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   63  11.42 +/- 2.03   0.002% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   63  12.11 +/- 2.00   0.002% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LEU   63  12.92 +/- 1.36   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   63  14.13 +/- 1.19   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   63  17.17 +/- 1.96   0.000% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LEU   63  12.68 +/- 1.31   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LEU   63  18.22 +/- 1.30   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   63  20.07 +/- 2.77   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   63  18.43 +/- 1.74   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   63  19.12 +/- 1.55   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   63  19.88 +/- 1.79   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 653 (0.88, 0.88, 41.55 ppm):
    1 diagonal assignment:
    *     HB3   LEU   63 - HB3   LEU   63  (1.00)  kept
 
    Peak 654 (1.06, 0.88, 41.55 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 242.6:
    * O T HG    LEU   63 - HB3   LEU   63   2.93 +/- 0.21  99.339% * 99.8120% (1.00  10.0 10.00   6.00 242.62) = 100.000%  kept
          QG1   VAL  107 - HB3   LEU   63   7.59 +/- 1.47   0.650% *  0.0154% (0.15   1.0  1.00   0.02   0.43) =   0.000%
          HG3   LYS+ 112 - HB3   LEU   63  14.57 +/- 1.73   0.009% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   LEU   63  17.55 +/- 1.72   0.003% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.05 A, kept.
 
    Peak 655 (0.58, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.806, support = 5.89, residual support = 242.6:
    * O T QD1   LEU   63 - HB3   LEU   63   2.52 +/- 0.17  41.224% * 63.1462% (1.00  10.0 10.00   5.86 242.62) =  55.376%  kept
      O T QD2   LEU   63 - HB3   LEU   63   2.39 +/- 0.35  58.676% * 35.7505% (0.57  10.0 10.00   5.92 242.62) =  44.624%  kept
        T QD1   LEU  104 - HB3   LEU   63   9.92 +/- 1.43   0.015% *  0.3575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU   63  10.99 +/- 1.48   0.007% *  0.6315% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   63   7.73 +/- 1.07   0.075% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  15.64 +/- 2.44   0.001% *  0.0506% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   63  15.65 +/- 1.99   0.001% *  0.0111% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 656 (0.57, 0.88, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.877, support = 5.9, residual support = 242.6:
    * O T QD2   LEU   63 - HB3   LEU   63   2.39 +/- 0.35  58.678% * 63.5438% (1.00  10.0 10.00   5.92 242.62) =  71.544%  kept
      O T QD1   LEU   63 - HB3   LEU   63   2.52 +/- 0.17  41.224% * 35.9756% (0.57  10.0 10.00   5.86 242.62) =  28.456%  kept
        T QD1   LEU   73 - HB3   LEU   63  10.99 +/- 1.48   0.007% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   63   7.73 +/- 1.07   0.075% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   63  10.64 +/- 1.16   0.008% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   63  11.37 +/- 1.45   0.006% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   63  16.65 +/- 2.46   0.001% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  15.64 +/- 2.44   0.001% *  0.0141% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 657 (3.50, 1.06, 26.21 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 242.6:
    * O T HA    LEU   63 - HG    LEU   63   2.85 +/- 0.49  99.997% * 99.8862% (1.00  10.0 10.00   5.98 242.62) = 100.000%  kept
          HB2   HIS   22 - HG    LEU   63  21.97 +/- 1.52   0.001% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HG    LEU   63  19.03 +/- 1.05   0.002% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 658 (1.34, 1.06, 26.21 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 242.6:
    * O T HB2   LEU   63 - HG    LEU   63   2.65 +/- 0.17  99.829% * 99.1997% (1.00  10.0 10.00   6.31 242.62) = 100.000%  kept
          HB3   ASP-  44 - HG    LEU   63   9.49 +/- 1.62   0.071% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   63  11.45 +/- 2.05   0.035% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   63  11.41 +/- 1.89   0.033% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG    LEU   63  13.47 +/- 1.09   0.007% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   63  14.80 +/- 1.46   0.005% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   63  15.78 +/- 2.17   0.003% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG    LEU   63  12.26 +/- 0.94   0.013% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG    LEU   63  19.23 +/- 1.35   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   63  18.46 +/- 1.38   0.001% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   63  20.49 +/- 1.74   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   63  20.16 +/- 1.72   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   63  19.64 +/- 1.37   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 659 (0.88, 1.06, 26.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 242.6:
    * O T HB3   LEU   63 - HG    LEU   63   2.93 +/- 0.21  94.621% * 99.7424% (1.00  10.0 10.00   6.00 242.62) =  99.997%  kept
          QG1   VAL   70 - HG    LEU   63   6.75 +/- 1.53   1.974% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   71 - HG    LEU   63  10.99 +/- 2.42   1.807% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU  123 - HG    LEU   63   7.30 +/- 1.98   1.283% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU   63   8.96 +/- 1.54   0.300% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HG    LEU   63  13.03 +/- 1.15   0.015% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.844, support = 5.64, residual support = 242.6:
    * O T QD1   LEU   63 - HG    LEU   63   2.11 +/- 0.01  50.130% * 63.0834% (1.00  10.0 10.00   5.60 242.62) =  64.034%  kept
      O T QD2   LEU   63 - HG    LEU   63   2.11 +/- 0.02  49.733% * 35.7149% (0.57  10.0 10.00   5.70 242.62) =  35.966%  kept
          QD2   LEU  115 - HG    LEU   63   6.34 +/- 1.20   0.128% *  0.0527% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HG    LEU   63  10.14 +/- 1.34   0.006% *  0.3571% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU   63  11.85 +/- 1.14   0.002% *  0.6308% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   83 - HG    LEU   63  16.03 +/- 1.40   0.000% *  0.1105% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  16.13 +/- 1.48   0.000% *  0.0505% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 662 (0.57, 1.06, 26.21 ppm):
    8 chemical-shift based assignments, quality = 0.842, support = 5.66, residual support = 242.6:
    * O T QD2   LEU   63 - HG    LEU   63   2.11 +/- 0.02  49.734% * 63.5438% (1.00  10.0 10.00   5.70 242.62) =  63.667%  kept
      O T QD1   LEU   63 - HG    LEU   63   2.11 +/- 0.01  50.131% * 35.9756% (0.57  10.0 10.00   5.60 242.62) =  36.333%  kept
          QD2   LEU  115 - HG    LEU   63   6.34 +/- 1.20   0.128% *  0.0158% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU   63  11.85 +/- 1.14   0.002% *  0.3598% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HG    LEU   63  11.49 +/- 1.04   0.002% *  0.0385% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HG    LEU   63  11.92 +/- 1.18   0.002% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HG    LEU   63  17.10 +/- 1.57   0.000% *  0.0261% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  16.13 +/- 1.48   0.000% *  0.0141% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 663 (3.50, 0.58, 26.34 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 242.6:
    *   T HA    LEU   63 - QD1   LEU   63   3.87 +/- 0.16  92.383% * 98.5216% (1.00 10.00   5.62 242.62) =  99.997%  kept
        T HA    LEU   63 - QD1   LEU   73  12.58 +/- 0.91   0.085% *  0.9852% (1.00 10.00   0.02   0.02) =   0.001%
        T HA    LEU   63 - QD1   LEU  104  10.66 +/- 1.66   0.327% *  0.2412% (0.24 10.00   0.02   0.02) =   0.001%
          HB2   HIS   22 - QD1   LEU   73   8.64 +/- 1.05   0.993% *  0.0753% (0.76  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - QD1   LEU  104   7.65 +/- 1.57   5.982% *  0.0091% (0.09  1.00   0.02   0.02) =   0.001%
          HA2   GLY  101 - QD1   LEU   73  11.64 +/- 1.36   0.182% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU   63  15.02 +/- 0.71   0.029% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU   63  17.52 +/- 1.38   0.013% *  0.0753% (0.76  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU  104  20.51 +/- 1.89   0.005% *  0.0184% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.08 A, kept.
 
    Peak 664 (1.34, 0.58, 26.34 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.16, residual support = 242.6:
    * O T HB2   LEU   63 - QD1   LEU   63   2.22 +/- 0.17  95.240% * 95.2053% (1.00  10.0 10.00   6.16 242.62) =  99.998%  kept
          HB2   LEU   31 - QD1   LEU   73   5.58 +/- 0.78   0.591% *  0.0854% (0.90   1.0  1.00   0.02   3.33) =   0.001%
          HG2   LYS+  99 - QD1   LEU  104   4.48 +/- 1.47   2.489% *  0.0132% (0.14   1.0  1.00   0.02  17.35) =   0.000%
          HB3   ASP-  44 - QD1   LEU   63   6.52 +/- 1.93   0.345% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU   73   9.33 +/- 1.98   0.029% *  0.9332% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU  104   6.23 +/- 1.02   0.711% *  0.0187% (0.20   1.0  1.00   0.02   6.70) =   0.000%
          HB3   ASP-  44 - QD1   LEU   73   7.81 +/- 1.11   0.101% *  0.0933% (0.98   1.0  1.00   0.02   7.18) =   0.000%
          HG    LEU   98 - QD1   LEU   73   7.61 +/- 1.00   0.099% *  0.0762% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   63 - QD1   LEU   73  11.39 +/- 1.23   0.007% *  0.9521% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   8.23 +/- 1.93   0.084% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   63 - QD1   LEU  104  10.96 +/- 1.23   0.008% *  0.2330% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  10.47 +/- 1.40   0.012% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU   63  15.75 +/- 2.06   0.001% *  0.9332% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63  10.08 +/- 0.95   0.013% *  0.0762% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  10.02 +/- 3.29   0.045% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73  10.75 +/- 0.79   0.009% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU  104  18.81 +/- 3.49   0.002% *  0.2284% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.24 +/- 0.62   0.120% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63   8.89 +/- 0.98   0.027% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   63  12.30 +/- 2.07   0.005% *  0.0795% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   73  11.58 +/- 0.61   0.005% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  12.74 +/- 1.36   0.004% *  0.0616% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   63  12.03 +/- 1.04   0.005% *  0.0539% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   73  12.24 +/- 0.65   0.004% *  0.0427% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU  104  10.30 +/- 1.20   0.012% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU  104  12.81 +/- 1.50   0.005% *  0.0228% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  14.15 +/- 1.49   0.002% *  0.0654% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU  104  12.64 +/- 1.32   0.005% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU   63  15.05 +/- 0.92   0.001% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  16.45 +/- 2.75   0.001% *  0.0854% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  12.54 +/- 0.87   0.004% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   73  13.04 +/- 1.20   0.003% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  16.96 +/- 2.45   0.003% *  0.0160% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   63  16.56 +/- 1.21   0.001% *  0.0427% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   63  15.02 +/- 1.41   0.001% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.26 +/- 1.35   0.001% *  0.0151% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   73  19.78 +/- 1.86   0.000% *  0.0795% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU  104  16.38 +/- 2.86   0.003% *  0.0041% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU  104  17.05 +/- 2.18   0.001% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 665 (0.88, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.86, residual support = 242.6:
    * O T HB3   LEU   63 - QD1   LEU   63   2.52 +/- 0.17  82.173% * 98.2083% (1.00  10.0 10.00   5.86 242.62) =  99.992%  kept
          QD1   LEU   71 - QD1   LEU   73   4.48 +/- 1.49  13.718% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.006%
          QG1   VAL   70 - QD1   LEU   63   5.97 +/- 1.23   1.057% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD1   LEU   73   6.20 +/- 0.78   0.542% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   63   7.06 +/- 1.15   0.386% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU   73  10.99 +/- 1.48   0.016% *  0.9821% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   63   6.95 +/- 1.36   0.383% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   63   8.93 +/- 1.67   0.362% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU  104   6.50 +/- 1.54   0.817% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104   9.92 +/- 1.43   0.034% *  0.2404% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   8.20 +/- 0.73   0.088% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   63   9.64 +/- 1.29   0.034% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104   8.99 +/- 2.40   0.188% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104   8.69 +/- 1.56   0.178% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   73  13.29 +/- 1.22   0.005% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  12.36 +/- 1.32   0.007% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU  104  12.17 +/- 0.45   0.007% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  14.55 +/- 1.62   0.003% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 666 (1.06, 0.58, 26.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.6, residual support = 242.6:
    * O T HG    LEU   63 - QD1   LEU   63   2.11 +/- 0.01  97.392% * 98.0591% (1.00  10.0 10.00   5.60 242.62) =  99.996%  kept
        T QG1   VAL  107 - QD1   LEU   63   4.51 +/- 1.40   2.366% *  0.1513% (0.15   1.0 10.00   0.02   0.43) =   0.004%
          QG2   VAL   24 - QD1   LEU   73   6.25 +/- 0.67   0.182% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU   73  11.85 +/- 1.14   0.004% *  0.9806% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  10.14 +/- 1.34   0.012% *  0.2400% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU  104   8.57 +/- 0.75   0.026% *  0.0370% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63  10.56 +/- 1.42   0.009% *  0.0749% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU   73  11.87 +/- 0.77   0.003% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - QD1   LEU   63  14.07 +/- 1.41   0.001% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - QD1   LEU  104  14.53 +/- 2.00   0.004% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  19.39 +/- 2.31   0.000% *  0.0749% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  17.71 +/- 1.34   0.000% *  0.0183% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 667 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
          QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
    *     QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 668 (0.57, 0.58, 26.34 ppm):
    2 diagonal assignments:
          QD1   LEU   73 - QD1   LEU   73  (0.57)  kept
          QD1   LEU   63 - QD1   LEU   63  (0.57)  kept
    Reference assignment not found: QD2   LEU   63 - QD1   LEU   63
 
    Peak 669 (3.50, 0.57, 23.00 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.72, residual support = 242.6:
    *   T HA    LEU   63 - QD2   LEU   63   2.48 +/- 0.39  99.996% * 99.8862% (1.00 10.00   5.72 242.62) = 100.000%  kept
          HA2   GLY  101 - QD2   LEU   63  14.80 +/- 1.45   0.004% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD2   LEU   63  18.45 +/- 1.18   0.001% *  0.0763% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.07 A, kept.
 
    Peak 670 (1.34, 0.57, 23.00 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 242.6:
    * O T HB2   LEU   63 - QD2   LEU   63   3.08 +/- 0.26  98.766% * 98.3391% (1.00  10.0 10.00   6.22 242.62) =  99.999%  kept
          HB3   ASP-  44 - QD2   LEU   63   8.37 +/- 1.49   0.379% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   63   8.99 +/- 2.05   0.356% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD2   LEU   63  10.34 +/- 1.26   0.103% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   63  10.29 +/- 1.64   0.111% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD2   LEU   63  17.33 +/- 1.69   0.004% *  0.9639% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD2   LEU   63  11.13 +/- 1.50   0.069% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   63   9.56 +/- 1.29   0.162% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   63  13.52 +/- 2.02   0.020% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD2   LEU   63  15.37 +/- 1.29   0.009% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   63  15.71 +/- 1.15   0.007% *  0.0675% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD2   LEU   63  15.68 +/- 1.81   0.009% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   63  16.52 +/- 1.28   0.005% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 671 (0.88, 0.57, 23.00 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.92, residual support = 242.6:
    * O T HB3   LEU   63 - QD2   LEU   63   2.39 +/- 0.35  85.309% * 99.7424% (1.00  10.0 10.00   5.92 242.62) =  99.992%  kept
          QG1   VAL   70 - QD2   LEU   63   4.72 +/- 1.50   7.858% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.005%
          QD1   LEU   71 - QD2   LEU   63   8.59 +/- 2.17   4.275% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  123 - QD2   LEU   63   5.81 +/- 1.83   2.403% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD2   LEU   63   7.84 +/- 1.24   0.140% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU   63  10.98 +/- 1.21   0.015% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.04 A, kept.
 
    Peak 672 (1.06, 0.57, 23.00 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.7, residual support = 242.6:
    * O T HG    LEU   63 - QD2   LEU   63   2.11 +/- 0.02  99.275% * 99.6738% (1.00  10.0 10.00   5.70 242.62) =  99.999%  kept
        T QG1   VAL  107 - QD2   LEU   63   5.45 +/- 1.50   0.713% *  0.1538% (0.15   1.0 10.00   0.02   0.43) =   0.001%
          HG3   LYS+ 112 - QD2   LEU   63  11.70 +/- 1.95   0.011% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - QD2   LEU   63  15.01 +/- 1.18   0.001% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 673 (0.58, 0.57, 23.00 ppm):
    1 diagonal assignment:
          QD2   LEU   63 - QD2   LEU   63  (0.57)  kept
    Reference assignment not found: QD1   LEU   63 - QD2   LEU   63
 
    Peak 674 (0.57, 0.57, 23.00 ppm):
    1 diagonal assignment:
    *     QD2   LEU   63 - QD2   LEU   63  (1.00)  kept
 
    Peak 675 (2.84, 2.84, 53.98 ppm):
    1 diagonal assignment:
    *     HA    ALA   64 - HA    ALA   64  (1.00)  kept
 
    Peak 676 (0.40, 2.84, 53.98 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 20.8:
    * O T QB    ALA   64 - HA    ALA   64   2.13 +/- 0.01  99.999% * 99.9825% (1.00  10.0 10.00   2.00  20.84) = 100.000%  kept
          QB    ALA   47 - HA    ALA   64  16.23 +/- 1.09   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 677 (2.84, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.982, support = 2.01, residual support = 21.3:
    * O T HA    ALA   64 - QB    ALA   64   2.13 +/- 0.01  92.641% * 72.6945% (1.00  10.0 10.00   2.00  20.84) =  97.105%  kept
        T HB2   PHE   72 - QB    ALA   64   3.82 +/- 1.00   7.358% * 27.2831% (0.38   1.0 10.00   2.48  36.83) =   2.895%  kept
          HB3   ASN   35 - QB    ALA   64  17.38 +/- 1.10   0.000% *  0.0224% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 678 (0.40, 0.40, 18.57 ppm):
    1 diagonal assignment:
    *     QB    ALA   64 - QB    ALA   64  (1.00)  kept
 
    Peak 679 (3.96, 3.96, 58.29 ppm):
    2 diagonal assignments:
    *     HA    LYS+  65 - HA    LYS+  65  (0.85)  kept
          HA    LYS+ 121 - HA    LYS+ 121  (0.06)  kept
 
    Peak 680 (1.80, 3.96, 58.29 ppm):
    16 chemical-shift based assignments, quality = 0.923, support = 6.3, residual support = 164.2:
    * O T QB    LYS+  65 - HA    LYS+  65   2.42 +/- 0.09  98.469% * 99.3780% (0.92  10.0 10.00   6.30 164.17) =  99.999%  kept
          QB    LYS+  66 - HA    LYS+  65   5.35 +/- 0.14   0.873% *  0.0563% (0.52   1.0  1.00   0.02  25.34) =   0.001%
          HB3   GLN   17 - HA    LYS+  65   7.17 +/- 2.29   0.592% *  0.0603% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+  65  13.00 +/- 0.91   0.005% *  0.0992% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HA    LYS+ 121  13.89 +/- 1.75   0.004% *  0.1121% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 121   9.85 +/- 2.88   0.044% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+ 121  13.40 +/- 2.73   0.006% *  0.0110% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  65  18.44 +/- 1.44   0.001% *  0.0830% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  65  17.03 +/- 1.04   0.001% *  0.0373% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  65  20.83 +/- 1.02   0.000% *  0.0974% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 121  16.99 +/- 3.20   0.002% *  0.0112% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+ 121  16.29 +/- 2.74   0.002% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+ 121  15.03 +/- 2.23   0.002% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  65  21.16 +/- 1.56   0.000% *  0.0248% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 121  18.70 +/- 1.99   0.001% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 121  21.84 +/- 1.75   0.000% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 682 (1.50, 3.96, 58.29 ppm):
    20 chemical-shift based assignments, quality = 0.868, support = 5.42, residual support = 172.3:
    * O T HG2   LYS+  65 - HA    LYS+  65   2.79 +/- 0.54  44.131% * 53.0514% (0.92  10.0 10.00   5.27 164.17) =  92.951%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.48 +/- 0.64  16.561% *  5.9339% (0.10   1.0 10.00   7.28 315.24) =   3.902%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.74 +/- 0.14  38.666% *  1.4928% (0.03  10.0 10.00   8.28 315.24) =   2.292%  kept
        T QD    LYS+  66 - HA    LYS+  65   5.76 +/- 0.58   0.560% * 38.5232% (0.67   1.0 10.00   5.45  25.34) =   0.856%  kept
        T QD    LYS+  66 - HA    LYS+ 121  10.58 +/- 2.90   0.034% *  0.0435% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  16.38 +/- 2.56   0.002% *  0.5258% (0.91   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  12.86 +/- 2.13   0.005% *  0.0819% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  15.93 +/- 2.14   0.001% *  0.1323% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  13.21 +/- 1.70   0.004% *  0.0443% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.47 +/- 1.52   0.001% *  0.0526% (0.91   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  16.81 +/- 1.83   0.001% *  0.0599% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.67 +/- 1.32   0.003% *  0.0118% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  10.71 +/- 2.94   0.019% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  12.71 +/- 3.27   0.008% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.22 +/- 1.81   0.001% *  0.0132% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  20.67 +/- 1.73   0.000% *  0.0092% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.54 +/- 1.47   0.000% *  0.0093% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.99 +/- 1.73   0.002% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  21.90 +/- 1.91   0.000% *  0.0059% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.55 +/- 1.56   0.000% *  0.0050% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 683 (1.38, 3.96, 58.29 ppm):
    28 chemical-shift based assignments, quality = 0.914, support = 5.29, residual support = 165.7:
    * O T HG3   LYS+  65 - HA    LYS+  65   3.06 +/- 0.60  68.234% * 94.0974% (0.92  10.0 10.00   5.27 164.17) =  98.977%  kept
        T HD3   LYS+ 121 - HA    LYS+ 121   3.89 +/- 0.71  31.582% *  2.1015% (0.02   1.0 10.00   6.65 315.24) =   1.023%  kept
        T HG3   LYS+ 106 - HA    LYS+ 121  11.34 +/- 1.77   0.046% *  0.0921% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  11.42 +/- 0.86   0.035% *  0.0941% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  18.98 +/- 1.80   0.002% *  0.9326% (0.91   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  17.41 +/- 2.77   0.007% *  0.1862% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  65  19.74 +/- 0.74   0.001% *  0.8162% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  14.76 +/- 1.23   0.008% *  0.0933% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  14.31 +/- 1.29   0.009% *  0.0683% (0.67   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+ 121  16.26 +/- 3.15   0.005% *  0.1041% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  17.15 +/- 1.77   0.003% *  0.1062% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+  65  24.41 +/- 1.35   0.000% *  0.9223% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  14.01 +/- 1.54   0.013% *  0.0209% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  65  18.85 +/- 2.04   0.002% *  0.0890% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.90 +/- 0.84   0.003% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  14.34 +/- 2.43   0.011% *  0.0106% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  65  16.83 +/- 1.39   0.003% *  0.0290% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  13.43 +/- 2.17   0.015% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  23.77 +/- 2.81   0.000% *  0.1052% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 121  15.91 +/- 0.98   0.004% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  65  18.62 +/- 1.20   0.002% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 121  15.04 +/- 2.47   0.009% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  65  21.84 +/- 1.20   0.001% *  0.0262% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  19.84 +/- 2.45   0.001% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 121  17.88 +/- 1.29   0.002% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  24.79 +/- 2.81   0.000% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  22.32 +/- 1.43   0.001% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 121  23.56 +/- 1.47   0.000% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 684 (1.66, 3.96, 58.29 ppm):
    22 chemical-shift based assignments, quality = 0.834, support = 5.13, residual support = 180.6:
    *   T QD    LYS+  65 - HA    LYS+  65   3.05 +/- 0.61  47.105% * 86.8789% (0.92   1.0 10.00   4.75 164.17) =  89.144%  kept
      O T HB2   LYS+ 121 - HA    LYS+ 121   2.93 +/- 0.08  50.937% *  9.7826% (0.10  10.0 10.00   8.24 315.24) =  10.854%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.13 +/- 0.40   1.892% *  0.0334% (0.04   1.0 10.00   0.02   2.32) =   0.001%
        T HB2   LYS+ 121 - HA    LYS+  65  15.43 +/- 2.07   0.003% *  0.8669% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  13.96 +/- 2.41   0.008% *  0.2964% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  12.67 +/- 2.25   0.012% *  0.0492% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  19.41 +/- 1.65   0.001% *  0.8020% (0.85   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  10.95 +/- 0.86   0.022% *  0.0242% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 121  14.64 +/- 2.75   0.006% *  0.0555% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 121  15.91 +/- 1.38   0.002% *  0.0980% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  17.20 +/- 3.29   0.002% *  0.0905% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  22.49 +/- 1.40   0.000% *  0.4919% (0.52   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  23.59 +/- 1.36   0.000% *  0.2166% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  65  22.51 +/- 1.48   0.000% *  0.1340% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  17.41 +/- 2.29   0.001% *  0.0244% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  18.45 +/- 1.53   0.001% *  0.0326% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 121  16.92 +/- 1.90   0.002% *  0.0151% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  23.17 +/- 1.07   0.000% *  0.0861% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  16.20 +/- 1.17   0.002% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  20.29 +/- 1.77   0.001% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  19.64 +/- 1.71   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  26.03 +/- 2.48   0.000% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.93, 3.96, 58.29 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 164.2:
    *   T QE    LYS+  65 - HA    LYS+  65   4.23 +/- 0.45  99.884% * 97.2340% (0.92 10.00   4.75 164.17) =  99.999%  kept
        T QE    LYS+  33 - HA    LYS+  65  17.12 +/- 2.37   0.044% *  0.8720% (0.83 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    LYS+ 121  16.64 +/- 1.66   0.039% *  0.1097% (0.10 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LYS+  65  23.97 +/- 1.60   0.004% *  0.9384% (0.89 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    LYS+  65  22.91 +/- 1.33   0.005% *  0.5898% (0.56 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    LYS+ 121  22.72 +/- 2.56   0.006% *  0.0984% (0.09 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  65  25.69 +/- 1.13   0.002% *  0.0898% (0.85  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  65  23.55 +/- 2.23   0.005% *  0.0365% (0.35  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 121  23.08 +/- 3.12   0.005% *  0.0067% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+ 121  25.84 +/- 2.54   0.002% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LYS+ 121  27.73 +/- 2.38   0.002% *  0.0106% (0.10  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+ 121  29.64 +/- 1.47   0.001% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 5.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 686 (3.96, 1.80, 33.13 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 6.3, residual support = 164.2:
    * O T HA    LYS+  65 - QB    LYS+  65   2.42 +/- 0.09  99.394% * 98.7802% (0.92  10.0 10.00   6.30 164.17) =  99.999%  kept
          HA2   GLY   16 - QB    LYS+  65   6.45 +/- 1.53   0.578% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 121 - QB    LYS+  65  13.89 +/- 1.75   0.004% *  0.6058% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  65  11.12 +/- 1.82   0.018% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QB    LYS+  65  13.80 +/- 0.91   0.003% *  0.0267% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    LYS+  65  17.05 +/- 0.86   0.001% *  0.0692% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    LYS+  65  18.86 +/- 1.83   0.001% *  0.0818% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    LYS+  65  18.42 +/- 1.66   0.001% *  0.0521% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    LYS+  65  18.43 +/- 1.02   0.001% *  0.0365% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    LYS+  65  24.24 +/- 0.93   0.000% *  0.1033% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    LYS+  65  22.34 +/- 0.97   0.000% *  0.0212% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  65  25.61 +/- 1.22   0.000% *  0.0187% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.80, 1.80, 33.13 ppm):
    1 diagonal assignment:
    *     QB    LYS+  65 - QB    LYS+  65  (1.00)  kept
 
    Peak 689 (1.50, 1.80, 33.13 ppm):
    10 chemical-shift based assignments, quality = 0.984, support = 5.55, residual support = 156.1:
    * O T HG2   LYS+  65 - QB    LYS+  65   2.43 +/- 0.14  92.162% * 57.5064% (1.00  10.0 10.00   5.57 164.17) =  94.207%  kept
        T QD    LYS+  66 - QB    LYS+  65   4.30 +/- 0.99   7.805% * 41.7582% (0.73   1.0 10.00   5.32  25.34) =   5.793%  kept
        T HD2   LYS+ 121 - QB    LYS+  65  13.87 +/- 2.06   0.006% *  0.5700% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QB    LYS+  65  12.56 +/- 1.51   0.006% *  0.0480% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  65  15.12 +/- 1.26   0.002% *  0.0570% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  65  11.75 +/- 1.92   0.011% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  65  13.68 +/- 1.80   0.004% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QB    LYS+  65  13.33 +/- 0.81   0.004% *  0.0128% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  65  16.73 +/- 1.70   0.001% *  0.0143% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  65  16.94 +/- 1.33   0.001% *  0.0101% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 691 (1.66, 1.80, 33.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 164.2:
    * O T QD    LYS+  65 - QB    LYS+  65   2.12 +/- 0.15  99.948% * 97.4795% (1.00  10.0 10.00   5.05 164.17) = 100.000%  kept
          QB    ALA   57 - QB    LYS+  65   8.70 +/- 0.94   0.034% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+  65  15.58 +/- 1.43   0.001% *  0.3659% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+  65  13.06 +/- 1.79   0.003% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+  65  11.52 +/- 2.07   0.008% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QB    LYS+  65  11.80 +/- 1.96   0.005% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QB    LYS+  65  18.57 +/- 1.23   0.000% *  0.8998% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QB    LYS+  65  20.58 +/- 1.28   0.000% *  0.5519% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  65  19.65 +/- 1.25   0.000% *  0.2431% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+  65  18.67 +/- 1.47   0.000% *  0.1504% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+  65  21.26 +/- 1.08   0.000% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 692 (2.93, 1.80, 33.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 164.2:
    *   T QE    LYS+  65 - QB    LYS+  65   3.21 +/- 0.49  99.987% * 98.8300% (1.00 10.00   5.05 164.17) = 100.000%  kept
        T QE    LYS+  33 - QB    LYS+  65  16.98 +/- 1.99   0.008% *  0.8863% (0.90 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QB    LYS+  65  22.82 +/- 1.15   0.001% *  0.0954% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  65  21.21 +/- 2.04   0.002% *  0.0371% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+  65  22.00 +/- 0.93   0.001% *  0.0599% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  65  23.41 +/- 0.92   0.001% *  0.0912% (0.92  1.00   0.02   0.02) =   0.000%
    Distance limit 5.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 700 (3.96, 1.50, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 5.27, residual support = 164.2:
    * O T HA    LYS+  65 - HG2   LYS+  65   2.79 +/- 0.54  99.133% * 97.8884% (0.92  10.0 10.00   5.27 164.17) =  99.999%  kept
          HA2   GLY   16 - HG2   LYS+  65   6.90 +/- 1.74   0.812% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.001%
        T HA    ALA  120 - HG2   LYS+  65  13.93 +/- 2.10   0.035% *  1.0031% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG2   LYS+  65  16.81 +/- 1.83   0.006% *  0.6004% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - HG2   LYS+  65  16.31 +/- 0.94   0.006% *  0.0264% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+  65  18.65 +/- 1.41   0.002% *  0.0686% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+  65  19.94 +/- 2.01   0.002% *  0.0516% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+  65  20.06 +/- 2.41   0.001% *  0.0810% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   LYS+  65  20.01 +/- 1.38   0.001% *  0.0362% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+  65  26.23 +/- 1.70   0.000% *  0.1023% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   LYS+  65  24.48 +/- 1.99   0.000% *  0.0210% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   LYS+  65  27.84 +/- 2.07   0.000% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 701 (1.80, 1.50, 25.13 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.57, residual support = 164.2:
    * O T QB    LYS+  65 - HG2   LYS+  65   2.43 +/- 0.14  98.802% * 99.0387% (1.00  10.0 10.00   5.57 164.17) =  99.997%  kept
        T QB    LYS+  66 - HG2   LYS+  65   6.29 +/- 0.72   0.497% *  0.5607% (0.57   1.0 10.00   0.02  25.34) =   0.003%
          HB3   GLN   17 - HG2   LYS+  65   7.60 +/- 2.95   0.696% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG2   LYS+  65  14.26 +/- 1.35   0.003% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+  65  16.98 +/- 1.65   0.001% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   LYS+  65  17.96 +/- 1.14   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   LYS+  65  21.75 +/- 1.10   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+  65  21.70 +/- 1.38   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 703 (1.50, 1.50, 25.13 ppm):
    1 diagonal assignment:
    *     HG2   LYS+  65 - HG2   LYS+  65  (1.00)  kept
 
    Peak 705 (1.66, 1.50, 25.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 164.2:
    * O T QD    LYS+  65 - HG2   LYS+  65   2.28 +/- 0.09  99.950% * 96.4735% (1.00  10.0 10.00   4.44 164.17) = 100.000%  kept
        T HD2   LYS+  74 - HG2   LYS+  65  11.92 +/- 2.92   0.009% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HG2   LYS+  65  15.69 +/- 1.82   0.001% *  0.9626% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+  65   9.24 +/- 1.22   0.035% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  65  21.08 +/- 1.70   0.000% *  0.8906% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  65  14.44 +/- 2.42   0.003% *  0.0329% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  65  23.30 +/- 1.42   0.000% *  0.5462% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  65  16.92 +/- 1.82   0.001% *  0.0362% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  65  22.33 +/- 1.47   0.000% *  0.2406% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  65  21.21 +/- 1.73   0.000% *  0.1489% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  65  22.69 +/- 1.91   0.000% *  0.0956% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 706 (2.93, 1.50, 25.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 164.2:
    * O T QE    LYS+  65 - HG2   LYS+  65   2.76 +/- 0.30  99.997% * 98.8300% (1.00  10.0 10.00   4.44 164.17) = 100.000%  kept
        T QE    LYS+  33 - HG2   LYS+  65  18.41 +/- 2.69   0.002% *  0.8863% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+  65  24.54 +/- 2.34   0.000% *  0.0954% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  65  22.31 +/- 2.82   0.001% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  65  25.33 +/- 1.82   0.000% *  0.0912% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  65  24.33 +/- 1.64   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 707 (3.96, 1.66, 29.54 ppm):
    60 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 164.2:
    *   T HA    LYS+  65 - QD    LYS+  65   3.05 +/- 0.61  95.080% * 96.9449% (0.92 10.00   4.75 164.17) =  99.995%  kept
          HA2   GLY   16 - QD    LYS+  65   6.10 +/- 1.71   3.839% *  0.1014% (0.97  1.00   0.02   0.02) =   0.004%
        T HA    LYS+ 121 - QD    LYS+  65  15.91 +/- 1.38   0.010% *  0.5946% (0.57 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+ 102  14.64 +/- 2.75   0.037% *  0.1503% (0.14 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  65  13.11 +/- 1.70   0.044% *  0.0993% (0.95  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+ 111   9.22 +/- 1.65   0.249% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD2   LYS+ 111   8.85 +/- 1.42   0.335% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+  38  17.20 +/- 3.29   0.008% *  0.1086% (0.10 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+ 111  17.41 +/- 2.29   0.005% *  0.1472% (0.14 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD2   LYS+ 111  16.92 +/- 1.90   0.006% *  0.0911% (0.09 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+  38  19.41 +/- 1.65   0.003% *  0.1771% (0.17 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 111  13.01 +/- 1.97   0.047% *  0.0104% (0.10  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 111  13.43 +/- 1.70   0.028% *  0.0168% (0.16  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  65  15.48 +/- 1.08   0.013% *  0.0262% (0.25  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  38  10.47 +/- 0.54   0.090% *  0.0038% (0.04  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  65  18.27 +/- 1.39   0.005% *  0.0679% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+ 102  22.49 +/- 1.40   0.001% *  0.2450% (0.23 10.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  65  18.74 +/- 1.77   0.005% *  0.0511% (0.49  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+ 102  16.19 +/- 2.16   0.014% *  0.0172% (0.16  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  65  18.93 +/- 1.99   0.003% *  0.0803% (0.76  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+ 111  23.59 +/- 1.36   0.001% *  0.2400% (0.23 10.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+ 102  24.09 +/- 3.83   0.010% *  0.0203% (0.19  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  14.62 +/- 3.18   0.020% *  0.0089% (0.08  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+ 102  19.62 +/- 4.22   0.007% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD2   LYS+ 111  22.51 +/- 1.48   0.001% *  0.1485% (0.14 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+ 102  18.21 +/- 2.25   0.006% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  65  19.05 +/- 1.30   0.004% *  0.0358% (0.34  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD2   LYS+ 111  13.98 +/- 2.89   0.024% *  0.0055% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+ 111  17.09 +/- 1.52   0.005% *  0.0246% (0.23  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+ 102  15.50 +/- 2.00   0.018% *  0.0066% (0.06  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD2   LYS+ 111  16.35 +/- 1.29   0.007% *  0.0152% (0.14  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 111  19.57 +/- 2.67   0.005% *  0.0199% (0.19  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 111  16.72 +/- 2.66   0.007% *  0.0127% (0.12  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+ 102  14.23 +/- 1.68   0.017% *  0.0053% (0.05  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  38  18.91 +/- 2.22   0.004% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  65  24.77 +/- 1.48   0.001% *  0.1014% (0.97  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 111  15.99 +/- 2.43   0.008% *  0.0078% (0.07  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  38  19.57 +/- 3.00   0.003% *  0.0181% (0.17  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 111  19.10 +/- 2.43   0.004% *  0.0123% (0.12  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+ 102  25.34 +/- 3.72   0.005% *  0.0091% (0.09  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+ 102  20.58 +/- 4.44   0.006% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 111  22.98 +/- 2.21   0.001% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+ 102  23.60 +/- 1.78   0.001% *  0.0256% (0.24  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+ 102  27.84 +/- 3.76   0.001% *  0.0129% (0.12  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  65  23.11 +/- 1.71   0.001% *  0.0208% (0.20  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  38  21.54 +/- 0.98   0.001% *  0.0124% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 111  22.89 +/- 2.36   0.001% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  38  24.03 +/- 2.16   0.001% *  0.0185% (0.18  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  38  19.94 +/- 1.91   0.002% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 111  27.65 +/- 1.66   0.000% *  0.0251% (0.24  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  65  26.43 +/- 1.75   0.000% *  0.0184% (0.18  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 111  26.59 +/- 1.80   0.000% *  0.0155% (0.15  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  38  26.99 +/- 1.87   0.000% *  0.0147% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  21.36 +/- 2.57   0.001% *  0.0046% (0.04  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  32.29 +/- 2.59   0.000% *  0.0515% (0.05 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD2   LYS+ 111  21.34 +/- 2.67   0.001% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  38  29.52 +/- 2.39   0.000% *  0.0065% (0.06  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  38  31.31 +/- 2.79   0.000% *  0.0093% (0.09  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  38  26.65 +/- 2.23   0.000% *  0.0034% (0.03  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD2   LYS+ 111  31.84 +/- 2.60   0.000% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.07 A, kept.
 
    Peak 708 (1.80, 1.66, 29.54 ppm):
    40 chemical-shift based assignments, quality = 0.867, support = 4.99, residual support = 163.3:
    * O T QB    LYS+  65 - QD    LYS+  65   2.12 +/- 0.15  51.748% * 77.3143% (1.00  10.0 10.00   5.05 164.17) =  82.336%  kept
      O T QB    LYS+ 102 - QD    LYS+ 102   2.20 +/- 0.30  44.798% * 19.1545% (0.25  10.0 10.00   4.75 159.26) =  17.659%  kept
        T HG2   PRO   93 - HD2   LYS+ 111   9.84 +/- 3.06   2.126% *  0.0989% (0.13   1.0 10.00   0.02   0.02) =   0.004%
          HB3   GLN   17 - QD    LYS+  65   7.06 +/- 2.81   0.653% *  0.0469% (0.61   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD    LYS+  65   6.37 +/- 0.30   0.071% *  0.0438% (0.57   1.0  1.00   0.02  25.34) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  38   8.63 +/- 1.35   0.019% *  0.1384% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+ 102   6.29 +/- 1.19   0.521% *  0.0049% (0.06   1.0  1.00   0.02  22.44) =   0.000%
          HG2   PRO   93 - HD3   LYS+ 111  10.67 +/- 2.74   0.046% *  0.0160% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102  10.13 +/- 1.18   0.007% *  0.0733% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  38  10.25 +/- 0.88   0.005% *  0.0530% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  16.54 +/- 1.67   0.000% *  0.6458% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  14.08 +/- 1.28   0.001% *  0.0771% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  17.52 +/- 1.08   0.000% *  0.2902% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  20.63 +/- 1.05   0.000% *  0.7578% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  38  11.10 +/- 0.87   0.003% *  0.0141% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+  38  18.57 +/- 1.23   0.000% *  0.1412% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD3   LYS+ 111  19.65 +/- 1.25   0.000% *  0.1914% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  18.67 +/- 1.47   0.000% *  0.1184% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  20.58 +/- 1.28   0.000% *  0.1954% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  14.28 +/- 1.09   0.001% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  21.21 +/- 1.76   0.000% *  0.1632% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  21.42 +/- 2.38   0.000% *  0.1161% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  38  12.86 +/- 1.30   0.001% *  0.0035% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  38  15.66 +/- 1.38   0.000% *  0.0080% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  17.37 +/- 1.67   0.000% *  0.0111% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  38  25.59 +/- 1.28   0.000% *  0.1180% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  22.99 +/- 2.25   0.000% *  0.0445% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   LYS+ 111  18.71 +/- 1.49   0.000% *  0.0108% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   LYS+ 111  21.57 +/- 2.68   0.000% *  0.0188% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  20.94 +/- 1.35   0.000% *  0.0193% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  17.84 +/- 1.40   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  38  20.50 +/- 1.75   0.000% *  0.0086% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   LYS+ 111  20.34 +/- 3.03   0.000% *  0.0048% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   LYS+ 111  25.08 +/- 2.19   0.000% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  20.14 +/- 2.89   0.000% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  24.36 +/- 2.15   0.000% *  0.0118% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  24.29 +/- 1.32   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   LYS+ 111  23.49 +/- 2.37   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   LYS+ 111  27.09 +/- 2.19   0.000% *  0.0116% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  26.04 +/- 2.29   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (1.50, 1.66, 29.54 ppm):
    50 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 164.2:
    * O T HG2   LYS+  65 - QD    LYS+  65   2.28 +/- 0.09  83.734% * 94.3122% (1.00  10.0 10.00   4.44 164.17) =  99.991%  kept
      O   HB3   LYS+ 111 - HD2   LYS+ 111   3.43 +/- 0.45  11.726% *  0.0253% (0.03  10.0  1.00   0.02 315.37) =   0.004%
        T QD    LYS+  66 - QD    LYS+  65   6.00 +/- 0.88   0.405% *  0.6848% (0.73   1.0 10.00   0.02  25.34) =   0.004%
      O   HB3   LYS+ 111 - HD3   LYS+ 111   3.84 +/- 0.25   3.784% *  0.0409% (0.04  10.0  1.00   0.02 315.37) =   0.002%
        T HB2   LYS+  74 - QD    LYS+  65  12.67 +/- 2.14   0.004% *  0.7878% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+ 102   7.09 +/- 1.14   0.245% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  65  11.96 +/- 2.47   0.007% *  0.1455% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  65  15.84 +/- 1.82   0.001% *  0.9348% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+ 102  14.47 +/- 2.57   0.002% *  0.2363% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HD3   LYS+ 111  15.13 +/- 3.15   0.002% *  0.2314% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  65  15.72 +/- 1.45   0.001% *  0.2352% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+ 102  13.19 +/- 2.49   0.003% *  0.0594% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   8.25 +/- 0.86   0.050% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  65  15.13 +/- 1.96   0.001% *  0.0935% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  18.04 +/- 2.97   0.000% *  0.1708% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+  38  17.17 +/- 1.69   0.001% *  0.1251% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  38  10.28 +/- 1.43   0.014% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HD3   LYS+ 111  16.36 +/- 2.57   0.001% *  0.0582% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+ 102  19.04 +/- 1.93   0.000% *  0.1731% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HD3   LYS+ 111  19.39 +/- 1.55   0.000% *  0.1695% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  38  16.37 +/- 2.94   0.001% *  0.0430% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HD3   LYS+ 111  22.33 +/- 2.59   0.000% *  0.1950% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+ 102  11.59 +/- 1.34   0.006% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HD2   LYS+ 111  14.71 +/- 2.77   0.002% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  21.08 +/- 1.70   0.000% *  0.1723% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  65  14.80 +/- 1.05   0.001% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD3   LYS+ 111  22.33 +/- 1.47   0.000% *  0.2335% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  20.52 +/- 0.92   0.000% *  0.1439% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD2   LYS+ 111  21.21 +/- 1.73   0.000% *  0.1445% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  14.88 +/- 0.50   0.001% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+ 102  23.30 +/- 1.42   0.000% *  0.2384% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HD3   LYS+ 111  19.94 +/- 2.65   0.000% *  0.0360% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+ 102  17.10 +/- 1.49   0.001% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  65  18.47 +/- 1.59   0.000% *  0.0235% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  65  18.46 +/- 1.92   0.000% *  0.0165% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+ 102  21.50 +/- 1.73   0.000% *  0.0368% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HD2   LYS+ 111  15.91 +/- 2.13   0.001% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD2   LYS+ 111  18.47 +/- 1.50   0.000% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD2   LYS+ 111  21.51 +/- 2.74   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD    LYS+ 102  20.88 +/- 1.56   0.000% *  0.0199% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  38  22.01 +/- 1.24   0.000% *  0.0266% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   LYS+ 111  19.07 +/- 2.76   0.001% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 111  24.88 +/- 2.14   0.000% *  0.0231% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 111  21.15 +/- 2.87   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+ 111  24.34 +/- 2.23   0.000% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 102  20.52 +/- 2.61   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HD2   LYS+ 111  20.78 +/- 2.57   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 111  24.26 +/- 2.18   0.000% *  0.0052% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+ 111  23.62 +/- 1.95   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  38  26.20 +/- 2.15   0.000% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 712 (1.66, 1.66, 29.54 ppm):
    5 diagonal assignments:
    *     QD    LYS+  65 - QD    LYS+  65  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.17)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.14)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.06)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 713 (2.93, 1.66, 29.54 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 164.2:
    * O T QE    LYS+  65 - QD    LYS+  65   2.11 +/- 0.03  99.935% * 97.0780% (1.00  10.0 10.00   4.00 164.17) = 100.000%  kept
        T QE    LYS+  33 - QD    LYS+  38  11.09 +/- 1.11   0.006% *  0.1590% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  38   7.73 +/- 0.76   0.050% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+  65  17.28 +/- 2.21   0.000% *  0.8706% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+ 102  16.62 +/- 1.28   0.000% *  0.2201% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 102  12.12 +/- 1.58   0.004% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+ 102  17.41 +/- 4.80   0.002% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  20.92 +/- 2.11   0.000% *  0.2403% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD2   LYS+ 111  19.92 +/- 2.32   0.000% *  0.1487% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  38  20.60 +/- 1.49   0.000% *  0.1773% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+ 102  22.75 +/- 1.27   0.000% *  0.2454% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+ 102  17.89 +/- 2.07   0.000% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  38  17.01 +/- 0.56   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  65  21.12 +/- 2.68   0.000% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  65  23.27 +/- 2.01   0.000% *  0.0937% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  65  24.20 +/- 1.50   0.000% *  0.0896% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  65  22.96 +/- 1.36   0.000% *  0.0589% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  29.78 +/- 2.03   0.000% *  0.2155% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  24.12 +/- 3.77   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD2   LYS+ 111  29.19 +/- 2.16   0.000% *  0.1334% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD2   LYS+ 111  23.61 +/- 3.79   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  38  21.99 +/- 2.61   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  23.37 +/- 2.65   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD2   LYS+ 111  23.16 +/- 2.77   0.000% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+ 102  26.35 +/- 3.06   0.000% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  30.93 +/- 2.85   0.000% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD2   LYS+ 111  30.50 +/- 2.83   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  31.64 +/- 2.52   0.000% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  38  28.68 +/- 0.89   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD2   LYS+ 111  31.21 +/- 2.43   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 721 (3.96, 2.93, 42.22 ppm):
    24 chemical-shift based assignments, quality = 0.915, support = 4.73, residual support = 162.7:
    *   T HA    LYS+  65 - QE    LYS+  65   4.23 +/- 0.45  82.433% * 88.0388% (0.92 10.00   4.75 164.17) =  99.012%  kept
        T HA    GLN   32 - QE    LYS+  33   6.95 +/- 0.93   7.368% *  9.7024% (0.10 10.00   3.24  11.36) =   0.975%  kept
          HA2   GLY   16 - QE    LYS+  65   6.94 +/- 1.40   9.677% *  0.0920% (0.97  1.00   0.02   0.02) =   0.012%
        T HA    LYS+ 121 - QE    LYS+  65  16.64 +/- 1.66   0.032% *  0.5399% (0.57 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QE    LYS+  33  17.12 +/- 2.37   0.037% *  0.4526% (0.47 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  65  13.79 +/- 2.07   0.151% *  0.0902% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QE    LYS+  33  14.81 +/- 2.12   0.132% *  0.0473% (0.50  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  65  18.40 +/- 2.36   0.022% *  0.0729% (0.76  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QE    LYS+  33  22.72 +/- 2.56   0.005% *  0.2776% (0.29 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  65  15.74 +/- 1.35   0.045% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  65  18.27 +/- 1.35   0.017% *  0.0617% (0.65  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  65  18.05 +/- 1.95   0.019% *  0.0464% (0.49  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  23.73 +/- 1.56   0.003% *  0.1887% (0.20 10.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  18.49 +/- 1.35   0.015% *  0.0325% (0.34  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  33  19.95 +/- 1.55   0.009% *  0.0473% (0.50  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  33  20.21 +/- 1.28   0.009% *  0.0317% (0.33  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  33  21.78 +/- 2.23   0.007% *  0.0375% (0.39  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  65  24.65 +/- 1.75   0.003% *  0.0920% (0.97  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  33  23.55 +/- 2.63   0.004% *  0.0464% (0.49  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  33  23.36 +/- 1.70   0.004% *  0.0122% (0.13  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  33  27.60 +/- 2.94   0.002% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  26.38 +/- 2.48   0.002% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  26.27 +/- 2.02   0.002% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  23.51 +/- 1.86   0.003% *  0.0086% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.03 A, kept.
 
    Peak 722 (1.80, 2.93, 42.22 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 164.2:
    *   T QB    LYS+  65 - QE    LYS+  65   3.21 +/- 0.49  92.341% * 98.8024% (1.00 10.00   5.05 164.17) =  99.995%  kept
          HB3   GLN   17 - QE    LYS+  65   7.32 +/- 2.70   5.782% *  0.0599% (0.61  1.00   0.02   0.02) =   0.004%
          QB    LYS+  66 - QE    LYS+  65   7.22 +/- 0.77   0.871% *  0.0559% (0.57  1.00   0.02  25.34) =   0.001%
          HB2   LEU   71 - QE    LYS+  33   8.30 +/- 2.13   0.810% *  0.0507% (0.51  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QE    LYS+  33  16.98 +/- 1.99   0.007% *  0.5079% (0.51 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  33  10.67 +/- 1.18   0.114% *  0.0191% (0.19  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  65  14.72 +/- 0.98   0.013% *  0.0986% (1.00  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  65  16.23 +/- 1.68   0.009% *  0.0825% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  33  14.22 +/- 1.77   0.022% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  33  15.55 +/- 1.13   0.009% *  0.0498% (0.50  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  33  16.40 +/- 2.17   0.010% *  0.0288% (0.29  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  65  18.16 +/- 0.94   0.004% *  0.0371% (0.38  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  65  21.35 +/- 0.95   0.001% *  0.0968% (0.98  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  33  16.42 +/- 0.94   0.007% *  0.0127% (0.13  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  33  23.62 +/- 1.78   0.001% *  0.0424% (0.43  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  65  21.52 +/- 1.22   0.001% *  0.0246% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.02 A, kept.
 
    Peak 724 (1.50, 2.93, 42.22 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 164.2:
    * O T HG2   LYS+  65 - QE    LYS+  65   2.76 +/- 0.30  96.075% * 98.8048% (1.00  10.0 10.00   4.44 164.17) =  99.997%  kept
          QD    LYS+  66 - QE    LYS+  65   6.90 +/- 1.41   2.552% *  0.0717% (0.73   1.0  1.00   0.02  25.34) =   0.002%
          QG2   THR   26 - QE    LYS+  33   6.32 +/- 1.37   1.246% *  0.0503% (0.51   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QE    LYS+  65  12.48 +/- 2.35   0.021% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QE    LYS+  33  18.41 +/- 2.69   0.002% *  0.5079% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  65  11.63 +/- 2.65   0.043% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  65  15.26 +/- 2.02   0.005% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  65  16.49 +/- 1.74   0.003% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  33  13.84 +/- 1.43   0.008% *  0.0424% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  33  11.88 +/- 1.46   0.027% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QE    LYS+  33  18.09 +/- 2.17   0.002% *  0.0369% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  65  15.74 +/- 1.18   0.003% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  65  16.41 +/- 1.66   0.003% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  33  16.31 +/- 1.53   0.003% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  65  18.37 +/- 2.11   0.002% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  65  19.28 +/- 1.63   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  33  22.80 +/- 2.51   0.000% *  0.0503% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  33  16.39 +/- 1.42   0.003% *  0.0078% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  33  21.33 +/- 2.48   0.001% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  33  27.42 +/- 2.09   0.000% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.03 A, kept.
 
    Peak 726 (1.66, 2.93, 42.22 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 164.2:
    * O T QD    LYS+  65 - QE    LYS+  65   2.11 +/- 0.03  99.933% * 96.2302% (1.00  10.0 10.00   4.00 164.17) = 100.000%  kept
        T QD    LYS+  38 - QE    LYS+  33  11.09 +/- 1.11   0.006% *  0.4567% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  65   8.56 +/- 1.28   0.048% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  65  11.90 +/- 2.68   0.006% *  0.0545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  33  17.28 +/- 2.21   0.000% *  0.4947% (0.51   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  33  16.62 +/- 1.28   0.000% *  0.2801% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  65  20.60 +/- 1.49   0.000% *  0.8883% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  65  15.73 +/- 1.56   0.001% *  0.0960% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  65  14.22 +/- 2.23   0.002% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  65  22.75 +/- 1.27   0.000% *  0.5448% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  20.92 +/- 2.11   0.000% *  0.2400% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  65  19.92 +/- 2.32   0.000% *  0.1485% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  15.09 +/- 1.53   0.001% *  0.0280% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  33  16.83 +/- 1.56   0.000% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  65  16.09 +/- 1.71   0.001% *  0.0361% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  65  21.65 +/- 1.90   0.000% *  0.0954% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  33  21.84 +/- 2.22   0.000% *  0.0494% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  19.21 +/- 2.10   0.000% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  29.78 +/- 2.03   0.000% *  0.1234% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  33  23.51 +/- 3.04   0.000% *  0.0169% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  33  29.19 +/- 2.16   0.000% *  0.0763% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  33  23.66 +/- 1.77   0.000% *  0.0186% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 727 (2.93, 2.93, 42.22 ppm):
    2 diagonal assignments:
    *     QE    LYS+  65 - QE    LYS+  65  (1.00)  kept
          QE    LYS+  33 - QE    LYS+  33  (0.46)  kept
 
    Peak 728 (4.07, 4.07, 57.65 ppm):
    1 diagonal assignment:
    *     HA    LYS+  66 - HA    LYS+  66  (1.00)  kept
 
    Peak 729 (1.82, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.997, support = 4.99, residual support = 112.5:
    * O T QB    LYS+  66 - HA    LYS+  66   2.41 +/- 0.11  96.036% * 86.1478% (1.00  10.0 10.00   4.99 113.08) =  99.392%  kept
          QB    LYS+  65 - HA    LYS+  66   4.14 +/- 0.21   3.901% * 12.9805% (0.57   1.0  1.00   5.32  25.34) =   0.608%  kept
          HG    LEU  123 - HA    LYS+  66  10.14 +/- 3.10   0.058% *  0.0488% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+  66  13.82 +/- 0.90   0.003% *  0.0453% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  66  22.37 +/- 1.29   0.000% *  0.4877% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  66  17.23 +/- 0.91   0.001% *  0.0815% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  66  19.68 +/- 1.82   0.000% *  0.0773% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  66  19.47 +/- 1.46   0.000% *  0.0592% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  66  20.56 +/- 1.81   0.000% *  0.0720% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 731 (1.44, 4.07, 57.65 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 113.1:
    * O T QG    LYS+  66 - HA    LYS+  66   2.60 +/- 0.34  97.613% * 98.9829% (1.00  10.0 10.00   4.31 113.08) =  99.996%  kept
        T HG    LEU   67 - HA    LYS+  66   6.28 +/- 0.89   0.751% *  0.3715% (0.38   1.0 10.00   0.02  10.10) =   0.003%
          HB3   LEU   67 - HA    LYS+  66   5.88 +/- 0.73   1.489% *  0.0936% (0.95   1.0  1.00   0.02  10.10) =   0.001%
          QB    ALA   61 - HA    LYS+  66   8.24 +/- 0.40   0.124% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  66  12.80 +/- 1.25   0.010% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  66  14.49 +/- 1.48   0.006% *  0.0521% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+  66  15.94 +/- 0.73   0.002% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  66  14.85 +/- 1.30   0.004% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  66  18.11 +/- 1.65   0.001% *  0.0600% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    LYS+  66  22.52 +/- 2.20   0.000% *  0.0859% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  66  25.39 +/- 1.51   0.000% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  66  25.36 +/- 1.18   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 732 (1.51, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 113.1:
    *   T QD    LYS+  66 - HA    LYS+  66   2.38 +/- 0.38  99.384% * 98.7926% (1.00 10.00   4.31 113.08) =  99.999%  kept
          HG2   LYS+  65 - HA    LYS+  66   6.28 +/- 0.82   0.581% *  0.0717% (0.73  1.00   0.02  25.34) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  66  13.83 +/- 3.42   0.017% *  0.7911% (0.80 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    LYS+  66  13.36 +/- 3.04   0.010% *  0.0679% (0.69  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  66  16.64 +/- 2.48   0.002% *  0.0679% (0.69  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+  66  15.91 +/- 1.74   0.002% *  0.0520% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  66  16.37 +/- 1.16   0.002% *  0.0371% (0.38  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  66  17.72 +/- 0.88   0.001% *  0.0639% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  66  20.00 +/- 1.32   0.000% *  0.0559% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.01 A, kept.
 
    Peak 733 (2.87, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 113.1:
    *   T QE    LYS+  66 - HA    LYS+  66   3.96 +/- 0.53  99.677% * 99.6609% (1.00 10.00   3.74 113.08) = 100.000%  kept
          HB2   ASN   69 - HA    LYS+  66  10.75 +/- 0.63   0.318% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  66  23.41 +/- 1.12   0.003% *  0.2219% (0.22 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HA    LYS+  66  23.66 +/- 0.70   0.003% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 4.99, residual support = 113.1:
    * O T HA    LYS+  66 - QB    LYS+  66   2.41 +/- 0.11  99.832% * 99.9488% (1.00  10.0 10.00   4.99 113.08) = 100.000%  kept
          HA1   GLY   16 - QB    LYS+  66   7.80 +/- 1.59   0.168% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  66  20.73 +/- 1.11   0.000% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    LYS+  66  25.09 +/- 1.24   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 735 (1.82, 1.82, 33.88 ppm):
    1 diagonal assignment:
    *     QB    LYS+  66 - QB    LYS+  66  (1.00)  kept
 
    Peak 737 (1.44, 1.82, 33.88 ppm):
    12 chemical-shift based assignments, quality = 0.994, support = 4.31, residual support = 112.2:
    * O T QG    LYS+  66 - QB    LYS+  66   2.05 +/- 0.01  97.206% * 71.9610% (1.00  10.0 10.00   4.31 113.08) =  99.108%  kept
        T HG    LEU   67 - QB    LYS+  66   5.26 +/- 1.32   2.330% * 27.0078% (0.38   1.0 10.00   3.91  10.10) =   0.892%  kept
          HB3   LEU   67 - QB    LYS+  66   5.28 +/- 0.39   0.384% *  0.0681% (0.95   1.0  1.00   0.02  10.10) =   0.000%
          QB    ALA   61 - QB    LYS+  66   7.08 +/- 0.49   0.063% *  0.0601% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QB    LYS+  66  10.13 +/- 1.12   0.009% *  0.0350% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+  66  11.32 +/- 1.46   0.005% *  0.0350% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QB    LYS+  66  18.49 +/- 2.02   0.000% *  0.6242% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+  66  13.41 +/- 0.77   0.001% *  0.0681% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+  66  13.20 +/- 1.25   0.002% *  0.0379% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+  66  14.71 +/- 1.62   0.001% *  0.0436% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+  66  21.76 +/- 1.54   0.000% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  66  21.68 +/- 1.40   0.000% *  0.0126% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 738 (1.51, 1.82, 33.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 113.1:
    * O T QD    LYS+  66 - QB    LYS+  66   2.29 +/- 0.15  99.409% * 98.1588% (1.00  10.0 10.00   4.31 113.08) =  99.996%  kept
        T HG2   LYS+  65 - QB    LYS+  66   6.29 +/- 0.72   0.418% *  0.7128% (0.73   1.0 10.00   0.02  25.34) =   0.003%
        T HD2   LYS+ 121 - QB    LYS+  66  10.34 +/- 3.13   0.120% *  0.7860% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QB    LYS+  66   9.84 +/- 2.84   0.037% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  66  13.15 +/- 2.28   0.009% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  66  13.45 +/- 1.55   0.003% *  0.0516% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QB    LYS+  66  14.03 +/- 0.99   0.002% *  0.0368% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  66  15.62 +/- 0.63   0.001% *  0.0635% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  66  15.95 +/- 1.49   0.001% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 739 (2.87, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.73, residual support = 113.1:
    *   T QE    LYS+  66 - QB    LYS+  66   3.07 +/- 0.56  99.826% * 99.6609% (1.00 10.00   3.73 113.08) = 100.000%  kept
          HB2   ASN   69 - QB    LYS+  66   9.76 +/- 0.99   0.170% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  66  20.15 +/- 1.00   0.002% *  0.2219% (0.22 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QB    LYS+  66  20.47 +/- 0.76   0.002% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 746 (4.07, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 113.1:
    * O T HA    LYS+  66 - QG    LYS+  66   2.60 +/- 0.34  95.367% * 99.8680% (1.00  10.0 10.00   4.31 113.08) =  99.999%  kept
        T HA    LYS+  66 - HG    LEU   67   6.28 +/- 0.89   0.728% *  0.0769% (0.08   1.0 10.00   0.02  10.10) =   0.001%
          HA1   GLY   16 - QG    LYS+  66   8.36 +/- 1.71   0.313% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG    LEU   67   7.29 +/- 2.29   3.590% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  66  22.05 +/- 1.02   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QG    LYS+  66  25.79 +/- 1.25   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   67  18.83 +/- 1.41   0.001% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   67  26.55 +/- 1.43   0.000% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 747 (1.82, 1.44, 25.66 ppm):
    18 chemical-shift based assignments, quality = 0.997, support = 4.32, residual support = 112.5:
    * O T QB    LYS+  66 - QG    LYS+  66   2.05 +/- 0.01  92.960% * 84.8458% (1.00  10.0 10.00   4.31 113.08) =  99.287%  kept
          QB    LYS+  65 - QG    LYS+  66   3.92 +/- 0.93   4.252% * 13.2833% (0.57   1.0  1.00   5.53  25.34) =   0.711%  kept
        T QB    LYS+  66 - HG    LEU   67   5.26 +/- 1.32   2.264% *  0.0653% (0.08   1.0 10.00   0.02  10.10) =   0.002%
          HG    LEU  123 - QG    LYS+  66   7.15 +/- 2.61   0.442% *  0.0480% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QG    LYS+  66  15.40 +/- 0.85   0.001% *  0.8026% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QG    LYS+  66  16.81 +/- 1.46   0.000% *  0.5828% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   67   7.89 +/- 0.95   0.042% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG    LEU   67  12.62 +/- 1.54   0.002% *  0.0618% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG    LYS+  66  12.98 +/- 1.16   0.002% *  0.0446% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   67  12.14 +/- 4.15   0.019% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG    LEU   67   9.43 +/- 0.96   0.014% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    LYS+  66  16.08 +/- 1.83   0.001% *  0.0761% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG    LEU   67  15.78 +/- 2.54   0.001% *  0.0449% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    LYS+  66  17.56 +/- 1.71   0.000% *  0.0709% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG    LYS+  66  18.38 +/- 1.55   0.000% *  0.0480% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   67  16.51 +/- 2.77   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   67  19.25 +/- 2.44   0.000% *  0.0059% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   67  22.66 +/- 2.17   0.000% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 113.1:
    * O T QD    LYS+  66 - QG    LYS+  66   2.09 +/- 0.03  97.475% * 98.6006% (1.00  10.0 10.00   4.00 113.08) =  99.991%  kept
        T HD2   LYS+ 121 - QG    LYS+  66  10.40 +/- 2.97   0.909% *  0.7895% (0.80   1.0 10.00   0.02   0.02) =   0.007%
          HG2   LYS+  65 - QG    LYS+  66   6.02 +/- 1.30   1.333% *  0.0716% (0.73   1.0  1.00   0.02  25.34) =   0.001%
        T QD    LYS+  66 - HG    LEU   67   6.87 +/- 1.19   0.174% *  0.0759% (0.08   1.0 10.00   0.02  10.10) =   0.000%
          HB3   LYS+ 121 - QG    LYS+  66  10.17 +/- 2.76   0.029% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG    LEU   67  13.35 +/- 5.36   0.030% *  0.0608% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QG    LYS+  66  14.15 +/- 2.23   0.003% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG    LEU   67   9.24 +/- 1.06   0.019% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HG    LEU   67  12.23 +/- 5.00   0.016% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG    LYS+  66  14.01 +/- 1.77   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG    LEU   67  14.25 +/- 1.66   0.001% *  0.0285% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG    LYS+  66  15.72 +/- 1.43   0.001% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QG    LYS+  66  14.81 +/- 1.26   0.001% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG    LEU   67  12.89 +/- 3.57   0.006% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG    LYS+  66  16.52 +/- 0.80   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG    LEU   67  14.56 +/- 1.59   0.001% *  0.0049% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG    LEU   67  14.57 +/- 1.67   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG    LEU   67  20.37 +/- 2.78   0.000% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 751 (2.87, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.42, residual support = 113.1:
    * O T QE    LYS+  66 - QG    LYS+  66   2.11 +/- 0.09  99.852% * 99.5585% (1.00  10.0 10.00   3.42 113.08) = 100.000%  kept
        T QE    LYS+  66 - HG    LEU   67   7.95 +/- 1.51   0.081% *  0.0766% (0.08   1.0 10.00   0.02  10.10) =   0.000%
          HB2   ASN   69 - QG    LYS+  66  11.02 +/- 1.17   0.006% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG    LEU   67   7.76 +/- 1.13   0.060% *  0.0024% (0.02   1.0  1.00   0.02   2.96) =   0.000%
        T HB2   ASP-  76 - QG    LYS+  66  20.75 +/- 1.23   0.000% *  0.2217% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QG    LYS+  66  21.78 +/- 0.88   0.000% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG    LEU   67  21.35 +/- 1.28   0.000% *  0.0171% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HG    LEU   67  18.69 +/- 1.19   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 752 (4.07, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 113.1:
    *   T HA    LYS+  66 - QD    LYS+  66   2.38 +/- 0.38  99.869% * 99.8184% (1.00 10.00   4.31 113.08) = 100.000%  kept
        T HA    LYS+  66 - HD2   LYS+ 121  13.83 +/- 3.42   0.017% *  0.1241% (0.12 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QD    LYS+  66   8.58 +/- 1.75   0.112% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  66  22.60 +/- 1.06   0.000% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HD2   LYS+ 121  18.84 +/- 3.39   0.001% *  0.0017% (0.02  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD    LYS+  66  26.99 +/- 1.49   0.000% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   LYS+ 121  25.60 +/- 2.98   0.000% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   LYS+ 121  28.58 +/- 1.64   0.000% *  0.0019% (0.02  1.00   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 753 (1.82, 1.51, 29.56 ppm):
    18 chemical-shift based assignments, quality = 0.985, support = 4.34, residual support = 110.0:
    * O T QB    LYS+  66 - QD    LYS+  66   2.29 +/- 0.15  93.426% * 63.5425% (1.00  10.0 10.00   4.31 113.08) =  96.535%  kept
        T QB    LYS+  65 - QD    LYS+  66   4.30 +/- 0.99   5.922% * 35.9749% (0.57   1.0 10.00   5.32  25.34) =   3.464%  kept
          HG    LEU  123 - QD    LYS+  66   7.41 +/- 2.75   0.452% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HD2   LYS+ 121  10.34 +/- 3.13   0.118% *  0.0790% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   LYS+ 121   8.14 +/- 0.96   0.061% *  0.0045% (0.07   1.0  1.00   0.02   2.32) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 121  13.87 +/- 2.06   0.004% *  0.0447% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  66  13.82 +/- 1.04   0.002% *  0.0334% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD    LYS+  66  16.38 +/- 0.88   0.001% *  0.0601% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD    LYS+  66  17.24 +/- 2.10   0.001% *  0.0570% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD    LYS+  66  17.59 +/- 1.56   0.001% *  0.0436% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   LYS+ 121  13.39 +/- 2.26   0.004% *  0.0054% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  66  18.66 +/- 1.77   0.000% *  0.0531% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 121  14.16 +/- 1.96   0.003% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   LYS+ 121  15.86 +/- 2.42   0.001% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  66  19.47 +/- 1.58   0.000% *  0.0360% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD2   LYS+ 121  16.62 +/- 2.09   0.001% *  0.0071% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 121  16.87 +/- 3.11   0.001% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 121  19.59 +/- 2.26   0.000% *  0.0045% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 755 (1.44, 1.51, 29.56 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 113.1:
    * O T QG    LYS+  66 - QD    LYS+  66   2.09 +/- 0.03  98.677% * 98.6304% (1.00  10.0 10.00   4.00 113.08) =  99.998%  kept
        T QG    LYS+  66 - HD2   LYS+ 121  10.40 +/- 2.97   0.911% *  0.1226% (0.12   1.0 10.00   0.02   0.02) =   0.001%
        T HG    LEU   67 - QD    LYS+  66   6.87 +/- 1.19   0.179% *  0.3702% (0.38   1.0 10.00   0.02  10.10) =   0.001%
          HB3   LEU   67 - QD    LYS+  66   7.00 +/- 0.75   0.100% *  0.0933% (0.95   1.0  1.00   0.02  10.10) =   0.000%
          QB    ALA   61 - QD    LYS+  66   7.62 +/- 0.93   0.062% *  0.0824% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HD2   LYS+ 121  13.35 +/- 5.36   0.030% *  0.0460% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HD2   LYS+ 121  10.04 +/- 1.14   0.010% *  0.0597% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HD2   LYS+ 121  12.05 +/- 2.87   0.007% *  0.0597% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  66  12.23 +/- 1.20   0.003% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  66  12.33 +/- 1.27   0.003% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 121  14.13 +/- 4.55   0.010% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  66  15.60 +/- 0.90   0.001% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  66  15.43 +/- 1.67   0.001% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  66  14.89 +/- 1.35   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 121  13.75 +/- 1.22   0.001% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HD2   LYS+ 121  13.58 +/- 1.66   0.002% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    LYS+  66  20.36 +/- 2.25   0.000% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   LYS+ 121  15.78 +/- 3.22   0.001% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 121  18.38 +/- 2.35   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  66  23.76 +/- 1.34   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  66  23.65 +/- 1.16   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 121  22.06 +/- 2.87   0.000% *  0.0065% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 121  26.18 +/- 2.83   0.000% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   LYS+ 121  25.87 +/- 2.35   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 756 (1.51, 1.51, 29.56 ppm):
    2 diagonal assignments:
    *     QD    LYS+  66 - QD    LYS+  66  (1.00)  kept
          HD2   LYS+ 121 - HD2   LYS+ 121  (0.10)  kept
 
    Peak 757 (2.87, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 113.1:
    * O T QE    LYS+  66 - QD    LYS+  66   2.09 +/- 0.03  98.700% * 99.4957% (1.00  10.0 10.00   3.31 113.08) =  99.998%  kept
        T QE    LYS+  66 - HD2   LYS+ 121  10.55 +/- 3.11   1.293% *  0.1237% (0.12   1.0 10.00   0.02   0.02) =   0.002%
          HB2   ASN   69 - QD    LYS+  66  11.14 +/- 0.99   0.005% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  66  21.90 +/- 1.05   0.000% *  0.2215% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - QD    LYS+  66  22.51 +/- 0.80   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD2   LYS+ 121  17.19 +/- 3.60   0.001% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD2   LYS+ 121  25.44 +/- 1.46   0.000% *  0.0275% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD2   LYS+ 121  24.18 +/- 2.74   0.000% *  0.0107% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 758 (4.07, 2.87, 42.12 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 113.1:
    *   T HA    LYS+  66 - QE    LYS+  66   3.96 +/- 0.53  97.738% * 99.7309% (1.00 10.00   3.74 113.08) = 100.000%  kept
          HA1   GLY   16 - QE    LYS+  66  10.05 +/- 1.74   0.674% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASP-  76   8.30 +/- 0.98   1.573% *  0.0032% (0.03  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB2   ASP-  76  23.41 +/- 1.12   0.003% *  0.2073% (0.21 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  66  23.29 +/- 1.08   0.003% *  0.0222% (0.22  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   ASP-  76  20.20 +/- 1.10   0.007% *  0.0028% (0.03  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QE    LYS+  66  27.52 +/- 1.54   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ASP-  76  26.40 +/- 1.38   0.001% *  0.0046% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 759 (1.82, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 0.993, support = 3.75, residual support = 111.7:
    *   T QB    LYS+  66 - QE    LYS+  66   3.07 +/- 0.56  81.878% * 87.7836% (1.00 10.00   3.73 113.08) =  98.464%  kept
          QB    LYS+  65 - QE    LYS+  66   5.44 +/- 1.01   9.724% * 11.4909% (0.57  1.00   4.62  25.34) =   1.531%  kept
          HG    LEU  123 - QE    LYS+  66   6.50 +/- 2.70   7.836% *  0.0497% (0.57  1.00   0.02   0.02) =   0.005%
          HG2   PRO   93 - HB2   ASP-  76  13.56 +/- 3.04   0.432% *  0.0164% (0.19  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  16.78 +/- 3.53   0.086% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  66  14.58 +/- 1.36   0.012% *  0.0462% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  66  17.25 +/- 2.14   0.006% *  0.0787% (0.90  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  66  16.83 +/- 0.96   0.004% *  0.0830% (0.95  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HB2   ASP-  76  20.15 +/- 1.00   0.001% *  0.1825% (0.21 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  66  17.51 +/- 1.81   0.004% *  0.0603% (0.69  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  66  18.69 +/- 1.80   0.003% *  0.0733% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  66  19.31 +/- 1.77   0.002% *  0.0497% (0.57  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   ASP-  76  17.87 +/- 1.27   0.003% *  0.0173% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   ASP-  76  17.17 +/- 0.89   0.004% *  0.0096% (0.11  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   ASP-  76  18.51 +/- 1.59   0.003% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   ASP-  76  20.39 +/- 2.09   0.002% *  0.0152% (0.17  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   ASP-  76  23.10 +/- 1.80   0.001% *  0.0125% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  27.76 +/- 1.28   0.000% *  0.0103% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 5.22 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 = 3.42, residual support = 113.1:
    * O T QG    LYS+  66 - QE    LYS+  66   2.11 +/- 0.09  98.671% * 98.5716% (1.00  10.0 10.00   3.42 113.08) = 100.000%  kept
        T HG    LEU   67 - QE    LYS+  66   7.95 +/- 1.51   0.080% *  0.3700% (0.38   1.0 10.00   0.02  10.10) =   0.000%
          HG    LEU   80 - HB2   ASP-  76   6.67 +/- 1.67   0.530% *  0.0133% (0.13   1.0  1.00   0.02   2.92) =   0.000%
          HB3   LEU   67 - QE    LYS+  66   8.10 +/- 0.87   0.043% *  0.0932% (0.95   1.0  1.00   0.02  10.10) =   0.000%
          QB    ALA   61 - QE    LYS+  66   8.23 +/- 0.97   0.041% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   5.83 +/- 1.17   0.615% *  0.0036% (0.04   1.0  1.00   0.02   2.92) =   0.000%
          HB3   LEU  115 - QE    LYS+  66  11.98 +/- 1.54   0.004% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  66  12.55 +/- 1.21   0.003% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   ASP-  76  12.61 +/- 1.39   0.004% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  66  15.16 +/- 1.71   0.001% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  66  16.42 +/- 0.89   0.000% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   ASP-  76  15.55 +/- 3.24   0.003% *  0.0124% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  66  16.10 +/- 1.23   0.001% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   ASP-  76  13.75 +/- 1.86   0.002% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB2   ASP-  76  20.75 +/- 1.23   0.000% *  0.2049% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QE    LYS+  66  20.31 +/- 2.45   0.000% *  0.0855% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   ASP-  76  14.56 +/- 1.44   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB2   ASP-  76  21.35 +/- 1.28   0.000% *  0.0769% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  66  24.44 +/- 1.51   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB2   ASP-  76  19.20 +/- 1.90   0.000% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB2   ASP-  76  20.91 +/- 1.31   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HB2   ASP-  76  20.58 +/- 1.27   0.000% *  0.0100% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  66  24.31 +/- 1.50   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   ASP-  76  26.41 +/- 2.27   0.000% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 762 (1.51, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 113.1:
    * O T QD    LYS+  66 - QE    LYS+  66   2.09 +/- 0.03  96.421% * 98.3437% (1.00  10.0 10.00   3.31 113.08) =  99.988%  kept
        T HD2   LYS+ 121 - QE    LYS+  66  10.55 +/- 3.11   1.289% *  0.7875% (0.80   1.0 10.00   0.02   0.02) =   0.011%
          HG2   LYS+  65 - QE    LYS+  66   7.73 +/- 1.66   2.156% *  0.0714% (0.73   1.0  1.00   0.02  25.34) =   0.002%
          HB3   LYS+ 121 - QE    LYS+  66  10.50 +/- 2.75   0.023% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   ASP-  76   7.75 +/- 1.10   0.057% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   ASP-  76   8.17 +/- 1.25   0.040% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   ASP-  76  10.17 +/- 1.40   0.010% *  0.0132% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  66  15.00 +/- 2.42   0.001% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  66  16.20 +/- 1.64   0.001% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  66  15.91 +/- 1.60   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HB2   ASP-  76  21.90 +/- 1.05   0.000% *  0.2045% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  66  18.13 +/- 0.66   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  66  16.78 +/- 1.08   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HB2   ASP-  76  25.44 +/- 1.46   0.000% *  0.1637% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   ASP-  76  19.27 +/- 2.49   0.000% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   ASP-  76  21.72 +/- 2.99   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   ASP-  76  23.19 +/- 1.90   0.000% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB2   ASP-  76  24.78 +/- 1.47   0.000% *  0.0140% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (2.87, 2.87, 42.12 ppm):
    2 diagonal assignments:
    *     QE    LYS+  66 - QE    LYS+  66  (1.00)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.05)  kept
 
    Peak 764 (4.72, 4.72, 64.19 ppm):
    1 diagonal assignment:
    *     HA    PRO   68 - HA    PRO   68  (1.00)  kept
 
    Peak 765 (2.11, 4.72, 64.19 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 35.1:
    * O T HB2   PRO   68 - HA    PRO   68   2.65 +/- 0.17  99.996% * 98.6006% (0.84  10.0 10.00   2.00  35.14) = 100.000%  kept
        T HB    VAL   24 - HA    PRO   68  23.67 +/- 1.82   0.000% *  1.1778% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    PRO   68  15.90 +/- 1.39   0.002% *  0.1059% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   68  18.22 +/- 1.43   0.001% *  0.1157% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 766 (4.72, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 35.1:
    * O T HA    PRO   68 - HB2   PRO   68   2.65 +/- 0.17 100.000% * 99.1920% (0.84  10.0 10.00   2.00  35.14) = 100.000%  kept
        T HA    PRO   68 - HB    VAL   24  23.67 +/- 1.82   0.000% *  0.8080% (0.68   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 767 (2.11, 2.11, 31.99 ppm):
    2 diagonal assignments:
    *     HB2   PRO   68 - HB2   PRO   68  (0.70)  kept
          HB    VAL   24 - HB    VAL   24  (0.68)  kept
 
    Peak 768 (4.68, 4.68, 53.57 ppm):
    1 diagonal assignment:
    *     HA    ASN   69 - HA    ASN   69  (1.00)  kept
 
    Peak 769 (2.90, 4.68, 53.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 59.6:
    * O T HB2   ASN   69 - HA    ASN   69   2.55 +/- 0.17  99.874% * 99.7955% (1.00  10.0 10.00   3.31  59.57) = 100.000%  kept
          QE    LYS+  33 - HA    ASN   69  11.22 +/- 2.88   0.109% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HA    ASN   69  11.36 +/- 1.17   0.017% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   69  23.06 +/- 1.03   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   69  26.98 +/- 1.44   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (2.81, 4.68, 53.57 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 59.6:
    * O T HB3   ASN   69 - HA    ASN   69   2.54 +/- 0.21  99.945% * 99.7714% (1.00  10.0 10.00   3.00  59.57) = 100.000%  kept
          HB2   PHE   72 - HA    ASN   69   9.23 +/- 0.75   0.051% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASN   69  14.80 +/- 1.41   0.003% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HA    ASN   69  22.79 +/- 1.57   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (4.68, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 59.6:
    * O T HA    ASN   69 - HB2   ASN   69   2.55 +/- 0.17  99.997% * 99.8126% (1.00  10.0 10.00   3.31  59.57) = 100.000%  kept
          HA    VAL   43 - HB2   ASN   69  15.41 +/- 0.77   0.003% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - HB2   ASN   69  21.78 +/- 0.70   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.90, 2.90, 37.49 ppm):
    1 diagonal assignment:
    *     HB2   ASN   69 - HB2   ASN   69  (1.00)  kept
 
    Peak 773 (2.81, 2.90, 37.49 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 59.6:
    * O T HB3   ASN   69 - HB2   ASN   69   1.75 +/- 0.00  99.998% * 99.7714% (1.00  10.0 10.00   3.97  59.57) = 100.000%  kept
          HB2   PHE   72 - HB2   ASN   69  11.04 +/- 0.64   0.002% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASN   69  16.27 +/- 1.45   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   ASN   69  24.12 +/- 1.31   0.000% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 774 (4.68, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 59.6:
    * O T HA    ASN   69 - HB3   ASN   69   2.54 +/- 0.21  99.997% * 99.8126% (1.00  10.0 10.00   3.00  59.57) = 100.000%  kept
          HA    VAL   43 - HB3   ASN   69  16.03 +/- 1.00   0.002% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - HB3   ASN   69  22.28 +/- 0.86   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 775 (2.90, 2.81, 37.49 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 59.6:
    * O T HB2   ASN   69 - HB3   ASN   69   1.75 +/- 0.00  99.994% * 99.7955% (1.00  10.0 10.00   3.97  59.57) = 100.000%  kept
          QE    LYS+  66 - HB3   ASN   69  11.22 +/- 1.58   0.002% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   69  12.53 +/- 2.72   0.003% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   69  25.06 +/- 1.12   0.000% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   69  28.93 +/- 1.44   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (2.81, 2.81, 37.49 ppm):
    1 diagonal assignment:
    *     HB3   ASN   69 - HB3   ASN   69  (1.00)  kept
 
    Peak 777 (4.01, 4.01, 61.79 ppm):
    3 diagonal assignments:
    *     HA    VAL   70 - HA    VAL   70  (1.00)  kept
          HB2   SER   82 - HB2   SER   82  (0.29)  kept
          HA    SER   48 - HA    SER   48  (0.06)  kept
 
    Peak 778 (2.20, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 81.3:
    * O T HB    VAL   70 - HA    VAL   70   2.86 +/- 0.25  99.059% * 97.2460% (1.00  10.0 10.00   4.31  81.32) =  99.999%  kept
        T QG    GLN   17 - HA    VAL   70  10.62 +/- 1.14   0.055% *  0.9639% (0.99   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HB2   SER   82   9.62 +/- 1.16   0.101% *  0.0446% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    SER   48   8.99 +/- 3.25   0.584% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    VAL   70  11.85 +/- 0.78   0.024% *  0.0743% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    VAL   70  10.88 +/- 1.27   0.049% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    VAL   70  10.26 +/- 0.93   0.065% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HA    SER   48  18.19 +/- 2.75   0.003% *  0.2196% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   SER   82  11.00 +/- 1.42   0.047% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB2   SER   82  21.62 +/- 1.22   0.001% *  0.4671% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   SER   82  16.24 +/- 2.66   0.005% *  0.0360% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB2   SER   82  24.35 +/- 1.47   0.000% *  0.4712% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   70 - HA    SER   48  23.21 +/- 1.55   0.000% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    VAL   70  19.98 +/- 0.65   0.001% *  0.0920% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    SER   48  19.53 +/- 2.89   0.002% *  0.0210% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   48  17.91 +/- 1.80   0.002% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    VAL   70  20.87 +/- 0.64   0.001% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   SER   82  25.87 +/- 3.55   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   SER   82  26.68 +/- 2.46   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   48  30.91 +/- 2.70   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   48  31.94 +/- 1.94   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 779 (0.86, 4.01, 61.79 ppm):
    18 chemical-shift based assignments, quality = 0.997, support = 4.9, residual support = 79.7:
    * O T QG1   VAL   70 - HA    VAL   70   2.58 +/- 0.38  85.718% * 80.4334% (1.00  10.0 10.00   4.91  81.32) =  96.613%  kept
          QD1   LEU   71 - HA    VAL   70   4.90 +/- 1.19  14.092% * 17.1497% (0.92   1.0  1.00   4.62  33.06) =   3.387%  kept
        T QG1   VAL   18 - HA    VAL   70   9.77 +/- 0.98   0.040% *  0.7884% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HA    SER   48  12.00 +/- 2.30   0.021% *  0.1796% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    VAL   70   8.88 +/- 1.09   0.081% *  0.0455% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   70  11.56 +/- 2.46   0.021% *  0.0742% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HB2   SER   82  15.13 +/- 1.02   0.003% *  0.3821% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   70  11.61 +/- 1.40   0.019% *  0.0488% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HB2   SER   82  20.70 +/- 1.61   0.000% *  0.3898% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HA    SER   48  20.03 +/- 1.78   0.001% *  0.1832% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   SER   82  16.71 +/- 2.29   0.001% *  0.0360% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  123 - HA    SER   48  22.20 +/- 2.16   0.000% *  0.1692% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    SER   48  18.92 +/- 2.10   0.001% *  0.0169% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    SER   48  19.55 +/- 2.26   0.001% *  0.0104% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   SER   82  25.12 +/- 3.53   0.000% *  0.0236% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   SER   82  24.06 +/- 2.46   0.000% *  0.0221% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   SER   82  26.45 +/- 1.96   0.000% *  0.0360% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    SER   48  25.40 +/- 3.28   0.000% *  0.0111% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.03 A, kept.
 
    Peak 780 (0.19, 4.01, 61.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 81.3:
    * O T QG2   VAL   70 - HA    VAL   70   2.39 +/- 0.23  99.999% * 99.2926% (0.80  10.0 10.00   4.00  81.32) = 100.000%  kept
        T QG2   VAL   70 - HB2   SER   82  18.89 +/- 1.43   0.001% *  0.4812% (0.39   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   70 - HA    SER   48  18.65 +/- 1.19   0.001% *  0.2262% (0.18   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (4.01, 2.20, 34.17 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 81.3:
    * O T HA    VAL   70 - HB    VAL   70   2.86 +/- 0.25  88.468% * 98.3567% (1.00  10.0 10.00   4.31  81.32) =  99.999%  kept
          HA    VAL   18 - QG    GLN   17   4.96 +/- 0.71   4.623% *  0.0125% (0.13   1.0  1.00   0.02  50.10) =   0.001%
          HA1   GLY   16 - HB    VAL   70   8.08 +/- 2.10   1.142% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    GLN   17   4.70 +/- 0.39   5.456% *  0.0036% (0.04   1.0  1.00   0.02  16.49) =   0.000%
          HA    VAL   18 - HB    VAL   70   8.62 +/- 1.03   0.187% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - QG    GLN   17  10.62 +/- 1.14   0.047% *  0.1827% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB    VAL   70  10.68 +/- 1.31   0.044% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   70  14.45 +/- 1.17   0.006% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   70  15.27 +/- 1.54   0.005% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - HB    VAL   70  24.35 +/- 1.47   0.000% *  0.5966% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   70  17.79 +/- 0.85   0.002% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG    GLN   17  18.19 +/- 2.75   0.002% *  0.0456% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HB    VAL   70  23.21 +/- 1.55   0.000% *  0.2453% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    GLN   17  14.61 +/- 1.86   0.009% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    GLN   17  16.13 +/- 1.77   0.004% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG    GLN   17  21.62 +/- 1.22   0.001% *  0.1108% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    GLN   17  18.02 +/- 1.42   0.002% *  0.0183% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    GLN   17  17.20 +/- 1.52   0.002% *  0.0133% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 782 (2.20, 2.20, 34.17 ppm):
    2 diagonal assignments:
    *     HB    VAL   70 - HB    VAL   70  (1.00)  kept
          QG    GLN   17 - QG    GLN   17  (0.18)  kept
 
    Peak 783 (0.86, 2.20, 34.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 81.3:
    * O T QG1   VAL   70 - HB    VAL   70   2.13 +/- 0.01  98.987% * 99.3444% (1.00  10.0 10.00   5.31  81.32) =  99.999%  kept
          QD1   LEU   71 - HB    VAL   70   6.53 +/- 0.93   0.234% *  0.0917% (0.92   1.0  1.00   0.02  33.06) =   0.000%
          HB3   LEU   63 - HB    VAL   70   6.62 +/- 1.22   0.232% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG    GLN   17   5.53 +/- 0.65   0.427% *  0.0181% (0.18   1.0  1.00   0.02  50.10) =   0.000%
        T QG1   VAL   70 - QG    GLN   17   9.05 +/- 0.96   0.021% *  0.1845% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB    VAL   70   9.88 +/- 2.47   0.029% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL   70   9.06 +/- 1.18   0.023% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG    GLN   17   8.97 +/- 1.31   0.030% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   70  11.42 +/- 1.56   0.006% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG    GLN   17  10.68 +/- 1.13   0.008% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG    GLN   17  14.12 +/- 1.87   0.002% *  0.0170% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG    GLN   17  19.13 +/- 1.38   0.000% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 784 (0.19, 2.20, 34.17 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 81.3:
    * O T QG2   VAL   70 - HB    VAL   70   2.12 +/- 0.02  99.978% * 99.8146% (0.80  10.0 10.00   4.31  81.32) = 100.000%  kept
        T QG2   VAL   70 - QG    GLN   17   9.05 +/- 0.99   0.022% *  0.1854% (0.15   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 785 (4.01, 0.86, 24.07 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.91, residual support = 81.3:
    * O T HA    VAL   70 - QG1   VAL   70   2.58 +/- 0.38  98.924% * 98.1637% (1.00  10.0 10.00   4.91  81.32) =  99.997%  kept
        T HA    VAL   18 - QG1   VAL   70   8.08 +/- 1.20   0.464% *  0.6743% (0.69   1.0 10.00   0.02   0.02) =   0.003%
          HA1   GLY   16 - QG1   VAL   70   7.50 +/- 1.47   0.447% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG1   VAL   70   8.74 +/- 1.35   0.132% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   70  12.62 +/- 1.34   0.013% *  0.0982% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   70  12.06 +/- 0.88   0.014% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   70  20.70 +/- 1.61   0.001% *  0.5954% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   70  15.05 +/- 0.67   0.004% *  0.0713% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG1   VAL   70  20.03 +/- 1.78   0.001% *  0.2448% (0.25   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.04 A, kept.
 
    Peak 786 (2.20, 0.86, 24.07 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 81.3:
    * O T HB    VAL   70 - QG1   VAL   70   2.13 +/- 0.01  99.932% * 98.7774% (1.00  10.0 10.00   5.31  81.32) = 100.000%  kept
        T QG    GLN   17 - QG1   VAL   70   9.05 +/- 0.96   0.021% *  0.9790% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QG1   VAL   70   9.82 +/- 1.10   0.015% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG1   VAL   70   9.95 +/- 1.42   0.017% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG1   VAL   70   9.99 +/- 1.43   0.014% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG1   VAL   70  17.98 +/- 1.00   0.000% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG1   VAL   70  17.69 +/- 1.15   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 787 (0.86, 0.86, 24.07 ppm):
    1 diagonal assignment:
    *     QG1   VAL   70 - QG1   VAL   70  (1.00)  kept
 
    Peak 788 (0.19, 0.86, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.91, residual support = 81.3:
    * O T QG2   VAL   70 - QG1   VAL   70   2.07 +/- 0.04 100.000% *100.0000% (0.80  10.0 10.00   4.91  81.32) = 100.000%  kept
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (4.01, 0.19, 63.87 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 81.3:
    * O T HA    VAL   70 - QG2   VAL   70   2.39 +/- 0.23  99.498% * 98.7631% (0.80  10.0 10.00   4.00  81.32) = 100.000%  kept
          HA    VAL   18 - QG2   VAL   70   7.31 +/- 0.86   0.200% *  0.0678% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QG2   VAL   70   8.56 +/- 0.90   0.121% *  0.0481% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG2   VAL   70   8.25 +/- 1.47   0.156% *  0.0195% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   70  11.20 +/- 0.83   0.015% *  0.0857% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   70  12.62 +/- 1.27   0.006% *  0.0988% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG2   VAL   70  18.89 +/- 1.43   0.001% *  0.5990% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   70  13.67 +/- 0.66   0.004% *  0.0717% (0.58   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QG2   VAL   70  18.65 +/- 1.19   0.001% *  0.2463% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (2.20, 0.19, 63.87 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 81.3:
    * O T HB    VAL   70 - QG2   VAL   70   2.12 +/- 0.02  99.911% * 98.7774% (0.80  10.0 10.00   4.31  81.32) = 100.000%  kept
        T QG    GLN   17 - QG2   VAL   70   9.05 +/- 0.99   0.022% *  0.9790% (0.79   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QG2   VAL   70   8.09 +/- 0.68   0.037% *  0.0755% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   VAL   70   9.50 +/- 1.16   0.018% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG2   VAL   70   9.87 +/- 0.57   0.011% *  0.0195% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG2   VAL   70  16.43 +/- 0.71   0.000% *  0.0934% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   VAL   70  16.17 +/- 0.84   0.001% *  0.0246% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 791 (0.86, 0.19, 63.87 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.91, residual support = 81.3:
    * O T QG1   VAL   70 - QG2   VAL   70   2.07 +/- 0.04  98.202% * 99.6017% (0.80  10.0 10.00   4.91  81.32) =  99.999%  kept
          QD1   LEU   71 - QG2   VAL   70   4.75 +/- 0.60   1.037% *  0.0919% (0.74   1.0  1.00   0.02  33.06) =   0.001%
          HB3   LEU   63 - QG2   VAL   70   5.54 +/- 1.20   0.603% *  0.0564% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL   70   7.36 +/- 1.09   0.072% *  0.0976% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   70   8.60 +/- 1.93   0.044% *  0.0919% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG2   VAL   70   8.15 +/- 1.16   0.042% *  0.0604% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 792 (0.19, 0.19, 63.87 ppm):
    1 diagonal assignment:
    *     QG2   VAL   70 - QG2   VAL   70  (0.64)  kept
 
    Peak 793 (4.65, 4.65, 54.05 ppm):
    1 diagonal assignment:
    *     HA    LEU   71 - HA    LEU   71  (1.00)  kept
 
    Peak 794 (1.80, 4.65, 54.05 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 138.9:
    * O T HB2   LEU   71 - HA    LEU   71   2.94 +/- 0.17  99.414% * 99.5520% (1.00  10.0 10.00   5.31 138.88) = 100.000%  kept
          HB    VAL   41 - HA    LEU   71   8.18 +/- 1.14   0.326% *  0.0340% (0.34   1.0  1.00   0.02   4.38) =   0.000%
          HB3   GLN   17 - HA    LEU   71   9.95 +/- 1.59   0.151% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LEU   71  11.24 +/- 0.60   0.036% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LEU   71  10.35 +/- 0.75   0.058% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   71  14.72 +/- 1.22   0.007% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   71  14.38 +/- 1.29   0.008% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   71  19.24 +/- 1.15   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (1.20, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 138.9:
    * O T HB3   LEU   71 - HA    LEU   71   2.60 +/- 0.16  99.993% * 99.6783% (1.00  10.0 10.00   4.31 138.88) = 100.000%  kept
          QG2   THR   94 - HA    LEU   71  13.57 +/- 0.93   0.005% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    LEU   71  22.71 +/- 2.87   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LEU   71  20.16 +/- 1.93   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    LEU   71  23.24 +/- 1.92   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LEU   71  24.41 +/- 2.07   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (0.86, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.05, residual support = 135.8:
    *   T QD1   LEU   71 - HA    LEU   71   3.19 +/- 0.71  86.060% * 81.8277% (1.00 10.00   4.03 138.88) =  97.068%  kept
          QG1   VAL   70 - HA    LEU   71   5.10 +/- 0.78  11.858% * 17.9258% (0.92  1.00   4.75  33.06) =   2.930%  kept
          QG1   VAL   18 - HA    LEU   71   7.05 +/- 0.84   1.476% *  0.0683% (0.84  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    LEU   71   9.49 +/- 1.57   0.540% *  0.0279% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU   71  14.03 +/- 1.46   0.038% *  0.0683% (0.84  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    LEU   71  13.69 +/- 2.24   0.028% *  0.0818% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 797 (0.96, 4.65, 54.05 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 138.9:
    *   T QD2   LEU   71 - HA    LEU   71   2.12 +/- 0.31  97.694% * 99.6055% (1.00 10.00   5.00 138.88) =  99.999%  kept
          QD1   LEU   67 - HA    LEU   71   6.49 +/- 1.57   1.556% *  0.0447% (0.45  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HA    LEU   71   6.92 +/- 1.00   0.726% *  0.0409% (0.41  1.00   0.02   1.77) =   0.000%
          QG2   ILE  119 - HA    LEU   71  13.34 +/- 1.81   0.009% *  0.0864% (0.87  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    LEU   71  13.40 +/- 0.94   0.004% *  0.0976% (0.98  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    LEU   71  13.03 +/- 0.96   0.007% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    LEU   71  12.21 +/- 0.71   0.004% *  0.0684% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 5.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 798 (4.65, 1.80, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 138.9:
    * O T HA    LEU   71 - HB2   LEU   71   2.94 +/- 0.17  99.524% * 99.9402% (1.00  10.0 10.00   5.31 138.88) = 100.000%  kept
          HA    VAL   43 - HB2   LEU   71   7.48 +/- 0.53   0.432% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB2   LEU   71  10.86 +/- 0.68   0.044% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 799 (1.80, 1.80, 44.15 ppm):
    1 diagonal assignment:
    *     HB2   LEU   71 - HB2   LEU   71  (1.00)  kept
 
    Peak 800 (1.20, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 138.9:
    * O T HB3   LEU   71 - HB2   LEU   71   1.75 +/- 0.00  99.999% * 99.6783% (1.00  10.0 10.00   4.97 138.88) = 100.000%  kept
          QG2   THR   94 - HB2   LEU   71  12.54 +/- 0.97   0.001% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LEU   71  18.80 +/- 2.04   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB2   LEU   71  23.12 +/- 2.72   0.000% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB2   LEU   71  23.55 +/- 1.93   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LEU   71  24.04 +/- 2.16   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 801 (0.86, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 138.9:
    * O T QD1   LEU   71 - HB2   LEU   71   2.38 +/- 0.15  99.087% * 99.6081% (1.00  10.0 10.00   4.97 138.88) =  99.999%  kept
          QG1   VAL   70 - HB2   LEU   71   5.76 +/- 0.67   0.761% *  0.0919% (0.92   1.0  1.00   0.02  33.06) =   0.001%
          QG1   VAL   18 - HB2   LEU   71   8.16 +/- 0.98   0.096% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU   71  10.39 +/- 1.75   0.041% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU   71  12.59 +/- 1.65   0.010% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   71  14.20 +/- 2.52   0.005% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 802 (0.96, 1.80, 44.15 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 138.9:
    * O T QD2   LEU   71 - HB2   LEU   71   3.19 +/- 0.03  91.551% * 99.6055% (1.00  10.0 10.00   5.44 138.88) =  99.996%  kept
          QD2   LEU   40 - HB2   LEU   71   5.61 +/- 1.09   7.561% *  0.0409% (0.41   1.0  1.00   0.02   1.77) =   0.003%
          QD1   LEU   67 - HB2   LEU   71   7.69 +/- 1.07   0.742% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LEU   71  11.48 +/- 0.86   0.046% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   71  11.38 +/- 1.02   0.050% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LEU   71  13.92 +/- 2.14   0.025% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   71  12.89 +/- 0.80   0.024% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 803 (4.65, 1.20, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 138.9:
    * O T HA    LEU   71 - HB3   LEU   71   2.60 +/- 0.16  99.855% * 99.9402% (1.00  10.0 10.00   4.31 138.88) = 100.000%  kept
          HA    VAL   43 - HB3   LEU   71   8.25 +/- 1.01   0.122% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB3   LEU   71  10.72 +/- 1.17   0.023% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 804 (1.80, 1.20, 44.15 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 138.9:
    * O T HB2   LEU   71 - HB3   LEU   71   1.75 +/- 0.00  99.926% * 99.3538% (1.00  10.0 10.00   4.97 138.88) = 100.000%  kept
          HB    VAL   41 - HB3   LEU   71   6.70 +/- 1.23   0.068% *  0.0339% (0.34   1.0  1.00   0.02   4.38) =   0.000%
        T HG12  ILE  103 - HB3   LEU   71  13.13 +/- 1.21   0.001% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   LEU   71  11.74 +/- 1.25   0.003% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   LEU   71  11.93 +/- 1.63   0.002% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB3   LEU   71  12.98 +/- 0.94   0.001% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   LEU   71  13.51 +/- 1.34   0.001% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   LEU   71  19.66 +/- 1.56   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 805 (1.20, 1.20, 44.15 ppm):
    1 diagonal assignment:
    *     HB3   LEU   71 - HB3   LEU   71  (1.00)  kept
 
    Peak 806 (0.86, 1.20, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.71, residual support = 138.9:
    * O T QD1   LEU   71 - HB3   LEU   71   2.78 +/- 0.42  97.509% * 99.6081% (1.00  10.0 10.00   3.71 138.88) =  99.998%  kept
          QG1   VAL   70 - HB3   LEU   71   5.85 +/- 0.65   2.041% *  0.0919% (0.92   1.0  1.00   0.02  33.06) =   0.002%
          QG1   VAL   18 - HB3   LEU   71   8.10 +/- 1.16   0.299% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB3   LEU   71  10.75 +/- 2.04   0.126% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU   71  13.55 +/- 1.69   0.014% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB3   LEU   71  14.52 +/- 2.56   0.011% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 807 (0.96, 1.20, 44.15 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 138.9:
    * O T QD2   LEU   71 - HB3   LEU   71   2.39 +/- 0.14  99.153% * 99.6055% (1.00  10.0 10.00   4.44 138.88) = 100.000%  kept
          QD2   LEU   40 - HB3   LEU   71   6.41 +/- 1.18   0.672% *  0.0409% (0.41   1.0  1.00   0.02   1.77) =   0.000%
          QD1   LEU   67 - HB3   LEU   71   7.67 +/- 1.24   0.144% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB3   LEU   71  14.27 +/- 2.30   0.013% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB3   LEU   71  12.38 +/- 0.96   0.006% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB3   LEU   71  12.27 +/- 1.04   0.008% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LEU   71  13.04 +/- 0.94   0.004% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 808 (4.65, 0.86, 26.50 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.03, residual support = 138.9:
    *   T HA    LEU   71 - QD1   LEU   71   3.19 +/- 0.71  98.849% * 99.9402% (1.00 10.00   4.03 138.88) = 100.000%  kept
          HA    VAL   43 - QD1   LEU   71   7.64 +/- 1.04   0.915% *  0.0223% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD1   LEU   71   9.32 +/- 1.60   0.235% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 809 (1.80, 0.86, 26.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 138.9:
    * O T HB2   LEU   71 - QD1   LEU   71   2.38 +/- 0.15  98.071% * 99.5520% (1.00  10.0 10.00   4.97 138.88) =  99.999%  kept
          HB    VAL   41 - QD1   LEU   71   6.04 +/- 1.28   1.397% *  0.0340% (0.34   1.0  1.00   0.02   4.38) =   0.000%
          QB    LYS+  66 - QD1   LEU   71  10.46 +/- 1.92   0.410% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD1   LEU   71  10.41 +/- 1.94   0.084% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD1   LEU   71  11.48 +/- 1.46   0.020% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD1   LEU   71  11.58 +/- 1.36   0.009% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU   71  11.49 +/- 1.05   0.009% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD1   LEU   71  17.29 +/- 1.23   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.02 A, kept.
 
    Peak 810 (1.20, 0.86, 26.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.71, residual support = 138.9:
    * O T HB3   LEU   71 - QD1   LEU   71   2.78 +/- 0.42  99.965% * 99.6783% (1.00  10.0 10.00   3.71 138.88) = 100.000%  kept
          QG2   THR   94 - QD1   LEU   71  11.77 +/- 1.03   0.027% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   LEU   71  16.82 +/- 2.09   0.005% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   LEU   71  20.62 +/- 2.79   0.002% *  0.0988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD1   LEU   71  21.05 +/- 2.36   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   LEU   71  21.61 +/- 2.19   0.001% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.05 A, kept.
 
    Peak 811 (0.86, 0.86, 26.50 ppm):
    1 diagonal assignment:
    *     QD1   LEU   71 - QD1   LEU   71  (1.00)  kept
 
    Peak 812 (0.96, 0.86, 26.50 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 138.9:
    * O T QD2   LEU   71 - QD1   LEU   71   2.07 +/- 0.05  99.331% * 99.6055% (1.00  10.0 10.00   4.15 138.88) = 100.000%  kept
          QD2   LEU   40 - QD1   LEU   71   5.84 +/- 0.97   0.380% *  0.0409% (0.41   1.0  1.00   0.02   1.77) =   0.000%
          QD1   LEU   67 - QD1   LEU   71   7.15 +/- 1.36   0.233% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD1   LEU   71  12.65 +/- 2.47   0.039% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD1   LEU   71  10.74 +/- 0.76   0.005% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   LEU   71  11.56 +/- 1.47   0.005% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   LEU   71  10.80 +/- 1.00   0.006% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 813 (4.65, 0.96, 23.45 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 138.9:
    *   T HA    LEU   71 - QD2   LEU   71   2.12 +/- 0.31  99.930% * 99.9402% (1.00 10.00   5.00 138.88) = 100.000%  kept
          HA    VAL   43 - QD2   LEU   71   8.63 +/- 0.62   0.049% *  0.0223% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD2   LEU   71   9.09 +/- 0.58   0.021% *  0.0375% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 138.9:
    * O T HB2   LEU   71 - QD2   LEU   71   3.19 +/- 0.03  96.650% * 99.3538% (1.00  10.0 10.00   5.44 138.88) =  99.998%  kept
          HB3   GLN   17 - QD2   LEU   71   9.09 +/- 1.69   1.326% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD2   LEU   71  10.01 +/- 1.45   0.997% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   41 - QD2   LEU   71   7.52 +/- 1.05   0.849% *  0.0339% (0.34   1.0  1.00   0.02   4.38) =   0.000%
          QB    LYS+  65 - QD2   LEU   71  10.71 +/- 1.17   0.124% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE  103 - QD2   LEU   71  12.98 +/- 0.96   0.023% *  0.2212% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD2   LEU   71  12.78 +/- 1.12   0.028% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU   71  17.89 +/- 1.07   0.003% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 815 (1.20, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 138.9:
    * O T HB3   LEU   71 - QD2   LEU   71   2.39 +/- 0.14  99.993% * 99.2790% (1.00  10.0 10.00   4.44 138.88) = 100.000%  kept
          QG2   THR   94 - QD2   LEU   71  12.73 +/- 0.82   0.006% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD2   LEU   71  22.31 +/- 1.98   0.000% *  0.4451% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD2   LEU   71  20.94 +/- 2.51   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD2   LEU   71  17.94 +/- 1.85   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD2   LEU   71  21.37 +/- 2.00   0.000% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 816 (0.86, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 138.9:
    * O T QD1   LEU   71 - QD2   LEU   71   2.07 +/- 0.05  99.326% * 99.6081% (1.00  10.0 10.00   4.15 138.88) = 100.000%  kept
          QG1   VAL   70 - QD2   LEU   71   5.43 +/- 0.50   0.362% *  0.0919% (0.92   1.0  1.00   0.02  33.06) =   0.000%
          HB3   LEU   63 - QD2   LEU   71   9.85 +/- 1.76   0.224% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD2   LEU   71   6.98 +/- 0.65   0.082% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU   71  12.78 +/- 2.14   0.004% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU   71  12.97 +/- 1.27   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 817 (0.96, 0.96, 23.45 ppm):
    1 diagonal assignment:
    *     QD2   LEU   71 - QD2   LEU   71  (1.00)  kept
 
    Peak 818 (5.27, 5.27, 56.60 ppm):
    1 diagonal assignment:
    *     HA    PHE   72 - HA    PHE   72  (0.58)  kept
 
    Peak 819 (2.83, 5.27, 56.60 ppm):
    3 chemical-shift based assignments, quality = 0.638, support = 4.07, residual support = 90.9:
    * O T HB2   PHE   72 - HA    PHE   72   3.01 +/- 0.12  98.441% * 99.8683% (0.64  10.0 10.00   4.07  90.94) =  99.999%  kept
          HA    ALA   64 - HA    PHE   72   6.22 +/- 0.67   1.527% *  0.0868% (0.55   1.0  1.00   0.02  36.83) =   0.001%
          HB3   ASN   69 - HA    PHE   72  11.61 +/- 0.46   0.032% *  0.0449% (0.29   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 820 (2.28, 5.27, 56.60 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 4.61, residual support = 90.9:
    * O T HB3   PHE   72 - HA    PHE   72   2.61 +/- 0.19  98.426% * 99.4196% (0.66  10.0 10.00   4.61  90.94) =  99.998%  kept
          HB2   ASP-  44 - HA    PHE   72   6.19 +/- 1.12   1.458% *  0.1084% (0.72   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  15 - HA    PHE   72   9.50 +/- 1.53   0.079% *  0.1136% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    PHE   72  11.24 +/- 1.33   0.021% *  0.1058% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    PHE   72  13.01 +/- 1.29   0.008% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    PHE   72  18.67 +/- 2.25   0.001% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    PHE   72  13.60 +/- 0.82   0.006% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    PHE   72  18.48 +/- 1.50   0.001% *  0.0918% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 821 (5.27, 2.83, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.638, support = 4.07, residual support = 90.9:
    * O T HA    PHE   72 - HB2   PHE   72   3.01 +/- 0.12 100.000% *100.0000% (0.64  10.0 10.00   4.07  90.94) = 100.000%  kept
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (2.83, 2.83, 40.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   72 - HB2   PHE   72  (0.70)  kept
 
    Peak 823 (2.28, 2.83, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.725, support = 4.22, residual support = 90.9:
    * O T HB3   PHE   72 - HB2   PHE   72   1.75 +/- 0.00  99.916% * 99.4196% (0.72  10.0 10.00   4.22  90.94) = 100.000%  kept
          HB2   ASP-  44 - HB2   PHE   72   7.29 +/- 1.19   0.043% *  0.1084% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   PHE   72   7.83 +/- 1.52   0.032% *  0.1136% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   PHE   72   9.15 +/- 1.26   0.008% *  0.1058% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   PHE   72  13.79 +/- 1.04   0.000% *  0.0514% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB2   PHE   72  17.02 +/- 2.10   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   PHE   72  14.20 +/- 1.01   0.000% *  0.0177% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   PHE   72  19.74 +/- 1.64   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 824 (5.27, 2.28, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 4.61, residual support = 90.9:
    * O T HA    PHE   72 - HB3   PHE   72   2.61 +/- 0.19 100.000% *100.0000% (0.66  10.0 10.00   4.61  90.94) = 100.000%  kept
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 825 (2.83, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.725, support = 4.22, residual support = 90.9:
    * O T HB2   PHE   72 - HB3   PHE   72   1.75 +/- 0.00  99.697% * 99.8683% (0.72  10.0 10.00   4.22  90.94) = 100.000%  kept
          HA    ALA   64 - HB3   PHE   72   4.95 +/- 0.83   0.302% *  0.0868% (0.63   1.0  1.00   0.02  36.83) =   0.000%
          HB3   ASN   69 - HB3   PHE   72  11.93 +/- 0.68   0.001% *  0.0449% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 172.7:
    * O T HB2   LEU   73 - HA    LEU   73   2.48 +/- 0.26  99.982% * 99.4108% (1.00  10.0 10.00   5.00 172.74) = 100.000%  kept
          QD    LYS+  99 - HA    LEU   73  15.07 +/- 0.88   0.003% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    LEU   73  13.26 +/- 1.58   0.006% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LEU   73  15.81 +/- 0.77   0.002% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU   73  15.39 +/- 1.40   0.002% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU   73  17.22 +/- 0.81   0.001% *  0.0959% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LEU   73  15.53 +/- 0.85   0.002% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU   73  18.21 +/- 1.40   0.001% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU   73  22.95 +/- 2.33   0.000% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LEU   73  20.82 +/- 2.24   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 829 (1.38, 5.57, 52.40 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 5.13, residual support = 172.7:
    * O T HB3   LEU   73 - HA    LEU   73   2.83 +/- 0.26  93.347% * 99.1728% (1.00  10.0 10.00   5.13 172.74) =  99.998%  kept
          HB    VAL   42 - HA    LEU   73   6.53 +/- 0.75   1.015% *  0.0983% (0.99   1.0  1.00   0.02   1.68) =   0.001%
          HB3   LYS+  74 - HA    LEU   73   4.74 +/- 0.45   5.500% *  0.0174% (0.18   1.0  1.00   0.02  42.16) =   0.001%
          HG3   LYS+  33 - HA    LEU   73  11.30 +/- 0.91   0.030% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   73  13.75 +/- 2.89   0.019% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LEU   73  11.18 +/- 0.98   0.032% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   73  13.77 +/- 1.61   0.010% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   73  12.01 +/- 1.07   0.018% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   73  13.39 +/- 1.32   0.011% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   73  13.25 +/- 0.62   0.010% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   73  16.20 +/- 0.82   0.003% *  0.0915% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LEU   73  19.54 +/- 1.22   0.001% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LEU   73  21.97 +/- 2.47   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   73  18.96 +/- 2.68   0.002% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LEU   73  20.04 +/- 2.39   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 830 (0.58, 5.57, 52.40 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 172.7:
    *   T QD1   LEU   73 - HA    LEU   73   3.82 +/- 0.14  96.258% * 98.2281% (1.00 10.00   5.00 172.74) =  99.990%  kept
        T QD1   LEU   63 - HA    LEU   73   9.30 +/- 1.24   0.704% *  0.9823% (1.00 10.00   0.02   0.02) =   0.007%
          QD2   LEU   80 - HA    LEU   73   8.10 +/- 2.04   1.832% *  0.0787% (0.80  1.00   0.02   0.02) =   0.002%
        T QD1   LEU  104 - HA    LEU   73  13.24 +/- 1.41   0.084% *  0.5561% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   73  10.09 +/- 1.17   0.423% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   73   9.09 +/- 0.98   0.668% *  0.0172% (0.18  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU   73  14.84 +/- 1.04   0.033% *  0.0820% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.04 A, kept.
 
    Peak 831 (0.78, 5.57, 52.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 172.7:
    *   T QD2   LEU   73 - HA    LEU   73   2.24 +/- 0.49  99.591% * 99.4036% (1.00 10.00   6.21 172.74) = 100.000%  kept
          QG1   VAL   43 - HA    LEU   73   6.35 +/- 0.92   0.305% *  0.0276% (0.28  1.00   0.02   8.20) =   0.000%
          HG    LEU   31 - HA    LEU   73   9.38 +/- 0.84   0.041% *  0.0959% (0.97  1.00   0.02   3.33) =   0.000%
          QG1   VAL   41 - HA    LEU   73   8.92 +/- 1.14   0.057% *  0.0446% (0.45  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LEU   73  13.33 +/- 1.76   0.006% *  0.0891% (0.90  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LEU   73  19.75 +/- 2.23   0.000% *  0.3391% (0.34 10.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.07 A, kept.
 
    Peak 832 (5.57, 1.70, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 172.7:
    * O T HA    LEU   73 - HB2   LEU   73   2.48 +/- 0.26 100.000% *100.0000% (1.00  10.0 10.00   5.00 172.74) = 100.000%  kept
    Distance limit 4.12 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 = 5.13, residual support = 172.7:
    * O T HB3   LEU   73 - HB2   LEU   73   1.75 +/- 0.00  99.856% * 95.5463% (1.00  10.0 10.00   5.13 172.74) = 100.000%  kept
          HB    VAL   42 - HB2   LEU   73   6.69 +/- 0.95   0.054% *  0.0947% (0.99   1.0  1.00   0.02   1.68) =   0.000%
        T HG3   LYS+  33 - HB2   LEU   73  10.76 +/- 1.15   0.002% *  0.9221% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   LEU   73   5.93 +/- 0.52   0.077% *  0.0167% (0.18   1.0  1.00   0.02  42.16) =   0.000%
        T HG3   LYS+ 106 - HB2   LEU   73  15.35 +/- 1.28   0.000% *  0.8820% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   93 - HB2   LEU   73  13.58 +/- 1.57   0.001% *  0.3586% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB2   LEU   73  15.74 +/- 1.39   0.000% *  0.9470% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   LEU   73  10.02 +/- 1.39   0.005% *  0.0359% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   LEU   73  18.20 +/- 1.55   0.000% *  0.9533% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LEU   73  10.75 +/- 1.40   0.003% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   LEU   73  14.88 +/- 2.80   0.001% *  0.0618% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LEU   73  12.28 +/- 0.84   0.001% *  0.0326% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   LEU   73  22.60 +/- 2.52   0.000% *  0.0937% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LEU   73  19.66 +/- 2.89   0.000% *  0.0167% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   LEU   73  20.09 +/- 2.66   0.000% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 835 (0.58, 1.70, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 172.7:
    * O T QD1   LEU   73 - HB2   LEU   73   2.28 +/- 0.17  99.551% * 98.2281% (1.00  10.0 10.00   5.00 172.74) =  99.999%  kept
        T QD1   LEU   63 - HB2   LEU   73   9.96 +/- 1.69   0.072% *  0.9823% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   80 - HB2   LEU   73   7.20 +/- 2.32   0.207% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB2   LEU   73  12.77 +/- 1.88   0.007% *  0.5561% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   73  10.80 +/- 1.71   0.054% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   73   7.70 +/- 1.16   0.107% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU   73  15.48 +/- 1.36   0.002% *  0.0820% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 836 (0.78, 1.70, 46.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 172.7:
    * O T QD2   LEU   73 - HB2   LEU   73   2.71 +/- 0.29  93.240% * 98.6124% (1.00  10.0 10.00   6.21 172.74) =  99.998%  kept
          QG1   VAL   43 - HB2   LEU   73   5.09 +/- 1.25   5.629% *  0.0274% (0.28   1.0  1.00   0.02   8.20) =   0.002%
          QG1   VAL   41 - HB2   LEU   73   8.02 +/- 1.28   0.790% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB2   LEU   73   7.53 +/- 0.97   0.332% *  0.0952% (0.97   1.0  1.00   0.02   3.33) =   0.000%
        T QD1   ILE   56 - HB2   LEU   73  13.91 +/- 1.84   0.008% *  0.8844% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB2   LEU   73  19.71 +/- 2.63   0.001% *  0.3364% (0.34   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 5.13, residual support = 172.7:
    * O T HA    LEU   73 - HB3   LEU   73   2.83 +/- 0.26 100.000% *100.0000% (1.00  10.0 10.00   5.13 172.74) = 100.000%  kept
    Distance limit 3.76 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 = 5.13, residual support = 172.7:
    * O T HB2   LEU   73 - HB3   LEU   73   1.75 +/- 0.00  99.997% * 98.2609% (1.00  10.0 10.00   5.13 172.74) = 100.000%  kept
        T QD    LYS+ 102 - HB3   LEU   73  16.49 +/- 1.36   0.000% *  0.4040% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU   73  14.25 +/- 1.25   0.000% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU   73  14.40 +/- 0.84   0.000% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB3   LEU   73  13.22 +/- 1.87   0.001% *  0.0303% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU   73  22.23 +/- 2.19   0.000% *  0.8812% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU   73  14.98 +/- 1.42   0.000% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU   73  16.18 +/- 0.98   0.000% *  0.0948% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   LEU   73  14.44 +/- 0.92   0.000% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LEU   73  21.08 +/- 2.69   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 839 (1.38, 1.38, 46.21 ppm):
    1 diagonal assignment:
    *     HB3   LEU   73 - HB3   LEU   73  (1.00)  kept
 
    Peak 840 (0.58, 1.38, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.1, residual support = 172.7:
    * O T QD1   LEU   73 - HB3   LEU   73   2.42 +/- 0.17  99.385% * 97.5376% (1.00  10.0 10.00   5.10 172.74) =  99.997%  kept
        T QD2   LEU   80 - HB3   LEU   73   7.23 +/- 2.57   0.317% *  0.7810% (0.80   1.0 10.00   0.02   0.02) =   0.003%
        T QD1   LEU   63 - HB3   LEU   73   9.40 +/- 1.54   0.057% *  0.9754% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HB3   LEU   73  12.32 +/- 1.60   0.024% *  0.5522% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   73   7.48 +/- 1.33   0.187% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   LEU   73  10.34 +/- 1.38   0.027% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   73  14.94 +/- 1.21   0.002% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 841 (0.78, 1.38, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.3, residual support = 172.6:
    * O T QD2   LEU   73 - HB3   LEU   73   3.02 +/- 0.30  72.706% * 99.1570% (1.00  10.0 10.00   6.30 172.74) =  99.898%  kept
        T QG1   VAL   43 - HB3   LEU   73   4.35 +/- 1.39  26.361% *  0.2757% (0.28   1.0 10.00   0.02   8.20) =   0.101%
          HG    LEU   31 - HB3   LEU   73   7.43 +/- 0.92   0.415% *  0.0957% (0.97   1.0  1.00   0.02   3.33) =   0.001%
          QG1   VAL   41 - HB3   LEU   73   7.77 +/- 1.07   0.494% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB3   LEU   73  13.34 +/- 1.88   0.021% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB3   LEU   73  19.05 +/- 2.71   0.002% *  0.3382% (0.34   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 842 (5.57, 0.58, 26.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 172.7:
    *   T HA    LEU   73 - QD1   LEU   73   3.82 +/- 0.14  99.182% * 98.7705% (1.00 10.00   5.00 172.74) =  99.992%  kept
        T HA    LEU   73 - QD1   LEU   63   9.30 +/- 1.24   0.731% *  0.9877% (1.00 10.00   0.02   0.02) =   0.007%
        T HA    LEU   73 - QD1   LEU  104  13.24 +/- 1.41   0.087% *  0.2418% (0.24 10.00   0.02   0.02) =   0.000%
    Distance limit 4.88 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 = 0.97, support = 4.89, residual support = 167.5:
    * O T HB2   LEU   73 - QD1   LEU   73   2.28 +/- 0.17  47.532% * 91.8095% (1.00  10.0 10.00   5.00 172.74) =  96.626%  kept
        T HB3   LYS+  99 - QD1   LEU  104   2.92 +/- 1.50  26.657% *  3.9570% (0.05   1.0 10.00   1.58  17.35) =   2.336%  kept
          QD    LYS+  99 - QD1   LEU  104   3.02 +/- 1.61  24.710% *  1.8949% (0.23   1.0  1.00   1.83  17.35) =   1.037%  kept
          QG1   ILE   56 - QD1   LEU   63   5.28 +/- 0.85   0.792% *  0.0283% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   LEU   63   9.96 +/- 1.69   0.020% *  0.9181% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU   63   8.88 +/- 0.96   0.016% *  0.0868% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  104   8.03 +/- 0.92   0.058% *  0.0213% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  104   6.79 +/- 1.00   0.123% *  0.0092% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   63   9.25 +/- 1.77   0.018% *  0.0594% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   LEU  104  12.77 +/- 1.88   0.004% *  0.2247% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   63   9.99 +/- 2.15   0.016% *  0.0557% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU   63  10.16 +/- 1.09   0.010% *  0.0848% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   63  11.46 +/- 1.87   0.005% *  0.0886% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU   73  11.28 +/- 0.72   0.004% *  0.0848% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   63  12.49 +/- 1.86   0.003% *  0.0823% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU   73  12.42 +/- 0.89   0.002% *  0.0868% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU  104  10.94 +/- 2.90   0.008% *  0.0145% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   63  10.77 +/- 0.68   0.005% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   73  12.87 +/- 1.33   0.003% *  0.0377% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   73  11.21 +/- 0.71   0.004% *  0.0204% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   73  14.54 +/- 1.38   0.001% *  0.0557% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   73  15.28 +/- 0.93   0.001% *  0.0886% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   63  13.69 +/- 1.19   0.001% *  0.0377% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU   73  12.77 +/- 1.33   0.002% *  0.0283% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU  104  12.75 +/- 1.57   0.003% *  0.0069% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   73  20.21 +/- 2.10   0.000% *  0.0823% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   73  18.37 +/- 2.28   0.000% *  0.0594% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  104  17.11 +/- 1.41   0.000% *  0.0217% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  104  17.51 +/- 1.99   0.000% *  0.0202% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  104  17.17 +/- 1.30   0.000% *  0.0136% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 844 (1.38, 0.58, 26.34 ppm):
    45 chemical-shift based assignments, quality = 1.0, support = 5.1, residual support = 172.7:
    * O T HB3   LEU   73 - QD1   LEU   73   2.42 +/- 0.17  90.946% * 96.9771% (1.00  10.0 10.00   5.10 172.74) =  99.996%  kept
          HB    VAL   42 - QD1   LEU   63   6.02 +/- 1.18   0.955% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   42 - QD1   LEU   73   5.67 +/- 0.61   0.792% *  0.0961% (0.99   1.0  1.00   0.02   1.68) =   0.001%
        T HB3   LEU   73 - QD1   LEU   63   9.40 +/- 1.54   0.052% *  0.9698% (1.00   1.0 10.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QD1   LEU   73   7.10 +/- 0.98   0.226% *  0.0936% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU  104   5.18 +/- 0.81   1.865% *  0.0089% (0.09   1.0  1.00   0.02   6.70) =   0.000%
          HD3   LYS+ 121 - QD1   LEU  104   8.36 +/- 2.64   2.551% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU   73   7.05 +/- 0.96   0.249% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   8.23 +/- 1.93   0.200% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU  104   7.04 +/- 1.02   0.224% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU  104   6.23 +/- 1.02   0.870% *  0.0059% (0.06   1.0  1.00   0.02   6.70) =   0.000%
        T HB3   LEU   73 - QD1   LEU  104  12.32 +/- 1.60   0.020% *  0.2374% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   63   8.70 +/- 0.54   0.047% *  0.0961% (0.99   1.0  1.00   0.02   1.58) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63   8.89 +/- 0.98   0.046% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.24 +/- 0.62   0.160% *  0.0219% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   73   6.96 +/- 0.35   0.170% *  0.0170% (0.18   1.0  1.00   0.02  42.16) =   0.000%
          HG    LEU   98 - QD1   LEU   73   7.61 +/- 1.00   0.117% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   63   8.97 +/- 2.13   0.150% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU  104   8.27 +/- 1.29   0.092% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   63  10.87 +/- 0.89   0.013% *  0.0951% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU   63   9.38 +/- 0.73   0.032% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   73  12.65 +/- 2.64   0.012% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63  10.08 +/- 0.95   0.021% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  12.54 +/- 0.87   0.005% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73  10.75 +/- 0.79   0.013% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104  10.02 +/- 3.29   0.093% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   63  10.35 +/- 1.42   0.022% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  10.47 +/- 1.40   0.022% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   73  13.67 +/- 1.27   0.003% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  12.74 +/- 1.36   0.006% *  0.0364% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   73  14.55 +/- 1.00   0.002% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   63  14.86 +/- 0.98   0.002% *  0.0968% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   63  15.41 +/- 1.15   0.002% *  0.0936% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   63  16.21 +/- 1.88   0.001% *  0.0627% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  14.15 +/- 1.49   0.003% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU  104  13.57 +/- 1.23   0.004% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   73  20.14 +/- 1.72   0.000% *  0.0951% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU  104  15.90 +/- 1.34   0.001% *  0.0235% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  16.45 +/- 2.75   0.002% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  16.96 +/- 2.45   0.003% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   73  16.90 +/- 2.18   0.001% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.26 +/- 1.35   0.002% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU  104  17.77 +/- 0.94   0.001% *  0.0233% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU  104  18.30 +/- 2.34   0.001% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU  104  16.13 +/- 1.65   0.002% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 845 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
    *     QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
          QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 846 (0.78, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 172.7:
    * O T QD2   LEU   73 - QD1   LEU   73   2.00 +/- 0.06  85.940% * 96.6209% (1.00  10.0 10.00   6.21 172.74) =  99.978%  kept
        T QG1   VAL   41 - QD1   LEU   73   5.11 +/- 1.00   3.027% *  0.4332% (0.45   1.0 10.00   0.02   0.02) =   0.016%
          HG    LEU   31 - QD1   LEU   73   4.14 +/- 0.75   2.060% *  0.0932% (0.97   1.0  1.00   0.02   3.33) =   0.002%
          QG1   VAL   43 - QD1   LEU   73   3.71 +/- 0.96   7.119% *  0.0269% (0.28   1.0  1.00   0.02   8.20) =   0.002%
        T HG3   LYS+ 121 - QD1   LEU  104   7.36 +/- 2.65   0.818% *  0.0807% (0.08   1.0 10.00   0.02   0.02) =   0.001%
        T QD2   LEU   73 - QD1   LEU   63   8.07 +/- 0.92   0.026% *  0.9662% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU   63   5.63 +/- 0.86   0.281% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU  104   6.05 +/- 0.88   0.183% *  0.1060% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   63   8.93 +/- 1.93   0.021% *  0.3296% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63   9.24 +/- 0.68   0.010% *  0.4332% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   8.01 +/- 1.52   0.455% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD1   LEU  104   9.93 +/- 1.07   0.008% *  0.2365% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   7.41 +/- 0.89   0.042% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU   73  12.75 +/- 1.40   0.002% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   73  16.44 +/- 2.20   0.000% *  0.3296% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU  104  11.97 +/- 1.69   0.005% *  0.0228% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU   63  13.56 +/- 1.03   0.001% *  0.0932% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU  104  12.43 +/- 1.27   0.002% *  0.0212% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 847 (5.57, 0.78, 24.39 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 172.7:
    *   T HA    LEU   73 - QD2   LEU   73   2.24 +/- 0.49 100.000% * 99.6602% (1.00 10.00   6.21 172.74) = 100.000%  kept
        T HA    LEU   73 - HG3   LYS+ 121  19.75 +/- 2.23   0.000% *  0.3398% (0.34 10.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.04 A, kept.
 
    Peak 848 (1.70, 0.78, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 172.7:
    * O T HB2   LEU   73 - QD2   LEU   73   2.71 +/- 0.29  99.344% * 98.3218% (1.00  10.0 10.00   6.21 172.74) =  99.999%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.09 +/- 0.53   0.200% *  0.2169% (0.22   1.0 10.00   0.02   2.32) =   0.000%
        T QG1   ILE   56 - QD2   LEU   73  12.03 +/- 1.36   0.024% *  0.3035% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 121   8.96 +/- 1.52   0.130% *  0.0317% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 121  10.23 +/- 2.73   0.105% *  0.0310% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD2   LEU   73  11.08 +/- 0.84   0.028% *  0.0908% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU   73  12.91 +/- 1.06   0.014% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+ 121  12.71 +/- 1.14   0.011% *  0.1035% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  14.21 +/- 1.74   0.017% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU   73  15.46 +/- 1.41   0.006% *  0.0949% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD2   LEU   73  11.31 +/- 0.70   0.025% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  13.76 +/- 1.32   0.010% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+ 121  11.30 +/- 3.20   0.054% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 121  19.71 +/- 2.63   0.001% *  0.3353% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  12.98 +/- 2.85   0.022% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  17.08 +/- 1.97   0.002% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG3   LYS+ 121  15.74 +/- 2.46   0.005% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU   73  19.92 +/- 2.46   0.001% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 121  18.45 +/- 1.70   0.001% *  0.0324% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  18.56 +/- 1.92   0.001% *  0.0203% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 849 (1.38, 0.78, 24.39 ppm):
    30 chemical-shift based assignments, quality = 0.89, support = 6.24, residual support = 188.3:
    * O T HB3   LEU   73 - QD2   LEU   73   3.02 +/- 0.30  27.267% * 89.5676% (1.00  10.0 10.00   6.30 172.74) =  87.872%  kept
      O T HD3   LYS+ 121 - HG3   LYS+ 121   2.53 +/- 0.31  68.242% *  4.7126% (0.05  10.0 10.00   5.98 315.24) =  11.571%  kept
          HB    VAL   42 - QD2   LEU   73   4.57 +/- 0.80   3.526% *  4.3817% (0.99   1.0  1.00   0.99   1.68) =   0.556%  kept
          HG3   LYS+  33 - QD2   LEU   73   7.41 +/- 1.08   0.147% *  0.0864% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   73   6.00 +/- 0.47   0.438% *  0.0157% (0.18   1.0  1.00   0.02  42.16) =   0.000%
          QB    LEU   98 - QD2   LEU   73   7.91 +/- 0.88   0.090% *  0.0336% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 121   9.04 +/- 2.00   0.080% *  0.0282% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   73  11.39 +/- 2.80   0.036% *  0.0579% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD2   LEU   73   8.57 +/- 1.32   0.085% *  0.0223% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   73  12.40 +/- 1.12   0.006% *  0.0888% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   73  12.41 +/- 1.70   0.013% *  0.0336% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   73  13.01 +/- 1.23   0.004% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   73  11.77 +/- 0.92   0.008% *  0.0306% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HG3   LYS+ 121  19.05 +/- 2.71   0.001% *  0.3054% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - QD2   LEU   73  16.35 +/- 1.99   0.001% *  0.1382% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   73  14.68 +/- 1.29   0.002% *  0.0894% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG3   LYS+ 121  13.93 +/- 2.78   0.006% *  0.0303% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 121  14.53 +/- 3.30   0.004% *  0.0305% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 121  12.11 +/- 2.26   0.010% *  0.0115% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 121  10.13 +/- 0.88   0.021% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 121  13.51 +/- 2.77   0.007% *  0.0076% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   73  19.32 +/- 1.90   0.001% *  0.0878% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG3   LYS+ 121  15.69 +/- 1.21   0.001% *  0.0299% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   73  15.24 +/- 2.51   0.002% *  0.0157% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 121  18.42 +/- 1.99   0.001% *  0.0303% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 121  16.77 +/- 1.43   0.001% *  0.0115% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 121  23.41 +/- 3.05   0.000% *  0.0295% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 121  22.11 +/- 1.76   0.000% *  0.0104% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 121  25.44 +/- 3.19   0.000% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG3   LYS+ 121  21.83 +/- 1.86   0.000% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 850 (0.58, 0.78, 24.39 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 172.7:
    * O T QD1   LEU   73 - QD2   LEU   73   2.00 +/- 0.06  98.841% * 97.3141% (1.00  10.0 10.00   6.21 172.74) =  99.998%  kept
        T QD1   LEU  104 - HG3   LYS+ 121   7.36 +/- 2.65   0.860% *  0.1879% (0.19   1.0 10.00   0.02   0.02) =   0.002%
        T QD1   LEU   63 - QD2   LEU   73   8.07 +/- 0.92   0.034% *  0.9731% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - HG3   LYS+ 121   8.93 +/- 1.93   0.023% *  0.3318% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU   73   7.38 +/- 1.98   0.076% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QD2   LEU   73   9.93 +/- 1.07   0.009% *  0.5509% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU   73   8.46 +/- 1.01   0.032% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG3   LYS+ 121   8.41 +/- 2.64   0.058% *  0.0188% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU   73   7.77 +/- 1.30   0.055% *  0.0170% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG3   LYS+ 121   9.48 +/- 0.65   0.010% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG3   LYS+ 121  16.44 +/- 2.20   0.000% *  0.3318% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU   73  12.99 +/- 0.96   0.002% *  0.0813% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   LYS+ 121  21.19 +/- 2.67   0.000% *  0.0266% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+ 121  19.76 +/- 2.50   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 851 (0.78, 0.78, 24.39 ppm):
    2 diagonal assignments:
    *     QD2   LEU   73 - QD2   LEU   73  (1.00)  kept
          HG3   LYS+ 121 - HG3   LYS+ 121  (0.12)  kept
 
    Peak 852 (4.94, 4.94, 55.14 ppm):
    1 diagonal assignment:
    *     HA    LYS+  74 - HA    LYS+  74  (0.64)  kept
 
    Peak 853 (1.48, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 187.5:
    * O T HB2   LYS+  74 - HA    LYS+  74   2.71 +/- 0.15  99.821% * 99.4757% (0.64  10.0 10.00   6.31 187.48) = 100.000%  kept
          QG2   THR   26 - HA    LYS+  74   8.30 +/- 0.40   0.137% *  0.0654% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LYS+  74  13.39 +/- 1.90   0.011% *  0.0557% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  74  14.70 +/- 0.80   0.005% *  0.1114% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+  74  14.95 +/- 1.56   0.005% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+  74  14.16 +/- 0.99   0.006% *  0.0310% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  74  13.47 +/- 0.98   0.007% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  74  14.37 +/- 1.65   0.007% *  0.0218% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+  74  17.66 +/- 0.88   0.001% *  0.0853% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LYS+  74  19.06 +/- 1.56   0.001% *  0.0466% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.05 A, kept.
 
    Peak 854 (1.24, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 187.5:
    * O T HG2   LYS+  74 - HA    LYS+  74   2.36 +/- 0.26  99.780% * 99.1206% (0.80  10.0 10.00   6.28 187.48) = 100.000%  kept
          QG2   ILE   56 - HA    LYS+  74   9.85 +/- 2.11   0.157% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  74   9.65 +/- 0.54   0.026% *  0.0915% (0.74   1.0  1.00   0.02   8.02) =   0.000%
          HG    LEU   71 - HA    LYS+  74  11.81 +/- 1.03   0.011% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  74  11.74 +/- 1.12   0.008% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+  74  12.49 +/- 2.30   0.010% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    LYS+  74  12.42 +/- 0.66   0.006% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HA    LYS+  74  19.33 +/- 2.22   0.001% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+  74  18.19 +/- 1.21   0.001% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    LYS+  74  21.29 +/- 1.11   0.000% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 855 (0.98, 4.94, 55.14 ppm):
    8 chemical-shift based assignments, quality = 0.788, support = 5.56, residual support = 184.0:
    * O T HG3   LYS+  74 - HA    LYS+  74   3.54 +/- 0.12  77.415% * 92.2583% (0.80  10.0 10.00   5.57 187.48) =  97.776%  kept
          HB    VAL   75 - HA    LYS+  74   4.47 +/- 0.49  22.145% *  7.3331% (0.25   1.0  1.00   5.15  32.03) =   2.223%  kept
          QD2   LEU   71 - HA    LYS+  74   9.97 +/- 0.35   0.160% *  0.0634% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    LYS+  74  10.84 +/- 1.06   0.118% *  0.0852% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    LYS+  74  11.56 +/- 1.09   0.077% *  0.0827% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    LYS+  74  13.42 +/- 0.70   0.027% *  0.0904% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    LYS+  74  13.19 +/- 1.27   0.035% *  0.0522% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    LYS+  74  14.18 +/- 1.22   0.022% *  0.0346% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.37 A, kept.
 
    Peak 856 (1.64, 4.94, 55.14 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 187.5:
    *   T HD2   LYS+  74 - HA    LYS+  74   2.83 +/- 0.63  99.768% * 99.2156% (0.80 10.00   5.91 187.48) = 100.000%  kept
          QB    ALA   57 - HA    LYS+  74  10.23 +/- 1.57   0.082% *  0.0861% (0.69  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  74   9.87 +/- 0.98   0.111% *  0.0483% (0.39  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LYS+  74  13.86 +/- 1.05   0.016% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LYS+  74  13.49 +/- 1.68   0.015% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  74  19.69 +/- 0.71   0.002% *  0.3384% (0.27 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LYS+  74  20.70 +/- 2.34   0.002% *  0.0829% (0.67  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  74  17.93 +/- 1.35   0.002% *  0.0602% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  74  21.72 +/- 2.16   0.001% *  0.0562% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.18 A, kept.
 
    Peak 857 (2.80, 4.94, 55.14 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 187.5:
    *   T QE    LYS+  74 - HA    LYS+  74   2.68 +/- 0.55  99.256% * 99.7560% (0.80 10.00   4.93 187.48) = 100.000%  kept
          HB2   PHE   72 - HA    LYS+  74   7.14 +/- 0.54   0.590% *  0.0308% (0.25  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HA    LYS+  74  10.96 +/- 1.78   0.129% *  0.0995% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  74  12.09 +/- 0.83   0.024% *  0.0374% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    LYS+  74  17.98 +/- 0.55   0.002% *  0.0762% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.21 A, kept.
 
    Peak 858 (4.94, 1.48, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 187.5:
    * O T HA    LYS+  74 - HB2   LYS+  74   2.71 +/- 0.15  99.983% * 99.8966% (0.64  10.0 10.00   6.31 187.48) = 100.000%  kept
          HA    THR   94 - HB2   LYS+  74  12.71 +/- 0.98   0.012% *  0.0757% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   LYS+  74  14.53 +/- 1.01   0.005% *  0.0278% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 859 (1.48, 1.48, 36.69 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  74 - HB2   LYS+  74  (0.64)  kept
 
    Peak 860 (1.24, 1.48, 36.69 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 187.5:
    * O T HG2   LYS+  74 - HB2   LYS+  74   3.02 +/- 0.03  99.565% * 99.1206% (0.80  10.0 10.00   5.85 187.48) = 100.000%  kept
          HG13  ILE   19 - HB2   LYS+  74   8.36 +/- 0.61   0.242% *  0.0915% (0.74   1.0  1.00   0.02   8.02) =   0.000%
          HG    LEU   71 - HB2   LYS+  74  12.10 +/- 1.05   0.028% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  74  10.80 +/- 1.91   0.109% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB2   LYS+  74  12.65 +/- 0.85   0.020% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  74  13.34 +/- 1.28   0.017% *  0.0601% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+  74  14.54 +/- 2.28   0.015% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB2   LYS+  74  20.93 +/- 2.38   0.001% *  0.3720% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+  74  19.46 +/- 1.20   0.001% *  0.0989% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB2   LYS+  74  22.16 +/- 1.22   0.001% *  0.0338% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.07 A, kept.
 
    Peak 861 (0.98, 1.48, 36.69 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 187.5:
    * O T HG3   LYS+  74 - HB2   LYS+  74   2.66 +/- 0.10  99.354% * 97.9320% (0.80  10.0 10.00   5.27 187.48) =  99.999%  kept
        T QD1   LEU   67 - HB2   LYS+  74  10.92 +/- 1.52   0.034% *  0.9040% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LYS+  74   6.47 +/- 0.56   0.548% *  0.0302% (0.25   1.0  1.00   0.02  32.03) =   0.000%
        T QD2   LEU   40 - HB2   LYS+  74  12.69 +/- 0.96   0.010% *  0.8783% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   LYS+  74   9.87 +/- 0.61   0.043% *  0.0673% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LYS+  74  15.27 +/- 0.71   0.003% *  0.0960% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LYS+  74  15.09 +/- 1.18   0.004% *  0.0554% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  74  14.81 +/- 1.24   0.004% *  0.0368% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 862 (1.64, 1.48, 36.69 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 6.31, residual support = 187.5:
    * O T HD2   LYS+  74 - HB2   LYS+  74   2.38 +/- 0.43  99.903% * 97.4681% (0.80  10.0 10.00   6.31 187.48) = 100.000%  kept
        T QD    LYS+  65 - HB2   LYS+  74  12.67 +/- 2.14   0.010% *  0.5518% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   LYS+  74  10.30 +/- 1.94   0.060% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+  74  11.33 +/- 1.16   0.020% *  0.0474% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HB2   LYS+  74  19.37 +/- 1.58   0.001% *  0.5912% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HB2   LYS+  74  13.65 +/- 1.25   0.005% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   LYS+  74  22.33 +/- 2.59   0.000% *  0.8141% (0.67   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+  74  20.52 +/- 0.92   0.000% *  0.3325% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+  74  22.40 +/- 2.22   0.000% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 863 (2.80, 1.48, 36.69 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.62, residual support = 187.5:
    *   T QE    LYS+  74 - HB2   LYS+  74   2.94 +/- 0.64  98.218% * 99.7560% (0.80 10.00   4.62 187.48) =  99.999%  kept
          HB2   PHE   72 - HB2   LYS+  74   6.80 +/- 0.89   1.671% *  0.0308% (0.25  1.00   0.02   0.02) =   0.001%
          QB    CYS   50 - HB2   LYS+  74  11.52 +/- 2.40   0.066% *  0.0995% (0.80  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+  74  12.18 +/- 1.36   0.041% *  0.0374% (0.30  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   LYS+  74  17.90 +/- 0.91   0.004% *  0.0762% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 864 (4.94, 1.24, 25.23 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 187.5:
    * O T HA    LYS+  74 - HG2   LYS+  74   2.36 +/- 0.26  99.939% * 99.7790% (0.80  10.0 10.00   6.28 187.48) = 100.000%  kept
          HA    THR   94 - HG2   LYS+  74  10.93 +/- 1.23   0.013% *  0.0756% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   94 - HG3   LYS+ 111  10.12 +/- 1.74   0.023% *  0.0081% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG2   LYS+  74  12.34 +/- 1.13   0.006% *  0.0277% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  74 - HG3   LYS+ 111  19.33 +/- 2.22   0.001% *  0.1066% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+ 111  11.29 +/- 2.12   0.018% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 865 (1.48, 1.24, 25.23 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 187.5:
    * O T HB2   LYS+  74 - HG2   LYS+  74   3.02 +/- 0.03  98.781% * 99.3145% (0.80  10.0 10.00   5.85 187.48) = 100.000%  kept
          QG2   THR   26 - HG2   LYS+  74   9.37 +/- 0.49   0.116% *  0.0653% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 111   7.92 +/- 1.79   0.802% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+  74  13.17 +/- 2.42   0.033% *  0.0556% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 111   9.17 +/- 1.49   0.187% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG2   LYS+  74  14.85 +/- 1.91   0.010% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+  74  16.35 +/- 1.61   0.005% *  0.1112% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG2   LYS+  74  14.34 +/- 1.84   0.013% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG2   LYS+  74  15.07 +/- 1.49   0.008% *  0.0309% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG2   LYS+  74  18.05 +/- 1.24   0.002% *  0.0852% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 111  12.90 +/- 0.83   0.017% *  0.0091% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG2   LYS+  74  15.10 +/- 1.15   0.007% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG3   LYS+ 111  20.93 +/- 2.38   0.001% *  0.1061% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG2   LYS+  74  19.85 +/- 1.63   0.001% *  0.0465% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+ 111  14.75 +/- 2.63   0.011% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 111  23.44 +/- 1.98   0.001% *  0.0119% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 111  21.13 +/- 1.65   0.001% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 111  23.87 +/- 1.94   0.000% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 111  22.45 +/- 2.89   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 111  21.51 +/- 1.91   0.001% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.19 A, kept.
 
    Peak 866 (1.24, 1.24, 25.23 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  74 - HG2   LYS+  74  (1.00)  kept
          HG3   LYS+ 111 - HG3   LYS+ 111  (0.04)  kept
 
    Peak 867 (0.98, 1.24, 25.23 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.5:
    * O T HG3   LYS+  74 - HG2   LYS+  74   1.75 +/- 0.00  99.880% * 99.3075% (1.00  10.0 10.00   4.54 187.48) = 100.000%  kept
          HB    VAL   75 - HG2   LYS+  74   5.70 +/- 0.67   0.112% *  0.0307% (0.31   1.0  1.00   0.02  32.03) =   0.000%
          QD1   LEU   67 - HG2   LYS+  74  11.55 +/- 1.48   0.002% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG2   LYS+  74  11.24 +/- 0.70   0.002% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG2   LYS+  74  12.97 +/- 1.24   0.001% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG2   LYS+  74  14.70 +/- 0.92   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG2   LYS+  74  14.59 +/- 1.40   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   LYS+  74  14.38 +/- 1.50   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG3   LYS+ 111  19.95 +/- 2.73   0.000% *  0.1061% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG3   LYS+ 111  14.42 +/- 2.37   0.001% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   LYS+ 111  12.30 +/- 0.71   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG3   LYS+ 111  22.31 +/- 1.98   0.000% *  0.0729% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG3   LYS+ 111  16.04 +/- 2.29   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG3   LYS+ 111  17.85 +/- 2.58   0.000% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG3   LYS+ 111  17.83 +/- 1.68   0.000% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG3   LYS+ 111  19.71 +/- 2.55   0.000% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 868 (1.64, 1.24, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.927, support = 5.53, residual support = 197.7:
    * O T HD2   LYS+  74 - HG2   LYS+  74   2.80 +/- 0.21  50.504% * 89.4618% (1.00  10.0 10.00   5.54 187.48) =  91.975%  kept
      O T HD3   LYS+ 111 - HG3   LYS+ 111   2.82 +/- 0.20  49.360% *  7.9861% (0.09  10.0 10.00   5.40 315.37) =   8.024%  kept
          QB    ALA   57 - HG2   LYS+  74   9.20 +/- 1.80   0.088% *  0.0776% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  13.22 +/- 2.22   0.008% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  20.52 +/- 2.75   0.001% *  0.7472% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  15.38 +/- 1.18   0.002% *  0.5065% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  10.70 +/- 1.23   0.021% *  0.0435% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  21.37 +/- 1.11   0.000% *  0.3052% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  12.32 +/- 1.54   0.010% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  19.02 +/- 2.23   0.001% *  0.0956% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.76 +/- 1.41   0.001% *  0.0543% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.00 +/- 1.89   0.001% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  14.81 +/- 1.86   0.003% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  22.27 +/- 2.26   0.000% *  0.0506% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  28.37 +/- 2.09   0.000% *  0.0541% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.79 +/- 0.96   0.000% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  27.85 +/- 2.13   0.000% *  0.0326% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.58 +/- 2.57   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 869 (2.80, 1.24, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.5:
    * O T QE    LYS+  74 - HG2   LYS+  74   2.62 +/- 0.67  97.184% * 99.6238% (1.00  10.0 10.00   4.54 187.48) =  99.998%  kept
          QB    CYS   50 - HG2   LYS+  74   9.81 +/- 2.24   2.075% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   72 - HG2   LYS+  74   8.14 +/- 1.14   0.635% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+  74  11.08 +/- 1.14   0.056% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HG3   LYS+ 111  13.35 +/- 2.74   0.043% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  74 - HG3   LYS+ 111  16.13 +/- 2.06   0.003% *  0.1065% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG2   LYS+  74  19.17 +/- 1.22   0.002% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 111  22.73 +/- 3.88   0.001% *  0.0040% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+ 111  21.97 +/- 2.14   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+ 111  27.93 +/- 2.07   0.000% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 870 (4.94, 0.98, 25.23 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.57, residual support = 187.5:
    * O T HA    LYS+  74 - HG3   LYS+  74   3.54 +/- 0.12  99.876% * 99.8966% (0.80  10.0 10.00   5.57 187.48) = 100.000%  kept
          HA    THR   94 - HG3   LYS+  74  12.23 +/- 1.39   0.079% *  0.0757% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+  74  13.26 +/- 1.31   0.044% *  0.0278% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 871 (1.48, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 187.5:
    * O T HB2   LYS+  74 - HG3   LYS+  74   2.66 +/- 0.10  99.908% * 98.5261% (0.80  10.0 10.00   5.27 187.48) = 100.000%  kept
          QG2   THR   26 - HG3   LYS+  74   9.45 +/- 0.54   0.058% *  0.0647% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HG3   LYS+  74  15.49 +/- 1.95   0.004% *  0.8452% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+  74  12.73 +/- 2.46   0.017% *  0.0552% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HG3   LYS+  74  16.08 +/- 1.11   0.002% *  0.2155% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+  74  17.19 +/- 1.48   0.002% *  0.1103% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  74  15.33 +/- 1.44   0.003% *  0.0307% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  74  15.13 +/- 1.86   0.004% *  0.0215% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  74  18.61 +/- 1.20   0.001% *  0.0845% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+  74  20.78 +/- 1.81   0.001% *  0.0462% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 872 (1.24, 0.98, 25.23 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.5:
    * O T HG2   LYS+  74 - HG3   LYS+  74   1.75 +/- 0.00  99.984% * 99.1206% (1.00  10.0 10.00   4.54 187.48) = 100.000%  kept
          HG13  ILE   19 - HG3   LYS+  74  10.20 +/- 0.96   0.003% *  0.0915% (0.92   1.0  1.00   0.02   8.02) =   0.000%
          QG2   ILE   56 - HG3   LYS+  74   9.87 +/- 2.14   0.009% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG3   LYS+  74  12.57 +/- 1.64   0.001% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+  74  14.29 +/- 2.54   0.001% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG3   LYS+  74  14.04 +/- 1.27   0.000% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   LYS+  74  19.95 +/- 2.73   0.000% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG3   LYS+  74  14.21 +/- 0.86   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   LYS+  74  20.98 +/- 1.57   0.000% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG3   LYS+  74  24.03 +/- 1.34   0.000% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 873 (0.98, 0.98, 25.23 ppm):
    1 diagonal assignment:
    *     HG3   LYS+  74 - HG3   LYS+  74  (1.00)  kept
 
    Peak 874 (1.64, 0.98, 25.23 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.5:
    * O T HD2   LYS+  74 - HG3   LYS+  74   2.89 +/- 0.13  99.598% * 99.2156% (1.00  10.0 10.00   4.97 187.48) = 100.000%  kept
          QB    ALA   57 - HG3   LYS+  74   9.04 +/- 2.02   0.336% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG3   LYS+  74  12.71 +/- 2.25   0.029% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  74  11.74 +/- 1.17   0.028% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HG3   LYS+  74  15.61 +/- 1.15   0.005% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+  74  21.41 +/- 2.99   0.003% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+  74  22.14 +/- 1.00   0.001% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  74  19.68 +/- 1.43   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  74  22.74 +/- 2.07   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 875 (2.80, 0.98, 25.23 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 187.5:
    * O T QE    LYS+  74 - HG3   LYS+  74   3.10 +/- 0.26  98.657% * 99.7560% (1.00  10.0 10.00   4.00 187.48) =  99.999%  kept
          QB    CYS   50 - HG3   LYS+  74   9.96 +/- 2.57   0.942% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   72 - HG3   LYS+  74   8.28 +/- 0.79   0.343% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+  74  11.10 +/- 0.91   0.056% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+  74  19.38 +/- 0.99   0.002% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 876 (4.94, 1.64, 30.09 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 187.5:
    *   T HA    LYS+  74 - HD2   LYS+  74   2.83 +/- 0.63  99.921% * 99.6012% (0.80 10.00   5.91 187.48) = 100.000%  kept
          HA    THR   94 - HD2   LYS+  74  11.08 +/- 1.43   0.058% *  0.0754% (0.61  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HD2   LYS+  74  13.07 +/- 1.33   0.018% *  0.0277% (0.22  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  74 - QD    LYS+  38  19.69 +/- 0.71   0.002% *  0.2184% (0.18 10.00   0.02   0.02) =   0.000%
          HA    THR   94 - QD    LYS+  38  21.60 +/- 1.03   0.001% *  0.0165% (0.13  1.00   0.02   0.02) =   0.000%
        T HA    MET   92 - QD    LYS+  38  27.25 +/- 1.00   0.000% *  0.0607% (0.05 10.00   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 877 (1.48, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 6.31, residual support = 187.5:
    * O T HB2   LYS+  74 - HD2   LYS+  74   2.38 +/- 0.43  99.721% * 98.0482% (0.80  10.0 10.00   6.31 187.48) = 100.000%  kept
        T HG2   LYS+  65 - HD2   LYS+  74  11.92 +/- 2.92   0.014% *  0.5490% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   8.25 +/- 0.86   0.137% *  0.0241% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+  74   9.45 +/- 0.54   0.034% *  0.0644% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+  74  14.30 +/- 1.86   0.006% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HD2   LYS+  74  19.17 +/- 2.06   0.001% *  0.4596% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  38   9.53 +/- 0.83   0.052% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+  74  15.53 +/- 1.53   0.002% *  0.1098% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   LYS+  74  13.90 +/- 1.92   0.009% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  18.04 +/- 2.97   0.001% *  0.1008% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+  74  13.82 +/- 1.82   0.005% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+  74  17.31 +/- 1.34   0.001% *  0.0841% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  20.52 +/- 0.92   0.000% *  0.2150% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+  74  14.39 +/- 1.58   0.004% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  21.08 +/- 1.70   0.000% *  0.1204% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  38  14.28 +/- 2.08   0.007% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  14.88 +/- 0.50   0.003% *  0.0141% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  38  17.18 +/- 2.35   0.001% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  38  22.97 +/- 1.36   0.000% *  0.0184% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  38  22.89 +/- 1.29   0.000% *  0.0047% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.19 A, kept.
 
    Peak 878 (1.24, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.851, support = 5.52, residual support = 192.6:
    * O T HG2   LYS+  74 - HD2   LYS+  74   2.80 +/- 0.21  27.692% * 90.7641% (1.00  10.0 10.00   5.54 187.48) =  83.920%  kept
      O T HG3   LYS+  38 - QD    LYS+  38   2.35 +/- 0.16  70.903% *  6.7893% (0.07  10.0 10.00   5.41 219.19) =  16.073%  kept
        T HG3   LYS+  99 - QD    LYS+  38   5.92 +/- 1.16   1.096% *  0.1986% (0.22   1.0 10.00   0.02   0.02) =   0.007%
          QG2   ILE   56 - HD2   LYS+  74   9.22 +/- 2.18   0.115% *  0.0180% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74   9.68 +/- 1.10   0.022% *  0.0838% (0.92   1.0  1.00   0.02   8.02) =   0.000%
          QG2   THR   39 - QD    LYS+  38   6.85 +/- 0.52   0.146% *  0.0121% (0.13   1.0  1.00   0.02  27.94) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  12.80 +/- 0.85   0.003% *  0.0906% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  12.42 +/- 1.37   0.005% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  19.31 +/- 1.21   0.000% *  0.9056% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  10.80 +/- 1.39   0.010% *  0.0199% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  13.08 +/- 0.99   0.003% *  0.0551% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HD2   LYS+  74  19.02 +/- 2.23   0.000% *  0.3406% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+  74  14.02 +/- 2.03   0.003% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  22.59 +/- 1.24   0.000% *  0.3096% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.37 +/- 1.11   0.000% *  0.1990% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  16.69 +/- 1.44   0.001% *  0.0184% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  27.85 +/- 2.13   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  22.49 +/- 1.53   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.36 +/- 1.78   0.000% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  24.21 +/- 2.09   0.000% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 879 (0.98, 1.64, 30.09 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.5:
    * O T HG3   LYS+  74 - HD2   LYS+  74   2.89 +/- 0.13  97.300% * 99.2094% (1.00  10.0 10.00   4.97 187.48) =  99.999%  kept
          HB    VAL   75 - HD2   LYS+  74   6.63 +/- 1.30   2.009% *  0.0306% (0.31   1.0  1.00   0.02  32.03) =   0.001%
          QD2   LEU   40 - QD    LYS+  38   7.74 +/- 0.90   0.368% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HD2   LYS+  74  10.51 +/- 1.48   0.063% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HD2   LYS+  74  10.58 +/- 0.88   0.045% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HD2   LYS+  74  12.39 +/- 0.95   0.019% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QD    LYS+  38   9.76 +/- 1.07   0.084% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD    LYS+  38  12.44 +/- 2.00   0.036% *  0.0201% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HD2   LYS+  74  14.55 +/- 0.94   0.007% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD    LYS+  38  11.98 +/- 0.82   0.022% *  0.0213% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HD2   LYS+  74  13.55 +/- 1.54   0.012% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HD2   LYS+  74  14.60 +/- 1.32   0.007% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD    LYS+  38  11.96 +/- 1.12   0.024% *  0.0123% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - QD    LYS+  38  22.14 +/- 1.00   0.001% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD    LYS+  38  17.13 +/- 1.84   0.003% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QD    LYS+  38  20.24 +/- 0.95   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 880 (1.64, 1.64, 30.09 ppm):
    2 diagonal assignments:
    *     HD2   LYS+  74 - HD2   LYS+  74  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.07)  kept
 
    Peak 881 (2.80, 1.64, 30.09 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.5:
    * O T QE    LYS+  74 - HD2   LYS+  74   2.25 +/- 0.10  99.696% * 99.4851% (1.00  10.0 10.00   4.97 187.48) = 100.000%  kept
          HB2   PHE   72 - HD2   LYS+  74   7.03 +/- 1.36   0.253% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - HD2   LYS+  74  10.40 +/- 2.26   0.028% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - QD    LYS+  38  11.16 +/- 1.52   0.015% *  0.0167% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+  74  12.29 +/- 1.71   0.006% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  74 - QD    LYS+  38  18.71 +/- 1.33   0.000% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HD2   LYS+  74  18.05 +/- 1.36   0.000% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - QD    LYS+  38  15.98 +/- 1.02   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    CYS   50 - QD    LYS+  38  25.35 +/- 1.52   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  38  29.10 +/- 1.34   0.000% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 882 (4.94, 2.80, 41.81 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 187.5:
    *   T HA    LYS+  74 - QE    LYS+  74   2.68 +/- 0.55  99.719% * 99.8966% (0.80 10.00   4.93 187.48) = 100.000%  kept
          HA    THR   94 - QE    LYS+  74   9.07 +/- 1.31   0.229% *  0.0757% (0.61  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - QE    LYS+  74  10.78 +/- 1.28   0.052% *  0.0278% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 883 (1.48, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 4.62, residual support = 187.5:
    *   T HB2   LYS+  74 - QE    LYS+  74   2.94 +/- 0.64  99.420% * 99.4757% (0.80 10.00   4.62 187.48) = 100.000%  kept
          QG2   THR   26 - QE    LYS+  74   8.99 +/- 0.29   0.209% *  0.0654% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QE    LYS+  74  10.90 +/- 2.32   0.117% *  0.0557% (0.45  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  74  12.14 +/- 1.45   0.049% *  0.0853% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  74  13.95 +/- 1.74   0.033% *  0.1114% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  74  11.70 +/- 1.50   0.076% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  74  12.67 +/- 1.82   0.038% *  0.0310% (0.25  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  74  15.15 +/- 1.23   0.011% *  0.0853% (0.69  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  74  12.85 +/- 1.75   0.041% *  0.0218% (0.18  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  74  16.64 +/- 1.70   0.007% *  0.0466% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.17 A, kept.
 
    Peak 884 (1.24, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 187.5:
    * O T HG2   LYS+  74 - QE    LYS+  74   2.62 +/- 0.67  98.798% * 99.1206% (1.00  10.0 10.00   4.54 187.48) = 100.000%  kept
          QG2   ILE   56 - QE    LYS+  74   7.59 +/- 1.61   0.933% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  74   9.49 +/- 0.85   0.128% *  0.0915% (0.92   1.0  1.00   0.02   8.02) =   0.000%
          QB    ALA   91 - QE    LYS+  74  10.31 +/- 1.55   0.066% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  74  11.80 +/- 1.04   0.027% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+  74  12.00 +/- 1.03   0.025% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QE    LYS+  74  16.13 +/- 2.06   0.003% *  0.3720% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QE    LYS+  74  11.92 +/- 2.07   0.017% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+  74  17.25 +/- 1.40   0.002% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QE    LYS+  74  20.36 +/- 1.52   0.001% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.03 A, kept.
 
    Peak 885 (0.98, 2.80, 41.81 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 187.5:
    * O T HG3   LYS+  74 - QE    LYS+  74   3.10 +/- 0.26  92.517% * 99.5285% (1.00  10.0 10.00   4.00 187.48) =  99.997%  kept
          HB    VAL   75 - QE    LYS+  74   5.68 +/- 1.20   6.967% *  0.0307% (0.31   1.0  1.00   0.02  32.03) =   0.002%
          QD1   LEU   67 - QE    LYS+  74   9.65 +/- 1.53   0.217% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QE    LYS+  74   9.85 +/- 0.97   0.122% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QE    LYS+  74  10.99 +/- 1.07   0.066% *  0.0893% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    LYS+  74  12.57 +/- 1.26   0.030% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QE    LYS+  74  12.67 +/- 1.54   0.034% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - QE    LYS+  74  11.80 +/- 1.51   0.047% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.02 A, kept.
 
    Peak 886 (1.64, 2.80, 41.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 187.5:
    * O T HD2   LYS+  74 - QE    LYS+  74   2.25 +/- 0.10  99.737% * 99.2156% (1.00  10.0 10.00   4.97 187.48) = 100.000%  kept
          QB    ALA   57 - QE    LYS+  74   7.57 +/- 1.75   0.225% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  74  10.30 +/- 1.61   0.021% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QE    LYS+  74  11.07 +/- 2.07   0.012% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QE    LYS+  74  13.75 +/- 1.19   0.002% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  74  18.71 +/- 1.33   0.000% *  0.3384% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QE    LYS+  74  17.36 +/- 1.99   0.001% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  74  15.65 +/- 1.34   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  74  18.74 +/- 2.33   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (2.80, 2.80, 41.81 ppm):
    1 diagonal assignment:
    *     QE    LYS+  74 - QE    LYS+  74  (1.00)  kept
 
    Peak 888 (3.71, 3.71, 61.73 ppm):
    1 diagonal assignment:
    *     HA    VAL   75 - HA    VAL   75  (1.00)  kept
 
    Peak 889 (1.00, 3.71, 61.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.5:
    * O T HB    VAL   75 - HA    VAL   75   2.66 +/- 0.33  98.869% * 99.3939% (1.00  10.0 10.00   3.44  84.48) = 100.000%  kept
          HG3   LYS+  74 - HA    VAL   75   5.90 +/- 0.46   1.108% *  0.0307% (0.31   1.0  1.00   0.02  32.03) =   0.000%
        T QD1   ILE  119 - HA    VAL   75  15.73 +/- 1.31   0.003% *  0.4086% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    VAL   75  13.84 +/- 1.20   0.007% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    VAL   75  14.05 +/- 1.12   0.006% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    VAL   75  14.69 +/- 1.16   0.005% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL   75  18.33 +/- 1.80   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 890 (0.44, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.5:
    * O T QG1   VAL   75 - HA    VAL   75   2.78 +/- 0.22  99.993% * 99.9055% (1.00  10.0 10.00   4.00  84.48) = 100.000%  kept
          QD1   LEU  115 - HA    VAL   75  14.61 +/- 1.49   0.007% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 891 (0.13, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.5:
    * O T QG2   VAL   75 - HA    VAL   75   2.47 +/- 0.46  99.974% * 99.9036% (1.00  10.0 10.00   4.00  84.48) = 100.000%  kept
          QG2   VAL   42 - HA    VAL   75  10.86 +/- 0.74   0.026% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.02 A, kept.
 
    Peak 892 (3.71, 1.00, 35.37 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.5:
    * O T HA    VAL   75 - HB    VAL   75   2.66 +/- 0.33  99.981% * 99.7003% (1.00  10.0 10.00   3.44  84.48) = 100.000%  kept
          HD3   PRO   58 - HB    VAL   75  15.95 +/- 1.68   0.003% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  119 - HB    VAL   75  17.88 +/- 1.68   0.002% *  0.1746% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HB    VAL   75  14.11 +/- 1.54   0.007% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    VAL   75  15.92 +/- 1.93   0.006% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 893 (1.00, 1.00, 35.37 ppm):
    1 diagonal assignment:
    *     HB    VAL   75 - HB    VAL   75  (1.00)  kept
 
    Peak 894 (0.44, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.5:
    * O T QG1   VAL   75 - HB    VAL   75   2.13 +/- 0.01  99.998% * 99.9055% (1.00  10.0 10.00   3.44  84.48) = 100.000%  kept
          QD1   LEU  115 - HB    VAL   75  13.63 +/- 1.62   0.002% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 895 (0.13, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 84.5:
    * O T QG2   VAL   75 - HB    VAL   75   2.13 +/- 0.01  99.985% * 99.0442% (1.00  10.0 10.00   3.31  84.48) = 100.000%  kept
        T QG2   VAL   42 - HB    VAL   75   9.66 +/- 0.88   0.015% *  0.9558% (0.97   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 896 (3.71, 0.44, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.5:
    * O T HA    VAL   75 - QG1   VAL   75   2.78 +/- 0.22  99.951% * 99.6578% (1.00  10.0 10.00   4.00  84.48) = 100.000%  kept
        T HA    ALA   61 - QG1   VAL   75  12.84 +/- 1.33   0.016% *  0.2219% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG1   VAL   75  13.59 +/- 1.53   0.012% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG1   VAL   75  12.27 +/- 1.20   0.018% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QG1   VAL   75  15.74 +/- 1.28   0.004% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 897 (1.00, 0.44, 21.81 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 84.5:
    * O T HB    VAL   75 - QG1   VAL   75   2.13 +/- 0.01  99.841% * 99.7607% (1.00  10.0 10.00   3.44  84.48) = 100.000%  kept
          HG3   LYS+  74 - QG1   VAL   75   6.63 +/- 0.60   0.139% *  0.0308% (0.31   1.0  1.00   0.02  32.03) =   0.000%
          QG2   ILE  103 - QG1   VAL   75  11.05 +/- 1.44   0.007% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QG1   VAL   75  11.52 +/- 1.27   0.005% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QG1   VAL   75  12.47 +/- 1.01   0.003% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   75  12.90 +/- 1.17   0.003% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL   75  14.54 +/- 1.86   0.002% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 898 (0.44, 0.44, 21.81 ppm):
    1 diagonal assignment:
    *     QG1   VAL   75 - QG1   VAL   75  (1.00)  kept
 
    Peak 899 (0.13, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.5:
    * O T QG2   VAL   75 - QG1   VAL   75   2.08 +/- 0.03  99.985% * 99.9036% (1.00  10.0 10.00   4.00  84.48) = 100.000%  kept
          QG2   VAL   42 - QG1   VAL   75   9.19 +/- 0.61   0.015% *  0.0964% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 900 (3.71, 0.13, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.5:
    * O T HA    VAL   75 - QG2   VAL   75   2.47 +/- 0.46  99.902% * 99.8572% (1.00  10.0 10.00   4.00  84.48) = 100.000%  kept
          HD3   PRO   58 - QG2   VAL   75  13.75 +/- 2.19   0.057% *  0.0896% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QG2   VAL   75  12.08 +/- 1.48   0.022% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QG2   VAL   75  15.11 +/- 2.17   0.009% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   VAL   75  13.95 +/- 1.80   0.010% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (1.00, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 84.5:
    * O T HB    VAL   75 - QG2   VAL   75   2.13 +/- 0.01  99.754% * 99.7607% (1.00  10.0 10.00   3.31  84.48) = 100.000%  kept
          HG3   LYS+  74 - QG2   VAL   75   6.14 +/- 0.57   0.212% *  0.0308% (0.31   1.0  1.00   0.02  32.03) =   0.000%
          QD2   LEU   40 - QG2   VAL   75  10.33 +/- 1.47   0.011% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QG2   VAL   75  10.71 +/- 1.47   0.008% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QG2   VAL   75  11.22 +/- 1.16   0.006% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   75  12.57 +/- 1.95   0.005% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   VAL   75  13.63 +/- 2.12   0.004% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 902 (0.44, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.5:
    * O T QG1   VAL   75 - QG2   VAL   75   2.08 +/- 0.03  99.991% * 99.9055% (1.00  10.0 10.00   4.00  84.48) = 100.000%  kept
          QD1   LEU  115 - QG2   VAL   75  11.71 +/- 1.85   0.009% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 903 (0.13, 0.13, 21.81 ppm):
    1 diagonal assignment:
    *     QG2   VAL   75 - QG2   VAL   75  (1.00)  kept
 
    Peak 904 (5.02, 5.02, 52.40 ppm):
    2 diagonal assignments:
    *     HA    ASP-  76 - HA    ASP-  76  (1.00)  kept
          HA    LEU   67 - HA    LEU   67  (0.04)  kept
 
    Peak 905 (2.90, 5.02, 52.40 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.91, residual support = 36.3:
    * O T HB2   ASP-  76 - HA    ASP-  76   2.80 +/- 0.18  96.391% * 99.1090% (1.00  10.0 10.00   2.91  36.32) =  99.998%  kept
          HB2   ASP-  78 - HA    ASP-  76   5.46 +/- 0.49   2.127% *  0.0720% (0.73   1.0  1.00   0.02   3.21) =   0.002%
        T QE    LYS+  66 - HA    LEU   67   6.93 +/- 0.91   0.942% *  0.0362% (0.04   1.0 10.00   0.02  10.10) =   0.000%
          HB2   ASN   69 - HA    LEU   67   6.97 +/- 0.55   0.518% *  0.0159% (0.16   1.0  1.00   0.02   2.96) =   0.000%
        T QE    LYS+  33 - HA    LEU   67  14.74 +/- 2.60   0.015% *  0.0362% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    ASP-  76  18.23 +/- 1.30   0.001% *  0.2207% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HA    ASP-  76  21.10 +/- 1.10   0.001% *  0.2207% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LEU   67  21.80 +/- 1.17   0.000% *  0.1626% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  76  15.81 +/- 1.25   0.004% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  76  23.80 +/- 0.65   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LEU   67  25.42 +/- 1.27   0.000% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LEU   67  22.00 +/- 0.98   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 906 (2.24, 5.02, 52.40 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 2.99, residual support = 36.3:
    * O T HB3   ASP-  76 - HA    ASP-  76   2.82 +/- 0.22  99.819% * 99.2676% (0.87  10.0 10.00   2.99  36.32) = 100.000%  kept
          HG3   MET   92 - HA    ASP-  76  12.79 +/- 2.15   0.022% *  0.0993% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  76   9.88 +/- 1.73   0.094% *  0.0155% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    ASP-  76  13.44 +/- 1.50   0.012% *  0.0390% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  76  16.73 +/- 1.09   0.003% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LEU   67  13.81 +/- 1.80   0.011% *  0.0186% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   67  11.95 +/- 1.49   0.023% *  0.0070% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    ASP-  76  19.92 +/- 1.61   0.001% *  0.1134% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LEU   67  15.57 +/- 1.70   0.006% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - HA    LEU   67  22.07 +/- 0.89   0.000% *  0.1629% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  76  18.70 +/- 1.30   0.001% *  0.0430% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LEU   67  14.61 +/- 0.74   0.006% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP-  76  25.84 +/- 1.55   0.000% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   67  20.48 +/- 1.24   0.001% *  0.0143% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   67  23.90 +/- 1.35   0.000% *  0.0163% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   67  25.08 +/- 1.47   0.000% *  0.0025% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.03 A, kept.
 
    Peak 907 (5.02, 2.90, 42.19 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.91, residual support = 36.3:
    * O T HA    ASP-  76 - HB2   ASP-  76   2.80 +/- 0.18  99.015% * 99.3094% (1.00  10.0 10.00   2.91  36.32) =  99.999%  kept
        T HA    LEU   67 - QE    LYS+  66   6.93 +/- 0.91   0.967% *  0.0515% (0.05   1.0 10.00   0.02  10.10) =   0.001%
        T HA    LEU   67 - QE    LYS+  33  14.74 +/- 2.60   0.015% *  0.0369% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  76 - QE    LYS+  33  18.23 +/- 1.30   0.002% *  0.1481% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   67 - HB2   ASP-  76  21.80 +/- 1.17   0.001% *  0.2476% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP-  76 - QE    LYS+  66  21.10 +/- 1.10   0.001% *  0.2065% (0.21   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 36.3:
    * O T HB3   ASP-  76 - HB2   ASP-  76   1.75 +/- 0.00  99.850% * 98.9845% (0.87  10.0 10.00   2.91  36.32) = 100.000%  kept
          HB2   GLU-  29 - QE    LYS+  33   6.46 +/- 1.72   0.128% *  0.0130% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  66   8.50 +/- 1.75   0.016% *  0.0089% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ASP-  76  15.01 +/- 2.52   0.001% *  0.0990% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ASP-  76  10.92 +/- 1.96   0.003% *  0.0154% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  66  12.72 +/- 1.98   0.001% *  0.0235% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ASP-  76  15.92 +/- 1.63   0.000% *  0.0872% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  33  18.11 +/- 1.56   0.000% *  0.1476% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  33  12.84 +/- 1.94   0.001% *  0.0136% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   ASP-  76  15.23 +/- 1.34   0.000% *  0.0389% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  66  22.85 +/- 1.04   0.000% *  0.2058% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   ASP-  76  22.12 +/- 1.39   0.000% *  0.1131% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  66  18.79 +/- 1.85   0.000% *  0.0190% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  33  14.92 +/- 0.98   0.000% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   ASP-  76  20.96 +/- 1.19   0.000% *  0.0428% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  66  16.45 +/- 1.03   0.000% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  66  21.17 +/- 2.16   0.000% *  0.0206% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   ASP-  76  26.87 +/- 1.66   0.000% *  0.0914% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  33  20.46 +/- 1.60   0.000% *  0.0169% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  66  24.38 +/- 0.83   0.000% *  0.0181% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  33  22.08 +/- 2.07   0.000% *  0.0064% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  33  26.23 +/- 1.18   0.000% *  0.0148% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  33  22.18 +/- 1.94   0.000% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  66  24.00 +/- 1.63   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 910 (5.02, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.99, residual support = 36.3:
    * O T HA    ASP-  76 - HB3   ASP-  76   2.82 +/- 0.22 100.000% * 99.7513% (0.87  10.0 10.00   2.99  36.32) = 100.000%  kept
        T HA    LEU   67 - HB3   ASP-  76  22.07 +/- 0.89   0.000% *  0.2487% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 36.3:
    * O T HB2   ASP-  76 - HB3   ASP-  76   1.75 +/- 0.00  98.682% * 99.3726% (0.87  10.0 10.00   2.91  36.32) =  99.999%  kept
          HB2   ASP-  78 - HB3   ASP-  76   4.28 +/- 1.10   1.318% *  0.0722% (0.63   1.0  1.00   0.02   3.21) =   0.001%
        T QE    LYS+  33 - HB3   ASP-  76  18.11 +/- 1.56   0.000% *  0.2212% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HB3   ASP-  76  22.85 +/- 1.04   0.000% *  0.2212% (0.19   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  76  15.31 +/- 1.30   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  76  24.96 +/- 0.91   0.000% *  0.0974% (0.85   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 +/- 0.09  99.413% * 99.3000% (1.00  10.0 10.00   3.00  37.73) = 100.000%  kept
          HA    GLU-  79 - HA    THR   77   6.37 +/- 0.32   0.447% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HA    THR   77   8.78 +/- 1.63   0.080% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA    THR   77  10.37 +/- 0.91   0.027% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    THR   77  10.63 +/- 1.66   0.025% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    THR   77  15.52 +/- 2.01   0.003% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HA    THR   77  15.45 +/- 2.31   0.004% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HA    THR   77  19.62 +/- 2.70   0.001% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA    THR   77  30.34 +/- 4.40   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HA    THR   77  24.08 +/- 0.90   0.000% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    THR   77  24.27 +/- 1.49   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    THR   77  28.12 +/- 3.43   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.41 +/- 0.10  99.895% * 99.7982% (1.00  10.0 10.00   3.00  37.73) = 100.000%  kept
          QB    ALA   88 - HA    THR   77   9.03 +/- 1.04   0.045% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    THR   77   8.93 +/- 1.53   0.059% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    THR   77  20.32 +/- 3.14   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    THR   77  24.83 +/- 1.72   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    THR   77  27.24 +/- 1.30   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 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 +/- 0.09  99.799% * 99.9104% (1.00  10.0 10.00   3.00  37.73) = 100.000%  kept
          HD2   PRO   93 - HB    THR   77  10.49 +/- 2.34   0.196% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HB    THR   77  13.72 +/- 1.67   0.005% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 917 (4.28, 4.28, 68.30 ppm):
    1 diagonal assignment:
    *     HB    THR   77 - HB    THR   77  (1.00)  kept
 
    Peak 918 (1.30, 4.28, 68.30 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.84, residual support = 37.7:
    * O T QG2   THR   77 - HB    THR   77   2.16 +/- 0.01  99.956% * 99.5496% (1.00  10.0 10.00   2.84  37.73) = 100.000%  kept
          QB    ALA   88 - HB    THR   77   8.56 +/- 1.40   0.035% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HB    THR   77  10.90 +/- 1.47   0.008% *  0.2768% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB    THR   77  19.21 +/- 3.09   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB    THR   77  26.18 +/- 1.92   0.000% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB    THR   77  29.03 +/- 1.56   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 919 (3.58, 1.30, 23.34 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 37.7:
    * O T HA    THR   77 - QG2   THR   77   2.41 +/- 0.10  99.262% * 99.9104% (1.00  10.0 10.00   3.00  37.73) = 100.000%  kept
          HD2   PRO   93 - QG2   THR   77   7.48 +/- 1.58   0.717% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - QG2   THR   77  10.51 +/- 1.54   0.022% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 920 (4.28, 1.30, 23.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.84, residual support = 37.7:
    * O T HB    THR   77 - QG2   THR   77   2.16 +/- 0.01  99.757% * 99.3000% (1.00  10.0 10.00   2.84  37.73) = 100.000%  kept
          HA    ASP-  44 - QG2   THR   77   7.40 +/- 0.87   0.085% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   77   8.00 +/- 1.86   0.060% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   77   7.48 +/- 0.24   0.059% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   THR   77   9.66 +/- 1.84   0.018% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   77  11.00 +/- 1.63   0.009% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   77  11.06 +/- 1.93   0.011% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG2   THR   77  15.56 +/- 2.24   0.001% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG2   THR   77  19.82 +/- 1.00   0.000% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   77  25.89 +/- 3.42   0.000% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   THR   77  20.28 +/- 1.20   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   THR   77  23.85 +/- 2.59   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.27, residual support = 38.8:
    * O T HB2   ASP-  78 - HA    ASP-  78   2.93 +/- 0.19  97.940% * 99.6931% (1.00  10.0 10.00   3.27  38.78) =  99.998%  kept
          HB2   ASP-  76 - HA    ASP-  78   5.96 +/- 0.82   2.031% *  0.0724% (0.73   1.0  1.00   0.02   3.21) =   0.002%
          HB2   ASP-  86 - HA    ASP-  78  11.99 +/- 1.08   0.025% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  78  18.38 +/- 1.41   0.002% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  78  22.09 +/- 3.02   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  78  22.30 +/- 1.08   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  78  29.65 +/- 0.97   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 924 (2.78, 4.83, 56.44 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 38.8:
    * O T HB3   ASP-  78 - HA    ASP-  78   2.64 +/- 0.22  99.922% * 99.8720% (1.00  10.0 10.00   2.31  38.78) = 100.000%  kept
          QB    CYS   50 - HA    ASP-  78  10.64 +/- 1.85   0.049% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASP-  78  11.47 +/- 1.59   0.029% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASP-  78  26.91 +/- 1.69   0.000% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    ASP-  78  26.38 +/- 1.75   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (4.83, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.27, residual support = 38.8:
    * O T HA    ASP-  78 - HB2   ASP-  78   2.93 +/- 0.19  99.380% * 99.8154% (1.00  10.0 10.00   3.27  38.78) = 100.000%  kept
          HA    LEU   80 - HB2   ASP-  78   7.66 +/- 0.74   0.463% *  0.0486% (0.49   1.0  1.00   0.02   4.04) =   0.000%
          HA    THR   23 - HB2   ASP-  78  10.06 +/- 1.03   0.084% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB2   ASP-  78  10.44 +/- 1.34   0.073% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB2   ASP-  78  25.23 +/- 1.92   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.68, residual support = 38.8:
    * O T HB3   ASP-  78 - HB2   ASP-  78   1.75 +/- 0.00  99.988% * 99.8720% (1.00  10.0 10.00   2.68  38.78) = 100.000%  kept
          QB    CYS   50 - HB2   ASP-  78  10.23 +/- 2.50   0.008% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASP-  78  10.43 +/- 1.60   0.004% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASP-  78  26.33 +/- 1.75   0.000% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASP-  78  26.34 +/- 1.59   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 928 (4.83, 2.78, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 38.8:
    * O T HA    ASP-  78 - HB3   ASP-  78   2.64 +/- 0.22  99.753% * 99.8154% (1.00  10.0 10.00   2.31  38.78) = 100.000%  kept
          HA    LEU   80 - HB3   ASP-  78   8.14 +/- 0.74   0.172% *  0.0486% (0.49   1.0  1.00   0.02   4.04) =   0.000%
          HA    THR   23 - HB3   ASP-  78  10.67 +/- 1.04   0.037% *  0.0866% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP-  78  11.06 +/- 1.50   0.038% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB3   ASP-  78  25.43 +/- 2.45   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 929 (2.91, 2.78, 41.22 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.68, residual support = 38.8:
    * O T HB2   ASP-  78 - HB3   ASP-  78   1.75 +/- 0.00  99.597% * 99.6931% (1.00  10.0 10.00   2.68  38.78) = 100.000%  kept
          HB2   ASP-  76 - HB3   ASP-  78   5.13 +/- 1.10   0.402% *  0.0724% (0.73   1.0  1.00   0.02   3.21) =   0.000%
          HB2   ASP-  86 - HB3   ASP-  78  13.78 +/- 0.85   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  78  20.86 +/- 3.32   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  78  18.89 +/- 1.19   0.000% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  78  22.04 +/- 1.44   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  78  29.10 +/- 1.56   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 930 (2.78, 2.78, 41.22 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  78 - HB3   ASP-  78  (1.00)  kept
 
    Peak 931 (4.27, 4.27, 58.55 ppm):
    1 diagonal assignment:
    *     HA    GLU-  79 - HA    GLU-  79  (1.00)  kept
 
    Peak 932 (2.31, 4.27, 58.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.29, residual support = 55.3:
    * O T HB2   GLU-  79 - HA    GLU-  79   2.93 +/- 0.16  99.911% * 98.4729% (1.00  10.0 10.00   4.29  55.33) = 100.000%  kept
          HG2   MET   92 - HA    GLU-  79  16.49 +/- 3.48   0.033% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  79  18.23 +/- 3.29   0.032% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  79  12.59 +/- 1.72   0.022% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HA    GLU-  79  27.22 +/- 0.93   0.000% *  0.9503% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  79  26.14 +/- 4.17   0.001% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  79  22.62 +/- 3.17   0.001% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 933 (2.38, 4.27, 58.55 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.48, residual support = 55.3:
    * O T QG    GLU-  79 - HA    GLU-  79   2.36 +/- 0.25  99.999% * 99.7507% (1.00  10.0 10.00   3.48  55.33) = 100.000%  kept
          QG    GLN   32 - HA    GLU-  79  20.41 +/- 1.28   0.000% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  79  21.67 +/- 2.26   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLU-  79  23.46 +/- 2.11   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU-  79  28.75 +/- 2.43   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    GLU-  79  29.11 +/- 1.96   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 934 (4.27, 2.31, 31.53 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.29, residual support = 55.3:
    * O T HA    GLU-  79 - HB2   GLU-  79   2.93 +/- 0.16  99.637% * 99.4064% (1.00  10.0 10.00   4.29  55.33) = 100.000%  kept
          HB    THR   77 - HB2   GLU-  79   7.80 +/- 0.44   0.312% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  79  12.53 +/- 1.03   0.023% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  79  12.71 +/- 1.07   0.020% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  79  18.36 +/- 2.57   0.003% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  79  17.17 +/- 2.01   0.003% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLU-  79  26.81 +/- 5.18   0.001% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  79  22.16 +/- 2.38   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  79  23.99 +/- 1.21   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.45, residual support = 55.3:
    * O T QG    GLU-  79 - HB2   GLU-  79   2.28 +/- 0.10  99.999% * 99.7507% (1.00  10.0 10.00   3.45  55.33) = 100.000%  kept
          QG    GLN   32 - HB2   GLU-  79  19.05 +/- 1.65   0.000% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  79  19.93 +/- 1.53   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLU-  79  21.43 +/- 1.85   0.000% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLU-  79  27.16 +/- 1.85   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLU-  79  27.07 +/- 1.76   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 937 (4.27, 2.38, 37.37 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.48, residual support = 55.3:
    * O T HA    GLU-  79 - QG    GLU-  79   2.36 +/- 0.25  99.919% * 99.4064% (1.00  10.0 10.00   3.48  55.33) = 100.000%  kept
          HB    THR   77 - QG    GLU-  79   8.57 +/- 0.49   0.060% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG    GLU-  79  12.87 +/- 1.66   0.010% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  79  12.11 +/- 1.11   0.008% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  79  16.91 +/- 1.71   0.001% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  79  18.04 +/- 2.45   0.001% *  0.0940% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG    GLU-  79  23.61 +/- 4.51   0.001% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  79  20.95 +/- 2.42   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  79  22.11 +/- 1.25   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 938 (2.31, 2.38, 37.37 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.45, residual support = 55.3:
    * O T HB2   GLU-  79 - QG    GLU-  79   2.28 +/- 0.10  99.959% * 99.5443% (1.00  10.0 10.00   3.45  55.33) = 100.000%  kept
          HG3   GLU-  25 - QG    GLU-  79   9.86 +/- 1.90   0.026% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QG    GLU-  79  15.85 +/- 3.11   0.010% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - QG    GLU-  79  17.29 +/- 2.65   0.004% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU- 114 - QG    GLU-  79  20.51 +/- 2.86   0.001% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG    GLU-  79  21.67 +/- 3.80   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG    GLU-  79  22.70 +/- 1.17   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 939 (2.38, 2.38, 37.37 ppm):
    1 diagonal assignment:
    *     QG    GLU-  79 - QG    GLU-  79  (1.00)  kept
 
    Peak 940 (4.81, 4.81, 52.21 ppm):
    1 diagonal assignment:
    *     HA    LEU   80 - HA    LEU   80  (1.00)  kept
 
    Peak 942 (0.56, 4.81, 52.21 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 5.57, residual support = 80.0:
    *   T QD1   LEU   80 - HA    LEU   80   2.58 +/- 0.61  99.904% * 98.6414% (0.65 10.00   5.58  80.01) = 100.000%  kept
        T QD2   LEU   98 - HA    LEU   80  14.67 +/- 3.29   0.010% *  0.9864% (0.65 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    LEU   80  10.50 +/- 1.78   0.069% *  0.0520% (0.34  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   80  13.66 +/- 2.15   0.013% *  0.1274% (0.84  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   80  18.84 +/- 1.23   0.001% *  0.1408% (0.92  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    LEU   80  17.25 +/- 1.64   0.003% *  0.0520% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 943 (4.81, 1.41, 40.36 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.02, residual support = 80.0:
    * O   HA    LEU   80 - HB2   LEU   80   2.73 +/- 0.30  85.895% * 99.6992% (1.00  10.0   5.02  80.01) =  99.985%  kept
          HB    THR   23 - HB2   LEU   80   5.96 +/- 2.35   9.722% *  0.0962% (0.97   1.0   0.02   5.63) =   0.011%
          HA    THR   23 - HB2   LEU   80   5.33 +/- 1.89   4.025% *  0.0798% (0.80   1.0   0.02   5.63) =   0.004%
          HA    ASP-  78 - HB2   LEU   80   7.52 +/- 0.78   0.358% *  0.0485% (0.49   1.0   0.02   4.04) =   0.000%
          HA    ASP- 105 - HB2   LEU   80  21.80 +/- 3.06   0.001% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 944 (1.41, 1.41, 40.36 ppm):
    1 diagonal assignment:
    *     HB2   LEU   80 - HB2   LEU   80  (1.00)  kept
 
    Peak 945 (0.56, 1.41, 40.36 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 5.24, residual support = 80.0:
    * O T QD1   LEU   80 - HB2   LEU   80   2.75 +/- 0.42  99.803% * 97.5236% (0.65  10.0 10.00   5.24  80.01) =  99.999%  kept
        T QG2   VAL   41 - HB2   LEU   80  12.16 +/- 2.29   0.028% *  1.2592% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   98 - HB2   LEU   80  13.15 +/- 3.52   0.021% *  0.9752% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   LEU   80   9.09 +/- 1.90   0.139% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   80  17.05 +/- 1.75   0.003% *  0.1392% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB2   LEU   80  15.47 +/- 2.18   0.006% *  0.0514% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.09 A, kept.
 
    Peak 946 (4.81, 0.56, 25.66 ppm):
    10 chemical-shift based assignments, quality = 0.64, support = 5.32, residual support = 75.3:
    *   T HA    LEU   80 - QD1   LEU   80   2.58 +/- 0.61  48.478% * 88.9202% (0.65 10.00   5.58  80.01) =  93.627%  kept
          HA    THR   23 - QD1   LEU   80   3.52 +/- 2.42  38.475% *  6.3335% (0.52  1.00   1.78   5.63) =   5.293%  kept
          HB    THR   23 - QD1   LEU   80   4.07 +/- 2.22  12.521% *  3.9716% (0.62  1.00   0.93   5.63) =   1.080%  kept
          HA    ASP-  78 - QD1   LEU   80   6.85 +/- 1.00   0.453% *  0.0433% (0.31  1.00   0.02   4.04) =   0.000%
        T HA    LEU   80 - QD2   LEU   98  14.67 +/- 3.29   0.004% *  0.5097% (0.37 10.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - QD2   LEU   98   8.71 +/- 0.72   0.056% *  0.0390% (0.28  1.00   0.02   0.62) =   0.000%
          HA    THR   23 - QD2   LEU   98  12.74 +/- 1.68   0.007% *  0.0408% (0.30  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - QD2   LEU   98  14.14 +/- 1.63   0.003% *  0.0492% (0.36  1.00   0.02   0.02) =   0.000%
          HA    ASP- 105 - QD1   LEU   80  18.90 +/- 3.03   0.001% *  0.0680% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - QD2   LEU   98  17.64 +/- 2.28   0.001% *  0.0248% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 108.8:
    * O T QB    LYS+  81 - HA    LYS+  81   2.36 +/- 0.12  99.950% * 97.5498% (1.00  10.0 10.00   4.97 108.77) = 100.000%  kept
          HB3   GLN   90 - HA    LYS+  81   9.53 +/- 1.66   0.042% *  0.0967% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  81  19.53 +/- 3.92   0.001% *  0.8462% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  81  15.06 +/- 2.74   0.004% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  81  17.58 +/- 2.11   0.001% *  0.0973% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  81  19.40 +/- 2.92   0.001% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  81  17.36 +/- 1.55   0.001% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  81  29.78 +/- 1.71   0.000% *  0.7811% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  81  20.74 +/- 2.95   0.000% *  0.0708% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+  81  20.68 +/- 1.23   0.000% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  81  22.41 +/- 3.16   0.000% *  0.0815% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  81  24.49 +/- 2.04   0.000% *  0.0875% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+  81  29.36 +/- 1.54   0.000% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+  81  25.36 +/- 2.29   0.000% *  0.0132% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  81  32.22 +/- 1.74   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 951 (1.56, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.22, residual support = 108.8:
    * O T QG    LYS+  81 - HA    LYS+  81   2.49 +/- 0.45  99.994% * 98.1658% (1.00  10.0 10.00   5.22 108.77) = 100.000%  kept
        T HG2   LYS+ 106 - HA    LYS+  81  20.72 +/- 2.98   0.001% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+  81  22.70 +/- 1.46   0.000% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+  81  14.94 +/- 1.58   0.005% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  81  24.07 +/- 2.68   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.07 A, kept.
 
    Peak 952 (1.77, 4.10, 60.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 108.8:
    *   T QD    LYS+  81 - HA    LYS+  81   3.71 +/- 0.51  99.961% * 99.7569% (1.00 10.00   3.44 108.77) = 100.000%  kept
          HB    VAL   43 - HA    LYS+  81  14.83 +/- 1.50   0.036% *  0.0989% (0.99  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    LYS+  81  26.13 +/- 2.23   0.001% *  0.0995% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  81  23.85 +/- 1.62   0.002% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.03 A, kept.
 
    Peak 953 (3.11, 4.10, 60.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 108.8:
    *   T QE    LYS+  81 - HA    LYS+  81   3.18 +/- 0.65  99.976% * 99.9825% (1.00 10.00   3.44 108.77) = 100.000%  kept
          HB3   TRP   49 - HA    LYS+  81  14.61 +/- 2.67   0.024% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 5.01 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 = 108.8:
    * O T HA    LYS+  81 - QB    LYS+  81   2.36 +/- 0.12  99.888% * 98.7606% (1.00  10.0 10.00   4.97 108.77) = 100.000%  kept
        T HA    ARG+  54 - HB3   PRO   52   7.56 +/- 0.29   0.096% *  0.0733% (0.07   1.0 10.00   0.02   1.74) =   0.000%
        T HA    ARG+  54 - QB    LYS+  81  19.42 +/- 3.05   0.001% *  0.6389% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   PRO   52  12.15 +/- 1.92   0.011% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HB3   PRO   52  19.40 +/- 2.92   0.001% *  0.1133% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    LYS+  81  14.50 +/- 2.16   0.003% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - QB    LYS+  81  23.15 +/- 1.29   0.000% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  81  25.87 +/- 2.01   0.000% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB3   PRO   52  22.37 +/- 1.29   0.000% *  0.0175% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    LYS+  81  32.67 +/- 2.36   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    LYS+  81  27.96 +/- 0.81   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   PRO   52  26.52 +/- 2.20   0.000% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   PRO   52  34.25 +/- 2.46   0.000% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   PRO   52  25.90 +/- 1.56   0.000% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (1.87, 1.87, 32.96 ppm):
    2 diagonal assignments:
    *     QB    LYS+  81 - QB    LYS+  81  (1.00)  kept
          HB3   PRO   52 - HB3   PRO   52  (0.02)  kept
 
    Peak 956 (1.56, 1.87, 32.96 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.25, residual support = 108.8:
    * O T QG    LYS+  81 - QB    LYS+  81   2.08 +/- 0.02  99.967% * 97.8497% (1.00  10.0 10.00   5.25 108.77) = 100.000%  kept
        T HG2   LYS+ 106 - HB3   PRO   52  16.79 +/- 3.26   0.003% *  0.1113% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - QB    LYS+  81  20.37 +/- 2.65   0.000% *  0.9698% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+  81  21.02 +/- 1.63   0.000% *  0.8173% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   PRO   52  10.70 +/- 3.49   0.026% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - HB3   PRO   52  18.70 +/- 2.99   0.000% *  0.1122% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  81  15.05 +/- 1.33   0.001% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   PRO   52  14.33 +/- 1.94   0.002% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HB3   PRO   52  29.21 +/- 2.49   0.000% *  0.0938% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  81  23.52 +/- 2.55   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 957 (1.77, 1.87, 32.96 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 108.8:
    * O T QD    LYS+  81 - QB    LYS+  81   2.14 +/- 0.13  99.997% * 99.6151% (1.00  10.0 10.00   3.74 108.77) = 100.000%  kept
          HB    VAL   43 - QB    LYS+  81  15.00 +/- 1.38   0.001% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HB3   PRO   52  19.37 +/- 3.31   0.000% *  0.1143% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   52  24.67 +/- 3.88   0.001% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HB3   PRO   52  17.17 +/- 1.46   0.000% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    LYS+  81  24.89 +/- 2.11   0.000% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QB    LYS+  81  22.65 +/- 1.25   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   PRO   52  22.53 +/- 1.77   0.000% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 958 (3.11, 1.87, 32.96 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 108.8:
    *     QE    LYS+  81 - QB    LYS+  81   2.81 +/- 0.53  99.905% * 99.8347% (1.00   3.74 108.77) = 100.000%  kept
          HB3   TRP   49 - QB    LYS+  81  14.32 +/- 2.68   0.013% *  0.0934% (0.18   0.02   0.02) =   0.000%
          HB3   TRP   49 - HB3   PRO   52  10.48 +/- 1.29   0.077% *  0.0107% (0.02   0.02   2.70) =   0.000%
          QE    LYS+  81 - HB3   PRO   52  17.91 +/- 3.50   0.006% *  0.0612% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 959 (4.10, 1.56, 25.02 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 5.22, residual support = 108.8:
    * O T HA    LYS+  81 - QG    LYS+  81   2.49 +/- 0.45  99.716% * 98.8267% (1.00  10.0 10.00   5.22 108.77) = 100.000%  kept
          HA    GLU-  36 - HG2   LYS+  33   7.98 +/- 0.48   0.154% *  0.0464% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+  33   8.96 +/- 0.71   0.078% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+  33  22.70 +/- 1.46   0.000% *  0.4732% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+ 106  20.72 +/- 2.98   0.001% *  0.2174% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    LYS+  81  14.76 +/- 2.29   0.008% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+ 106  10.37 +/- 0.54   0.034% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    LYS+  81  18.57 +/- 3.12   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+ 106  19.10 +/- 2.40   0.001% *  0.0141% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+ 106  19.06 +/- 2.02   0.001% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+  33  23.83 +/- 4.51   0.001% *  0.0362% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  81  26.01 +/- 2.03   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+  33  19.96 +/- 2.17   0.001% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   LYS+ 106  23.03 +/- 1.07   0.000% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+  33  27.02 +/- 2.51   0.000% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+ 106  17.80 +/- 1.32   0.001% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QG    LYS+  81  22.87 +/- 1.32   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+ 106  19.79 +/- 1.39   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QG    LYS+  81  32.37 +/- 2.22   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+  33  24.74 +/- 1.89   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QG    LYS+  81  27.29 +/- 0.99   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 960 (1.87, 1.56, 25.02 ppm):
    45 chemical-shift based assignments, quality = 0.821, support = 5.33, residual support = 118.9:
    * O T QB    LYS+  81 - QG    LYS+  81   2.08 +/- 0.02  45.134% * 57.8388% (1.00  10.0 10.00   5.25 108.77) =  71.328%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.30 +/- 0.11  25.532% * 26.7248% (0.46  10.0 10.00   5.67 148.41) =  18.644%  kept
      O T QB    LYS+ 106 - HG2   LYS+ 106   2.25 +/- 0.10  28.903% * 12.6979% (0.22  10.0 10.00   5.25 135.79) =  10.028%  kept
          HB3   GLN   30 - HG2   LYS+  33   5.75 +/- 0.87   0.231% *  0.0104% (0.18   1.0  1.00   0.02   0.17) =   0.000%
          HB    ILE  103 - HG2   LYS+ 106   6.00 +/- 1.19   0.122% *  0.0106% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+ 106   6.57 +/- 0.55   0.061% *  0.0114% (0.20   1.0  1.00   0.02  21.58) =   0.000%
          HB3   GLN   90 - QG    LYS+  81  10.21 +/- 1.99   0.008% *  0.0573% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  17.57 +/- 1.81   0.000% *  0.5771% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  18.99 +/- 1.56   0.000% *  0.5582% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.06 +/- 1.21   0.003% *  0.0157% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  18.37 +/- 1.42   0.000% *  0.2763% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+ 106  16.79 +/- 3.26   0.001% *  0.0196% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  18.27 +/- 3.74   0.000% *  0.0502% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QG    LYS+  81  18.70 +/- 2.99   0.000% *  0.0892% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  21.02 +/- 1.63   0.000% *  0.2769% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  19.26 +/- 0.96   0.000% *  0.1228% (0.21   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  20.37 +/- 2.65   0.000% *  0.1273% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  15.32 +/- 2.50   0.001% *  0.0144% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  16.26 +/- 1.76   0.000% *  0.0217% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  16.89 +/- 2.20   0.000% *  0.0222% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  14.33 +/- 1.37   0.001% *  0.0092% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  19.98 +/- 2.78   0.000% *  0.0420% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  12.94 +/- 1.21   0.001% *  0.0032% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  17.53 +/- 2.30   0.000% *  0.0126% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.66 +/- 1.33   0.000% *  0.0231% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  22.06 +/- 2.82   0.000% *  0.0483% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  20.05 +/- 1.69   0.000% *  0.0248% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  20.51 +/- 2.74   0.000% *  0.0110% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  23.79 +/- 1.74   0.000% *  0.0519% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  19.69 +/- 2.53   0.000% *  0.0102% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  19.01 +/- 1.08   0.000% *  0.0072% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  18.12 +/- 1.00   0.000% *  0.0048% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  27.68 +/- 1.38   0.000% *  0.0463% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  19.05 +/- 2.32   0.000% *  0.0017% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 106  17.07 +/- 1.39   0.000% *  0.0020% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+  33  29.21 +/- 2.49   0.000% *  0.0427% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  25.57 +/- 2.25   0.000% *  0.0201% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  27.46 +/- 1.56   0.000% *  0.0327% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  28.16 +/- 3.20   0.000% *  0.0240% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  23.75 +/- 2.49   0.000% *  0.0078% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  27.82 +/- 1.34   0.000% *  0.0274% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+  33  25.54 +/- 3.04   0.000% *  0.0043% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.98 +/- 1.37   0.000% *  0.0069% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  26.39 +/- 2.33   0.000% *  0.0037% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG    LYS+  81  30.34 +/- 1.64   0.000% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 961 (1.56, 1.56, 25.02 ppm):
    3 diagonal assignments:
    *     QG    LYS+  81 - QG    LYS+  81  (1.00)  kept
          HG2   LYS+  33 - HG2   LYS+  33  (0.40)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.22)  kept
 
    Peak 962 (1.77, 1.56, 25.02 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.08, residual support = 108.8:
    * O T QD    LYS+  81 - QG    LYS+  81   2.07 +/- 0.02  99.976% * 98.8994% (1.00  10.0 10.00   4.08 108.77) = 100.000%  kept
          HB    VAL   43 - HG2   LYS+ 106   9.23 +/- 1.26   0.017% *  0.0216% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QG    LYS+  81  15.01 +/- 1.29   0.001% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+ 106  11.56 +/- 0.77   0.003% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+  33  14.01 +/- 1.38   0.001% *  0.0469% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+  33  14.52 +/- 1.64   0.001% *  0.0472% (0.48   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+  33  22.58 +/- 1.84   0.000% *  0.4735% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+ 106  21.70 +/- 2.77   0.000% *  0.2176% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+  33  16.06 +/- 1.74   0.001% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG    LYS+  81  21.67 +/- 1.30   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    LYS+  81  25.02 +/- 1.93   0.000% *  0.0987% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 106  23.12 +/- 0.73   0.000% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 963 (3.11, 1.56, 25.02 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.08, residual support = 108.8:
    * O   QE    LYS+  81 - QG    LYS+  81   2.19 +/- 0.16  99.992% * 99.9005% (1.00  10.0   4.08 108.77) = 100.000%  kept
          HB3   TRP   49 - QG    LYS+  81  13.56 +/- 3.01   0.005% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+ 106  22.11 +/- 3.79   0.002% *  0.0038% (0.04   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+  33  22.28 +/- 1.98   0.000% *  0.0478% (0.48   1.0   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+ 106  20.49 +/- 2.70   0.000% *  0.0220% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+  33  29.62 +/- 3.37   0.000% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 964 (4.10, 1.77, 29.62 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 108.8:
    *   T HA    LYS+  81 - QD    LYS+  81   3.71 +/- 0.51  99.951% * 99.7133% (1.00 10.00   3.44 108.77) = 100.000%  kept
          HA    ARG+  54 - QD    LYS+  81  19.61 +/- 3.34   0.012% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD    LYS+  81  16.20 +/- 2.41   0.034% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  81  27.49 +/- 2.30   0.001% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QD    LYS+  81  24.04 +/- 1.57   0.002% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QD    LYS+  81  33.92 +/- 2.30   0.000% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QD    LYS+  81  28.91 +/- 1.17   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.02 A, kept.
 
    Peak 965 (1.87, 1.77, 29.62 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 108.8:
    * O T QB    LYS+  81 - QD    LYS+  81   2.14 +/- 0.13  99.961% * 98.9997% (1.00  10.0 10.00   3.74 108.77) = 100.000%  kept
          HB3   GLN   90 - QD    LYS+  81  10.23 +/- 2.30   0.035% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  81  19.24 +/- 4.01   0.001% *  0.0859% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QD    LYS+  81  19.37 +/- 3.31   0.000% *  0.1528% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  81  15.96 +/- 2.78   0.002% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  81  18.57 +/- 1.98   0.000% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  81  20.45 +/- 1.70   0.000% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  81  17.95 +/- 1.88   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  81  21.07 +/- 2.91   0.000% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  81  23.17 +/- 2.99   0.000% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  81  25.10 +/- 1.94   0.000% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  81  29.34 +/- 1.69   0.000% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  81  29.01 +/- 1.74   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  81  25.04 +/- 2.66   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD    LYS+  81  31.77 +/- 1.75   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 966 (1.56, 1.77, 29.62 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.08, residual support = 108.8:
    * O T QG    LYS+  81 - QD    LYS+  81   2.07 +/- 0.02  99.999% * 98.1658% (1.00  10.0 10.00   4.08 108.77) = 100.000%  kept
        T HG2   LYS+ 106 - QD    LYS+  81  21.70 +/- 2.77   0.000% *  0.9730% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  81  22.58 +/- 1.84   0.000% *  0.8199% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  81  15.84 +/- 1.21   0.001% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  81  24.14 +/- 2.56   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 967 (1.77, 1.77, 29.62 ppm):
    1 diagonal assignment:
    *     QD    LYS+  81 - QD    LYS+  81  (1.00)  kept
 
    Peak 968 (3.11, 1.77, 29.62 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 108.8:
    * O   QE    LYS+  81 - QD    LYS+  81   2.10 +/- 0.03  99.997% * 99.9825% (1.00  10.0   3.00 108.77) = 100.000%  kept
          HB3   TRP   49 - QD    LYS+  81  13.93 +/- 3.24   0.003% *  0.0175% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 108.8:
    *   T HA    LYS+  81 - QE    LYS+  81   3.18 +/- 0.65  99.940% * 99.7133% (1.00 10.00   3.44 108.77) = 100.000%  kept
          HA    ARG+  54 - QE    LYS+  81  18.21 +/- 3.39   0.025% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    LYS+  81  15.97 +/- 2.47   0.032% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  81  27.20 +/- 2.35   0.001% *  0.0977% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QE    LYS+  81  22.61 +/- 1.75   0.001% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QE    LYS+  81  32.78 +/- 2.10   0.000% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QE    LYS+  81  27.77 +/- 1.50   0.000% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.03 A, kept.
 
    Peak 973 (3.11, 3.11, 42.12 ppm):
    1 diagonal assignment:
    *     QE    LYS+  81 - QE    LYS+  81  (1.00)  kept
 
    Peak 974 (4.20, 4.20, 61.23 ppm):
    2 diagonal assignments:
    *     HA    SER   82 - HA    SER   82  (1.00)  kept
          HA    GLU-  25 - HA    GLU-  25  (0.20)  kept
 
    Peak 975 (3.99, 4.20, 61.23 ppm):
    20 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 34.8:
    * O T HB2   SER   82 - HA    SER   82   2.72 +/- 0.13  99.187% * 97.1708% (0.95  10.0 10.00   2.96  34.82) =  99.999%  kept
        T HB2   SER   82 - HA    GLU-  25   8.76 +/- 1.84   0.134% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    GLU-  25   6.85 +/- 0.49   0.469% *  0.0289% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    SER   82   7.98 +/- 0.52   0.171% *  0.0785% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    SER   82  16.40 +/- 2.46   0.003% *  0.9717% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    GLU-  25  11.50 +/- 0.45   0.019% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    GLU-  25  20.30 +/- 2.51   0.001% *  0.3148% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    SER   82  16.92 +/- 1.88   0.002% *  0.0891% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    GLU-  25  13.63 +/- 0.56   0.007% *  0.0242% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    GLU-  25  19.47 +/- 0.67   0.001% *  0.1368% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    SER   82  25.20 +/- 1.31   0.000% *  0.4223% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   82  19.90 +/- 2.64   0.001% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    GLU-  25  17.04 +/- 0.43   0.002% *  0.0298% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    GLU-  25  17.04 +/- 1.05   0.002% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    SER   82  21.49 +/- 1.00   0.000% *  0.0921% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    SER   82  20.40 +/- 2.47   0.001% *  0.0540% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   82  22.89 +/- 2.10   0.000% *  0.0746% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    GLU-  25  25.17 +/- 1.74   0.000% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   82  29.36 +/- 1.25   0.000% *  0.0422% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    GLU-  25  29.78 +/- 1.12   0.000% *  0.0137% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 976 (3.85, 4.20, 61.23 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 34.8:
    * O T HB3   SER   82 - HA    SER   82   2.91 +/- 0.18  99.595% * 98.8194% (1.00  10.0 10.00   2.00  34.82) =  99.999%  kept
        T HB3   SER   82 - HA    GLU-  25   8.69 +/- 1.92   0.250% *  0.3201% (0.32   1.0 10.00   0.02   0.02) =   0.001%
          HA    ILE   89 - HA    SER   82  10.86 +/- 0.49   0.040% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    GLU-  25   9.35 +/- 0.35   0.098% *  0.0181% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    SER   82  19.61 +/- 2.33   0.002% *  0.1956% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   82  18.59 +/- 1.73   0.002% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    GLU-  25  16.65 +/- 0.55   0.003% *  0.0267% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   82  21.51 +/- 2.56   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    GLU-  25  17.15 +/- 0.66   0.003% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    GLU-  25  19.97 +/- 3.22   0.002% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    GLU-  25  17.77 +/- 1.67   0.003% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   82  23.91 +/- 1.72   0.000% *  0.0825% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    GLU-  25  23.06 +/- 1.73   0.000% *  0.0634% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   82  27.00 +/- 2.97   0.000% *  0.0857% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   82  25.59 +/- 1.80   0.000% *  0.0679% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   82  25.63 +/- 1.63   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    GLU-  25  26.61 +/- 1.79   0.000% *  0.0207% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    GLU-  25  26.21 +/- 1.64   0.000% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 977 (4.20, 3.99, 61.93 ppm):
    15 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 34.8:
    * O T HA    SER   82 - HB2   SER   82   2.72 +/- 0.13  99.757% * 97.8439% (0.95  10.0 10.00   2.96  34.82) =  99.999%  kept
        T HA    GLU-  25 - HB2   SER   82   8.76 +/- 1.84   0.135% *  0.5935% (0.57   1.0 10.00   0.02   0.02) =   0.001%
        T HA    SER   82 - HA    SER   48  16.40 +/- 2.46   0.003% *  0.5372% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    SER   48  10.10 +/- 1.38   0.069% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    SER   48  20.30 +/- 2.51   0.001% *  0.3259% (0.32   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    VAL   70  11.58 +/- 0.91   0.020% *  0.0128% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    VAL   70  19.47 +/- 0.67   0.001% *  0.2061% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    VAL   70  13.21 +/- 0.48   0.008% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    SER   48  17.71 +/- 3.29   0.003% *  0.0202% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   82 - HA    VAL   70  25.20 +/- 1.31   0.000% *  0.3397% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   SER   82  18.72 +/- 1.23   0.001% *  0.0367% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    SER   48  20.41 +/- 1.97   0.001% *  0.0149% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   SER   82  21.45 +/- 2.28   0.001% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    VAL   70  20.65 +/- 1.34   0.001% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB2   SER   82  27.80 +/- 1.25   0.000% *  0.0272% (0.26   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 978 (3.99, 3.99, 61.93 ppm):
    3 diagonal assignments:
    *     HB2   SER   82 - HB2   SER   82  (0.89)  kept
          HA    SER   48 - HA    SER   48  (0.49)  kept
          HA    VAL   70 - HA    VAL   70  (0.14)  kept
 
    Peak 979 (3.85, 3.99, 61.93 ppm):
    27 chemical-shift based assignments, quality = 0.946, support = 2.33, residual support = 34.8:
    * O T HB3   SER   82 - HB2   SER   82   1.75 +/- 0.00  99.663% * 96.7159% (0.95  10.0 10.00   2.33  34.82) = 100.000%  kept
          HB    THR   39 - HA    VAL   70   5.33 +/- 1.08   0.275% *  0.0281% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    VAL   70   8.82 +/- 1.29   0.010% *  0.2307% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    SER   48   9.25 +/- 1.08   0.006% *  0.3435% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    SER   48   7.62 +/- 1.51   0.039% *  0.0105% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    VAL   70  13.30 +/- 2.29   0.001% *  0.2913% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    SER   48  16.75 +/- 2.85   0.001% *  0.5310% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   48  12.72 +/- 2.36   0.002% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   82  12.39 +/- 0.73   0.001% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    VAL   70  11.76 +/- 0.79   0.001% *  0.0190% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HB2   SER   82  22.54 +/- 2.49   0.000% *  0.6257% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   SER   82  16.44 +/- 2.00   0.000% *  0.0548% (0.54   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    VAL   70  23.16 +/- 1.53   0.000% *  0.3358% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    VAL   70  25.94 +/- 2.32   0.000% *  0.2172% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    VAL   70  15.40 +/- 1.56   0.000% *  0.0104% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   SER   82  22.22 +/- 2.04   0.000% *  0.0808% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   48  24.86 +/- 4.23   0.000% *  0.0461% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   SER   82  25.27 +/- 3.10   0.000% *  0.0839% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   SER   82  23.68 +/- 2.08   0.000% *  0.0664% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   SER   82  20.16 +/- 2.40   0.000% *  0.0191% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   48  20.57 +/- 2.13   0.000% *  0.0164% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   48  23.30 +/- 2.29   0.000% *  0.0301% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    VAL   70  23.12 +/- 2.33   0.000% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   48  25.96 +/- 1.89   0.000% *  0.0444% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   82  25.75 +/- 1.85   0.000% *  0.0299% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   48  28.90 +/- 2.10   0.000% *  0.0365% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    VAL   70  21.56 +/- 1.24   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 980 (4.20, 3.85, 61.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 34.8:
    * O T HA    SER   82 - HB3   SER   82   2.91 +/- 0.18  99.746% * 99.1601% (1.00  10.0 10.00   2.00  34.82) =  99.998%  kept
        T HA    GLU-  25 - HB3   SER   82   8.69 +/- 1.92   0.251% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.002%
        T HA    CYS   53 - HB3   SER   82  20.90 +/- 2.38   0.001% *  0.1737% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HB3   SER   82  18.34 +/- 1.49   0.002% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB3   SER   82  27.21 +/- 1.53   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (3.99, 3.85, 61.93 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.33, residual support = 34.8:
    * O T HB2   SER   82 - HB3   SER   82   1.75 +/- 0.00  99.995% * 97.6038% (0.95  10.0 10.00   2.33  34.82) = 100.000%  kept
        T HA    SER   48 - HB3   SER   82  16.75 +/- 2.85   0.001% *  0.9760% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   SER   82   9.84 +/- 0.49   0.003% *  0.0789% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB3   SER   82  14.36 +/- 2.07   0.000% *  0.0895% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HB3   SER   82  20.91 +/- 2.53   0.000% *  0.5429% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB3   SER   82  17.49 +/- 2.83   0.000% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   82  23.16 +/- 1.53   0.000% *  0.4242% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   SER   82  19.69 +/- 1.39   0.000% *  0.0925% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   82  20.35 +/- 2.25   0.000% *  0.0749% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   82  28.76 +/- 1.64   0.000% *  0.0424% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 982 (3.85, 3.85, 61.93 ppm):
    1 diagonal assignment:
    *     HB3   SER   82 - HB3   SER   82  (1.00)  kept
 
    Peak 983 (3.81, 3.81, 65.84 ppm):
    1 diagonal assignment:
    *     HA    VAL   83 - HA    VAL   83  (1.00)  kept
 
    Peak 984 (1.66, 3.81, 65.84 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 87.3:
    * O T HB    VAL   83 - HA    VAL   83   2.91 +/- 0.15  99.971% * 96.5761% (0.90  10.0 10.00   3.97  87.28) = 100.000%  kept
        T HD2   LYS+  74 - HA    VAL   83  13.91 +/- 1.63   0.012% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   57 - HA    VAL   83  17.59 +/- 1.78   0.003% *  0.4828% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    VAL   83  22.16 +/- 2.19   0.001% *  0.8230% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    VAL   83  23.46 +/- 1.58   0.000% *  1.0187% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    VAL   83  18.36 +/- 4.42   0.005% *  0.0404% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    VAL   83  16.32 +/- 1.83   0.005% *  0.0240% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    VAL   83  17.48 +/- 1.50   0.003% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    VAL   83  23.83 +/- 2.39   0.000% *  0.1039% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    VAL   83  23.98 +/- 2.80   0.000% *  0.0443% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    VAL   83  28.71 +/- 2.60   0.000% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    VAL   83  29.79 +/- 2.71   0.000% *  0.0213% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 985 (0.60, 3.81, 65.84 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.24, residual support = 87.3:
    * O T QG1   VAL   83 - HA    VAL   83   2.20 +/- 0.27  98.887% * 99.5865% (0.87  10.0 10.00   4.24  87.28) =  99.999%  kept
          QD2   LEU   80 - HA    VAL   83   5.51 +/- 0.85   0.905% *  0.0919% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          QG2   ILE   89 - HA    VAL   83   6.63 +/- 0.32   0.184% *  0.0286% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    VAL   83   9.66 +/- 1.44   0.019% *  0.0472% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   83  17.34 +/- 3.37   0.004% *  0.1108% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   83  15.87 +/- 1.77   0.001% *  0.0472% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   83  19.50 +/- 1.33   0.000% *  0.0877% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.02 A, kept.
 
    Peak 986 (0.08, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.45, residual support = 87.3:
    * O T QG2   VAL   83 - HA    VAL   83   2.70 +/- 0.23  97.591% * 99.8380% (1.00  10.0 10.00   4.45  87.28) =  99.998%  kept
          QD1   ILE   89 - HA    VAL   83   5.73 +/- 0.99   2.349% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.002%
          QD2   LEU   31 - HA    VAL   83  10.12 +/- 1.76   0.059% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 987 (3.81, 1.66, 32.03 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 87.3:
    * O T HA    VAL   83 - HB    VAL   83   2.91 +/- 0.15  99.991% * 97.8171% (0.90  10.0 10.00   3.97  87.28) = 100.000%  kept
        T HA    GLU- 100 - HB    VAL   83  21.27 +/- 3.14   0.001% *  0.9760% (0.89   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB    VAL   83  20.95 +/- 1.97   0.001% *  0.9695% (0.89   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB    VAL   83  15.61 +/- 2.26   0.006% *  0.0439% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB    VAL   83  21.83 +/- 1.87   0.001% *  0.1936% (0.18   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 988 (1.66, 1.66, 32.03 ppm):
    1 diagonal assignment:
    *     HB    VAL   83 - HB    VAL   83  (0.80)  kept
 
    Peak 989 (0.60, 1.66, 32.03 ppm):
    7 chemical-shift based assignments, quality = 0.778, support = 4.29, residual support = 87.3:
    * O T QG1   VAL   83 - HB    VAL   83   2.12 +/- 0.01  87.924% * 99.5865% (0.78  10.0 10.00   4.29  87.28) =  99.987%  kept
          QD2   LEU   80 - HB    VAL   83   3.61 +/- 0.98  11.866% *  0.0919% (0.72   1.0  1.00   0.02   0.02) =   0.012%
          QG2   ILE   89 - HB    VAL   83   6.19 +/- 0.71   0.179% *  0.0286% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB    VAL   83   8.82 +/- 1.43   0.027% *  0.0472% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   83  17.53 +/- 3.13   0.002% *  0.1108% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   83  14.98 +/- 1.87   0.001% *  0.0472% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   83  18.67 +/- 1.37   0.000% *  0.0877% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 990 (0.08, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.51, residual support = 87.3:
    * O T QG2   VAL   83 - HB    VAL   83   2.12 +/- 0.01  99.522% * 99.8380% (0.90  10.0 10.00   4.51  87.28) = 100.000%  kept
          QD1   ILE   89 - HB    VAL   83   6.05 +/- 1.36   0.465% *  0.0895% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    VAL   83   9.97 +/- 1.60   0.013% *  0.0725% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 991 (3.81, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.24, residual support = 87.3:
    * O T HA    VAL   83 - QG1   VAL   83   2.20 +/- 0.27  99.992% * 99.7372% (0.87  10.0 10.00   4.24  87.28) = 100.000%  kept
          HB2   CYS   53 - QG1   VAL   83  13.91 +/- 1.80   0.006% *  0.0447% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QG1   VAL   83  16.19 +/- 2.92   0.001% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG1   VAL   83  17.90 +/- 1.61   0.001% *  0.0989% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG1   VAL   83  16.65 +/- 1.90   0.001% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 992 (1.66, 0.60, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.778, support = 4.29, residual support = 87.3:
    * O T HB    VAL   83 - QG1   VAL   83   2.12 +/- 0.01  99.973% * 99.3915% (0.78  10.0 10.00   4.29  87.28) = 100.000%  kept
          HD2   LYS+  74 - QG1   VAL   83   9.85 +/- 1.47   0.016% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG1   VAL   83  15.05 +/- 3.53   0.002% *  0.0416% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG1   VAL   83  13.83 +/- 1.52   0.002% *  0.0497% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG1   VAL   83  13.32 +/- 1.80   0.003% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG1   VAL   83  12.83 +/- 1.26   0.003% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG1   VAL   83  17.34 +/- 1.80   0.000% *  0.0847% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG1   VAL   83  18.00 +/- 1.45   0.000% *  0.1048% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG1   VAL   83  19.08 +/- 2.09   0.000% *  0.1070% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG1   VAL   83  20.19 +/- 2.21   0.000% *  0.0456% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG1   VAL   83  22.84 +/- 2.32   0.000% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG1   VAL   83  23.66 +/- 2.48   0.000% *  0.0219% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.8, residual support = 87.3:
    * O T QG2   VAL   83 - QG1   VAL   83   2.04 +/- 0.05  99.360% * 99.0399% (0.87  10.0 10.00   4.80  87.28) =  99.995%  kept
        T QD1   ILE   89 - QG1   VAL   83   5.49 +/- 1.19   0.531% *  0.8882% (0.78   1.0 10.00   0.02   0.02) =   0.005%
          QD2   LEU   31 - QG1   VAL   83   7.03 +/- 1.54   0.108% *  0.0719% (0.63   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 995 (3.81, 0.08, 62.25 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.45, residual support = 87.3:
    * O T HA    VAL   83 - QG2   VAL   83   2.70 +/- 0.23  99.975% * 99.7372% (1.00  10.0 10.00   4.45  87.28) = 100.000%  kept
          HB2   CYS   53 - QG2   VAL   83  11.98 +/- 1.63   0.018% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG2   VAL   83  16.23 +/- 1.52   0.003% *  0.0989% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QG2   VAL   83  16.87 +/- 2.56   0.002% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG2   VAL   83  17.53 +/- 1.48   0.002% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 996 (1.66, 0.08, 62.25 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 4.51, residual support = 87.3:
    * O T HB    VAL   83 - QG2   VAL   83   2.12 +/- 0.01  99.958% * 99.3915% (0.90  10.0 10.00   4.51  87.28) = 100.000%  kept
          HD2   LYS+  74 - QG2   VAL   83   9.11 +/- 1.32   0.025% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG2   VAL   83  11.24 +/- 1.60   0.009% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QG2   VAL   83  12.50 +/- 1.46   0.003% *  0.0497% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG2   VAL   83  15.11 +/- 3.42   0.002% *  0.0416% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG2   VAL   83  17.35 +/- 1.32   0.000% *  0.1048% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG2   VAL   83  18.01 +/- 1.92   0.000% *  0.1070% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG2   VAL   83  14.01 +/- 1.15   0.001% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG2   VAL   83  18.02 +/- 1.46   0.000% *  0.0847% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG2   VAL   83  18.11 +/- 2.29   0.000% *  0.0456% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG2   VAL   83  21.89 +/- 2.12   0.000% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG2   VAL   83  22.76 +/- 2.21   0.000% *  0.0219% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 997 (0.60, 0.08, 62.25 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.8, residual support = 87.3:
    * O T QG1   VAL   83 - QG2   VAL   83   2.04 +/- 0.05  84.127% * 99.3306% (0.87  10.0 10.00   4.80  87.28) =  99.978%  kept
          QD2   LEU   80 - QG2   VAL   83   3.65 +/- 1.16  13.654% *  0.0917% (0.80   1.0  1.00   0.02   0.02) =   0.015%
        T QG2   ILE   89 - QG2   VAL   83   3.98 +/- 0.57   2.113% *  0.2855% (0.25   1.0 10.00   0.02   0.02) =   0.007%
          QD1   LEU   73 - QG2   VAL   83   6.96 +/- 1.02   0.078% *  0.0471% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - QG2   VAL   83  13.45 +/- 2.66   0.023% *  0.1105% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - QG2   VAL   83  11.33 +/- 1.48   0.004% *  0.0471% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   83  14.28 +/- 1.16   0.001% *  0.0875% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 998 (0.08, 0.08, 62.25 ppm):
    1 diagonal assignment:
    *     QG2   VAL   83 - QG2   VAL   83  (1.00)  kept
 
    Peak 999 (3.68, 3.68, 55.33 ppm):
    1 diagonal assignment:
    *     HA    ALA   84 - HA    ALA   84  (0.93)  kept
 
    Peak 1000 (1.35, 3.68, 55.33 ppm):
    17 chemical-shift based assignments, quality = 0.931, support = 2.98, residual support = 18.6:
    * O T QB    ALA   84 - HA    ALA   84   2.12 +/- 0.01  98.707% * 99.1332% (0.93  10.0 10.00   2.98  18.58) =  99.999%  kept
          HB3   LEU   80 - HA    ALA   84   5.98 +/- 1.46   1.281% *  0.0746% (0.70   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    ALA   84  12.13 +/- 1.01   0.003% *  0.0948% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   84  12.54 +/- 1.33   0.003% *  0.0972% (0.91   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   84  16.76 +/- 2.72   0.001% *  0.1025% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   84  13.09 +/- 1.08   0.002% *  0.0229% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   84  16.74 +/- 1.67   0.000% *  0.0582% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   84  17.03 +/- 2.72   0.001% *  0.0422% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   84  19.95 +/- 1.77   0.000% *  0.0858% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   84  20.32 +/- 2.40   0.000% *  0.0500% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   84  17.22 +/- 0.75   0.000% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   84  22.38 +/- 3.48   0.000% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ALA   84  26.90 +/- 1.96   0.000% *  0.1018% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   84  22.87 +/- 1.88   0.000% *  0.0317% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   84  24.32 +/- 1.82   0.000% *  0.0256% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   84  24.80 +/- 1.91   0.000% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   84  26.80 +/- 1.67   0.000% *  0.0180% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1001 (3.68, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.931, support = 2.98, residual support = 18.6:
    * O T HA    ALA   84 - QB    ALA   84   2.12 +/- 0.01  99.989% * 99.6067% (0.93  10.0 10.00   2.98  18.58) = 100.000%  kept
          HB2   TRP   49 - QB    ALA   84  11.81 +/- 2.04   0.009% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - QB    ALA   84  14.97 +/- 2.58   0.001% *  0.0862% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - QB    ALA   84  20.34 +/- 1.28   0.000% *  0.1030% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - QB    ALA   84  20.35 +/- 1.30   0.000% *  0.1012% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1002 (1.35, 1.35, 18.25 ppm):
    1 diagonal assignment:
    *     QB    ALA   84 - QB    ALA   84  (0.93)  kept
 
    Peak 1003 (4.28, 4.28, 61.37 ppm):
    1 diagonal assignment:
    *     HA    SER   85 - HA    SER   85  (1.00)  kept
 
    Peak 1004 (3.96, 4.28, 61.37 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.28, residual support = 18.1:
    * O T QB    SER   85 - HA    SER   85   2.35 +/- 0.10  51.315% * 98.0072% (1.00  10.0 10.00   2.28  18.15) =  99.974%  kept
          HA    ALA   88 - HA    SER   85   2.46 +/- 0.57  48.678% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.026%
        T QB    SER   48 - HA    SER   85  13.48 +/- 2.19   0.003% *  0.5944% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HA    SER   85  17.81 +/- 2.60   0.000% *  0.4771% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER   85  20.41 +/- 2.76   0.000% *  0.3343% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER   85  12.79 +/- 1.22   0.002% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HA    SER   85  15.49 +/- 2.38   0.001% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   85  23.97 +/- 1.40   0.000% *  0.1512% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   85  22.60 +/- 2.25   0.000% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   85  29.25 +/- 1.33   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER   85  30.45 +/- 1.14   0.000% *  0.0980% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   85  30.40 +/- 1.27   0.000% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   85  29.15 +/- 1.85   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.35 +/- 0.10  95.830% * 96.1605% (1.00  10.0 10.00   2.28  18.15) =  99.998%  kept
          HA    ASP-  86 - QB    SER   85   4.18 +/- 0.22   3.521% *  0.0361% (0.38   1.0  1.00   0.02  13.42) =   0.001%
          HB    THR   77 - QB    SER   48   7.93 +/- 2.87   0.460% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER   85   8.69 +/- 1.95   0.063% *  0.0962% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   48   8.93 +/- 0.98   0.045% *  0.1141% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER   48  13.48 +/- 2.19   0.005% *  0.2345% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   85  10.20 +/- 0.56   0.015% *  0.0661% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   48  10.17 +/- 3.26   0.034% *  0.0161% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   85  19.10 +/- 2.98   0.001% *  0.9426% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER  117  13.82 +/- 1.53   0.003% *  0.1454% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  19.28 +/- 2.38   0.001% *  0.4681% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   85  14.69 +/- 0.83   0.002% *  0.0953% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   48  22.29 +/- 2.84   0.000% *  0.2298% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   48  13.12 +/- 0.59   0.003% *  0.0232% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   85  24.62 +/- 1.52   0.000% *  0.5832% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER  117  13.97 +/- 1.35   0.003% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  18.90 +/- 1.95   0.001% *  0.0722% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  12.89 +/- 2.15   0.007% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER  117  19.78 +/- 1.85   0.000% *  0.0900% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   48  29.67 +/- 6.06   0.001% *  0.0230% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER  117  23.97 +/- 1.40   0.000% *  0.1484% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER   48  16.02 +/- 1.98   0.001% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   48  25.85 +/- 1.47   0.000% *  0.1422% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  13.97 +/- 0.65   0.002% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  20.75 +/- 2.02   0.000% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER  117  21.11 +/- 2.43   0.000% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   85  31.62 +/- 4.58   0.000% *  0.0943% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   48  27.30 +/- 5.10   0.000% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   85  30.24 +/- 3.76   0.000% *  0.0395% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   85  27.46 +/- 1.65   0.000% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER  117  26.06 +/- 2.80   0.000% *  0.0102% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   48  23.54 +/- 3.30   0.000% *  0.0072% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER  117  23.75 +/- 1.79   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER  117  25.33 +/- 1.23   0.000% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER  117  32.42 +/- 2.17   0.000% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER  117  30.03 +/- 2.04   0.000% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1006 (3.96, 3.96, 63.04 ppm):
    3 diagonal assignments:
    *     QB    SER   85 - QB    SER   85  (1.00)  kept
          QB    SER   48 - QB    SER   48  (0.15)  kept
          QB    SER  117 - QB    SER  117  (0.02)  kept
 
    Peak 1007 (4.30, 4.30, 57.50 ppm):
    1 diagonal assignment:
    *     HA    ASP-  86 - HA    ASP-  86  (1.00)  kept
 
    Peak 1008 (2.94, 4.30, 57.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.45, residual support = 41.6:
    * O T HB2   ASP-  86 - HA    ASP-  86   3.00 +/- 0.10  99.977% * 99.6568% (1.00  10.0 10.00   3.45  41.59) = 100.000%  kept
          HB2   ASN   28 - HA    ASP-  86  13.65 +/- 1.70   0.014% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    ASP-  86  19.97 +/- 2.96   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASP-  86  15.32 +/- 0.56   0.006% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  86  20.14 +/- 2.06   0.001% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  86  26.73 +/- 1.72   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1009 (2.44, 4.30, 57.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 41.6:
    * O T HB3   ASP-  86 - HA    ASP-  86   2.66 +/- 0.16  99.974% * 98.9853% (1.00  10.0 10.00   2.00  41.59) = 100.000%  kept
          HB3   PHE   45 - HA    ASP-  86  12.03 +/- 1.03   0.014% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    ASP-  86  13.90 +/- 2.78   0.009% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  86  17.14 +/- 1.77   0.002% *  0.0955% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HA    ASP-  86  26.75 +/- 0.89   0.000% *  0.7565% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    ASP-  86  24.25 +/- 2.32   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    ASP-  86  19.79 +/- 1.28   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  86  24.69 +/- 2.91   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1010 (4.30, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.45, residual support = 41.6:
    * O T HA    ASP-  86 - HB2   ASP-  86   3.00 +/- 0.10  97.502% * 99.5343% (1.00  10.0 10.00   3.45  41.59) =  99.999%  kept
          HA    SER   85 - HB2   ASP-  86   5.68 +/- 0.30   2.294% *  0.0374% (0.38   1.0  1.00   0.02  13.42) =   0.001%
          HB    THR   77 - HB2   ASP-  86   9.77 +/- 2.14   0.167% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ASP-  86  12.10 +/- 1.06   0.027% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  86  15.95 +/- 3.65   0.008% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ASP-  86  19.57 +/- 3.71   0.002% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   ASP-  86  26.76 +/- 2.14   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  86  30.09 +/- 4.45   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   ASP-  86  31.67 +/- 5.19   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1011 (2.94, 2.94, 40.49 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  86 - HB2   ASP-  86  (1.00)  kept
 
    Peak 1012 (2.44, 2.94, 40.49 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.82, residual support = 41.6:
    * O T HB3   ASP-  86 - HB2   ASP-  86   1.75 +/- 0.00  99.992% * 99.6638% (1.00  10.0 10.00   2.82  41.59) = 100.000%  kept
          HB3   PHE   45 - HB2   ASP-  86   9.62 +/- 1.29   0.006% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   ASP-  86  11.99 +/- 2.78   0.002% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  86  15.67 +/- 1.43   0.000% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   ASP-  86  17.68 +/- 1.38   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   ASP-  86  22.36 +/- 2.34   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   ASP-  86  24.15 +/- 0.91   0.000% *  0.0762% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  86  23.07 +/- 2.58   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1013 (4.30, 2.44, 40.49 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 41.6:
    * O T HA    ASP-  86 - HB3   ASP-  86   2.66 +/- 0.16  99.096% * 99.5343% (1.00  10.0 10.00   2.00  41.59) = 100.000%  kept
          HA    SER   85 - HB3   ASP-  86   6.13 +/- 0.40   0.816% *  0.0374% (0.38   1.0  1.00   0.02  13.42) =   0.000%
          HB    THR   77 - HB3   ASP-  86  10.72 +/- 2.14   0.070% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   ASP-  86  12.78 +/- 1.12   0.010% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  86  15.96 +/- 4.13   0.007% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   ASP-  86  19.65 +/- 4.17   0.002% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  86  27.18 +/- 2.32   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  86  30.43 +/- 4.57   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  86  31.93 +/- 5.34   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1014 (2.94, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.82, residual support = 41.6:
    * O T HB2   ASP-  86 - HB3   ASP-  86   1.75 +/- 0.00  99.998% * 99.6568% (1.00  10.0 10.00   2.82  41.59) = 100.000%  kept
          HB2   ASN   28 - HB3   ASP-  86  12.10 +/- 1.74   0.001% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB3   ASP-  86  18.36 +/- 2.95   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASP-  86  14.31 +/- 0.89   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  86  18.35 +/- 2.05   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  86  24.80 +/- 1.68   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1015 (2.44, 2.44, 40.49 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  86 - HB3   ASP-  86  (1.00)  kept
 
    Peak 1016 (4.34, 4.34, 57.63 ppm):
    1 diagonal assignment:
    *     HA    TRP   87 - HA    TRP   87  (1.00)  kept
 
    Peak 1017 (3.41, 4.34, 57.63 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.0:
    * O T HB2   TRP   87 - HA    TRP   87   2.29 +/- 0.15 100.000% * 99.9010% (1.00  10.0 10.00   4.31  74.00) = 100.000%  kept
          HB2   PHE   60 - HA    TRP   87  19.52 +/- 1.73   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1018 (2.50, 4.34, 57.63 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.0:
    * O T HB3   TRP   87 - HA    TRP   87   2.94 +/- 0.06  99.995% * 99.8563% (1.00  10.0 10.00   4.31  74.00) = 100.000%  kept
          HG2   GLU-  25 - HA    TRP   87  16.83 +/- 1.95   0.005% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    TRP   87  25.83 +/- 1.53   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1019 (4.34, 3.41, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.0:
    * O T HA    TRP   87 - HB2   TRP   87   2.29 +/- 0.15  99.998% * 99.8808% (1.00  10.0 10.00   4.31  74.00) = 100.000%  kept
          HA    LEU  104 - HB2   TRP   87  16.78 +/- 3.68   0.002% *  0.0411% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   TRP   87  20.07 +/- 1.11   0.000% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   TRP   87  27.83 +/- 2.43   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1020 (3.41, 3.41, 28.05 ppm):
    1 diagonal assignment:
    *     HB2   TRP   87 - HB2   TRP   87  (1.00)  kept
 
    Peak 1021 (2.50, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 74.0:
    * O T HB3   TRP   87 - HB2   TRP   87   1.75 +/- 0.00 100.000% * 99.8563% (1.00  10.0 10.00   4.00  74.00) = 100.000%  kept
          HG2   GLU-  25 - HB2   TRP   87  16.94 +/- 2.29   0.000% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   TRP   87  23.92 +/- 1.38   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1022 (4.34, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 74.0:
    * O T HA    TRP   87 - HB3   TRP   87   2.94 +/- 0.06  99.994% * 99.3033% (1.00  10.0 10.00   4.31  74.00) = 100.000%  kept
        T HA    PHE   59 - HB3   TRP   87  19.65 +/- 0.97   0.001% *  0.6424% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   TRP   87  17.69 +/- 3.29   0.005% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   TRP   87  27.42 +/- 2.29   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1023 (3.41, 2.50, 28.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 74.0:
    * O T HB2   TRP   87 - HB3   TRP   87   1.75 +/- 0.00 100.000% * 99.9010% (1.00  10.0 10.00   4.00  74.00) = 100.000%  kept
          HB2   PHE   60 - HB3   TRP   87  16.93 +/- 1.69   0.000% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.39, residual support = 12.2:
    * O T QB    ALA   88 - HA    ALA   88   2.13 +/- 0.01  99.909% * 99.6403% (1.00  10.0 10.00   2.39  12.20) = 100.000%  kept
          QG2   THR   77 - HA    ALA   88   7.53 +/- 1.61   0.078% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   88  10.09 +/- 1.22   0.013% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   88  19.26 +/- 2.03   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   88  20.62 +/- 2.44   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   88  26.26 +/- 2.26   0.000% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   88  29.01 +/- 2.32   0.000% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   88  23.01 +/- 1.66   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1027 (3.98, 1.31, 16.77 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.39, residual support = 12.2:
    * O T HA    ALA   88 - QB    ALA   88   2.13 +/- 0.01  99.323% * 97.3461% (1.00  10.0 10.00   2.39  12.20) =  99.999%  kept
        T HA    SER   48 - QB    ALA   88  13.36 +/- 2.91   0.072% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.001%
          QB    SER   85 - QB    ALA   88   5.06 +/- 0.26   0.592% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - QB    ALA   88  10.07 +/- 0.39   0.009% *  0.5511% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    ALA   88  13.92 +/- 2.50   0.003% *  0.8986% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   88  20.04 +/- 1.78   0.000% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   88  19.12 +/- 1.11   0.000% *  0.0436% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    ALA   88  19.89 +/- 1.32   0.000% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   88  22.75 +/- 1.58   0.000% *  0.0300% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA   88  24.49 +/- 1.35   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA   88  25.99 +/- 1.32   0.000% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 218.2:
    * O T HB    ILE   89 - HA    ILE   89   2.93 +/- 0.17  99.883% * 99.6008% (0.80  10.0 10.00   5.44 218.16) = 100.000%  kept
        T HB    VAL   43 - HA    ILE   89  11.59 +/- 2.21   0.048% *  0.2769% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    ILE   89  11.24 +/- 1.34   0.052% *  0.0218% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    ILE   89  13.45 +/- 2.05   0.016% *  0.0346% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ILE   89  22.30 +/- 2.10   0.001% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    ILE   89  22.13 +/- 2.48   0.001% *  0.0192% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1031 (0.63, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.43, residual support = 218.2:
    * O T QG2   ILE   89 - HA    ILE   89   2.39 +/- 0.24  99.928% * 99.9320% (1.00  10.0 10.00   6.43 218.16) = 100.000%  kept
          QG1   VAL   83 - HA    ILE   89   8.33 +/- 0.79   0.066% *  0.0526% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ILE   89  17.72 +/- 3.13   0.006% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1032 (1.22, 3.87, 59.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.8, residual support = 218.2:
    * O T HG12  ILE   89 - HA    ILE   89   3.13 +/- 0.51  99.897% * 99.3078% (1.00  10.0 10.00   5.80 218.16) = 100.000%  kept
          HG2   LYS+  74 - HA    ILE   89  13.52 +/- 2.94   0.082% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   89  16.28 +/- 2.31   0.012% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   89  23.89 +/- 2.38   0.001% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    ILE   89  19.74 +/- 2.37   0.003% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    ILE   89  20.72 +/- 2.43   0.002% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   89  21.70 +/- 2.69   0.002% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   89  22.18 +/- 2.61   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1033 (3.87, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 218.2:
    * O T HA    ILE   89 - HB    ILE   89   2.93 +/- 0.17  99.775% * 99.2091% (0.80  10.0 10.00   5.44 218.16) = 100.000%  kept
        T HA    ILE   89 - HB    VAL   43  11.59 +/- 2.21   0.048% *  0.2167% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    ILE   89  10.14 +/- 1.16   0.080% *  0.0681% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    VAL   43  12.56 +/- 0.75   0.018% *  0.0209% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    VAL   43  12.97 +/- 1.06   0.015% *  0.0173% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    VAL   43  13.50 +/- 2.18   0.017% *  0.0149% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    ILE   89  14.45 +/- 2.38   0.011% *  0.0196% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB    ILE   89  18.48 +/- 1.79   0.002% *  0.0794% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    VAL   43  15.75 +/- 0.86   0.005% *  0.0217% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    VAL   43  12.25 +/- 0.88   0.023% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB    ILE   89  23.11 +/- 1.91   0.000% *  0.0957% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    VAL   43  19.98 +/- 2.20   0.001% *  0.0205% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    ILE   89  25.89 +/- 1.90   0.000% *  0.0992% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB    ILE   89  26.81 +/- 3.03   0.000% *  0.0938% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    ILE   89  20.32 +/- 1.91   0.001% *  0.0153% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    VAL   43  18.60 +/- 1.27   0.002% *  0.0043% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.9, residual support = 218.2:
    * O T QG2   ILE   89 - HB    ILE   89   2.10 +/- 0.01  99.287% * 99.5317% (0.80  10.0 10.00   5.90 218.16) = 100.000%  kept
        T QD1   LEU  104 - HB    VAL   43   9.79 +/- 1.93   0.455% *  0.0335% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   89 - HB    VAL   43   8.63 +/- 1.39   0.031% *  0.2174% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB    ILE   89   7.07 +/- 1.07   0.100% *  0.0524% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB    VAL   43   7.41 +/- 1.83   0.124% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    ILE   89  17.93 +/- 3.37   0.003% *  0.1536% (0.12   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 5.18, residual support = 218.2:
    * O T HG12  ILE   89 - HB    ILE   89   2.54 +/- 0.19  99.828% * 98.9436% (0.80  10.0 10.00   5.18 218.16) = 100.000%  kept
        T HG12  ILE   89 - HB    VAL   43  10.83 +/- 1.80   0.026% *  0.2161% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   89  12.40 +/- 2.52   0.014% *  0.0444% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    VAL   43  13.26 +/- 1.09   0.006% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    VAL   43   9.36 +/- 0.94   0.054% *  0.0097% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    VAL   43   9.85 +/- 0.99   0.039% *  0.0081% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    VAL   43  10.87 +/- 1.09   0.021% *  0.0105% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    ILE   89  17.50 +/- 2.69   0.002% *  0.0981% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   89  23.87 +/- 2.38   0.000% *  0.4068% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    VAL   43  13.32 +/- 1.05   0.006% *  0.0054% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    ILE   89  20.49 +/- 3.13   0.001% *  0.0305% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   43  18.09 +/- 2.37   0.001% *  0.0214% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    ILE   89  19.95 +/- 1.98   0.001% *  0.0371% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   89  20.89 +/- 2.03   0.000% *  0.0482% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   89  20.98 +/- 2.19   0.000% *  0.0247% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    VAL   43  19.23 +/- 2.52   0.001% *  0.0067% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1037 (3.87, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.43, residual support = 218.2:
    * O T HA    ILE   89 - QG2   ILE   89   2.39 +/- 0.24  99.930% * 99.5272% (1.00  10.0 10.00   6.43 218.16) = 100.000%  kept
          HB3   SER   82 - QG2   ILE   89   9.31 +/- 0.39   0.036% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   ILE   89  10.77 +/- 2.09   0.028% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   ILE   89  14.11 +/- 1.36   0.004% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   ILE   89  18.58 +/- 1.66   0.001% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   ILE   89  21.05 +/- 1.56   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   ILE   89  21.53 +/- 2.49   0.000% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   ILE   89  16.60 +/- 1.51   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1038 (1.74, 0.63, 17.89 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.9, residual support = 218.2:
    * O T HB    ILE   89 - QG2   ILE   89   2.10 +/- 0.01  99.932% * 99.0138% (0.80  10.0 10.00   5.90 218.16) = 100.000%  kept
        T HB    VAL   43 - QG2   ILE   89   8.63 +/- 1.39   0.031% *  0.2753% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   ILE   89   8.80 +/- 0.92   0.024% *  0.0217% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG2   ILE   89  10.11 +/- 1.80   0.012% *  0.0344% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - QG2   ILE   89  17.97 +/- 1.49   0.000% *  0.4641% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QG2   ILE   89  17.80 +/- 1.89   0.000% *  0.1908% (0.15   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1039 (0.63, 0.63, 17.89 ppm):
    1 diagonal assignment:
    *     QG2   ILE   89 - QG2   ILE   89  (1.00)  kept
 
    Peak 1040 (1.22, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.29, residual support = 218.2:
    * O T HG12  ILE   89 - QG2   ILE   89   3.04 +/- 0.27  99.541% * 99.3078% (1.00  10.0 10.00   6.29 218.16) = 100.000%  kept
          HG2   LYS+  74 - QG2   ILE   89   9.13 +/- 2.33   0.411% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QG2   ILE   89  13.42 +/- 2.09   0.019% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG2   ILE   89  19.21 +/- 1.70   0.002% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QG2   ILE   89  15.56 +/- 2.28   0.009% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QG2   ILE   89  16.65 +/- 1.81   0.005% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QG2   ILE   89  15.82 +/- 1.72   0.007% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG2   ILE   89  16.57 +/- 1.97   0.006% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1041 (3.87, 1.22, 26.04 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.8, residual support = 218.2:
    * O T HA    ILE   89 - HG12  ILE   89   3.13 +/- 0.51  99.126% * 98.5945% (1.00  10.0 10.00   5.80 218.16) =  99.998%  kept
        T HB    THR   39 - HG3   LYS+  99   8.18 +/- 1.18   0.537% *  0.3859% (0.39   1.0 10.00   0.02   0.02) =   0.002%
          HB3   SER   82 - HG12  ILE   89  10.13 +/- 1.75   0.174% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG3   LYS+  99  10.44 +/- 1.21   0.116% *  0.0400% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG12  ILE   89  18.11 +/- 2.12   0.004% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   89 - HG3   LYS+  99  23.89 +/- 2.38   0.001% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG12  ILE   89  15.36 +/- 2.71   0.013% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   LYS+  99  16.14 +/- 1.46   0.007% *  0.0320% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HG12  ILE   89  22.55 +/- 2.31   0.001% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   LYS+  99  19.75 +/- 2.68   0.003% *  0.0378% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG3   LYS+  99  14.78 +/- 1.17   0.012% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG12  ILE   89  25.30 +/- 2.49   0.001% *  0.0986% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG12  ILE   89  26.80 +/- 3.21   0.000% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG12  ILE   89  19.93 +/- 2.61   0.003% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   LYS+  99  24.52 +/- 2.63   0.001% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   LYS+  99  28.96 +/- 3.60   0.001% *  0.0079% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1042 (1.74, 1.22, 26.04 ppm):
    12 chemical-shift based assignments, quality = 0.702, support = 5.26, residual support = 211.4:
    * O T HB    ILE   89 - HG12  ILE   89   2.54 +/- 0.19  40.381% * 78.0851% (0.80  10.0 10.00   5.18 218.16) =  85.753%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.95 +/- 0.22  18.332% * 14.8429% (0.15  10.0  1.00   5.01 171.04) =   7.400%  kept
      O T HB2   LYS+  99 - HG3   LYS+  99   2.55 +/- 0.21  41.261% *  6.1021% (0.06  10.0 10.00   6.44 171.04) =   6.847%  kept
        T HB    VAL   43 - HG12  ILE   89  10.83 +/- 1.80   0.011% *  0.2171% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  13.26 +/- 1.09   0.002% *  0.0880% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89  10.58 +/- 1.53   0.011% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  14.06 +/- 2.48   0.002% *  0.0271% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  18.23 +/- 1.96   0.000% *  0.1100% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  23.87 +/- 2.38   0.000% *  0.3167% (0.32   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  21.36 +/- 2.45   0.000% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  21.49 +/- 1.95   0.000% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  27.47 +/- 1.77   0.000% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1043 (0.63, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.29, residual support = 218.2:
    * O T QG2   ILE   89 - HG12  ILE   89   3.04 +/- 0.27  79.340% * 99.5013% (1.00  10.0 10.00   6.29 218.16) =  99.997%  kept
          QD1   LEU  104 - HG3   LYS+  99   4.31 +/- 1.46  18.875% *  0.0062% (0.06   1.0  1.00   0.02  17.35) =   0.001%
          QG1   VAL   83 - HG12  ILE   89   6.76 +/- 1.53   1.744% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T QG2   ILE   89 - HG3   LYS+  99  19.21 +/- 1.70   0.002% *  0.4035% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG12  ILE   89  17.25 +/- 3.18   0.036% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+  99  17.07 +/- 2.05   0.003% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1044 (1.22, 1.22, 26.04 ppm):
    2 diagonal assignments:
    *     HG12  ILE   89 - HG12  ILE   89  (1.00)  kept
          HG3   LYS+  99 - HG3   LYS+  99  (0.17)  kept
 
    Peak 1045 (4.46, 4.46, 56.09 ppm):
    1 diagonal assignment:
    *     HA    GLN   90 - HA    GLN   90  (0.96)  kept
 
    Peak 1046 (2.15, 4.46, 56.09 ppm):
    6 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 95.6:
    * O T HB2   GLN   90 - HA    GLN   90   2.52 +/- 0.20  99.748% * 98.5005% (0.78  10.0 10.00   3.96  95.63) =  99.997%  kept
        T HB3   GLU-  79 - HA    GLN   90  11.77 +/- 2.24   0.252% *  1.1636% (0.93   1.0 10.00   0.02   0.02) =   0.003%
          HB3   GLU-  29 - HA    GLN   90  24.34 +/- 0.96   0.000% *  0.1164% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   90  23.10 +/- 1.41   0.000% *  0.0746% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLN   90  27.10 +/- 1.22   0.000% *  0.1206% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   90  31.33 +/- 1.22   0.000% *  0.0243% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (1.87, 4.46, 56.09 ppm):
    13 chemical-shift based assignments, quality = 0.819, support = 3.97, residual support = 95.6:
    * O T HB3   GLN   90 - HA    GLN   90   2.94 +/- 0.22  99.331% * 99.0333% (0.82  10.0 10.00   3.97  95.63) =  99.999%  kept
          QB    LYS+  81 - HA    GLN   90   9.04 +/- 2.06   0.346% *  0.1063% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   90   8.16 +/- 0.74   0.271% *  0.0577% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   90  15.45 +/- 2.86   0.031% *  0.0719% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   90  14.19 +/- 1.37   0.009% *  0.1094% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   90  15.78 +/- 2.88   0.008% *  0.1122% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   90  20.51 +/- 2.41   0.001% *  0.0671% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   90  20.81 +/- 1.33   0.001% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   90  21.36 +/- 1.50   0.001% *  0.0767% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   90  21.62 +/- 2.62   0.001% *  0.0366% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLN   90  23.79 +/- 1.08   0.000% *  0.0906% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   90  29.18 +/- 2.41   0.000% *  0.0624% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   90  30.53 +/- 1.22   0.000% *  0.0990% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1048 (2.27, 4.46, 56.09 ppm):
    9 chemical-shift based assignments, quality = 0.879, support = 3.61, residual support = 95.6:
    * O T QG    GLN   90 - HA    GLN   90   2.58 +/- 0.26  99.873% * 99.3855% (0.88  10.0 10.00   3.61  95.63) = 100.000%  kept
          HG3   MET   92 - HA    GLN   90   8.73 +/- 1.24   0.119% *  0.0171% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   90  14.00 +/- 1.75   0.006% *  0.1098% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   90  19.68 +/- 1.86   0.001% *  0.1048% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   90  21.10 +/- 1.49   0.000% *  0.0627% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   90  25.52 +/- 1.95   0.000% *  0.1086% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   90  25.71 +/- 1.68   0.000% *  0.1106% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLN   90  22.90 +/- 1.35   0.000% *  0.0247% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLN   90  32.62 +/- 3.86   0.000% *  0.0761% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1049 (4.46, 2.15, 31.73 ppm):
    10 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 95.6:
    * O T HA    GLN   90 - HB2   GLN   90   2.52 +/- 0.20  99.739% * 98.8405% (0.78  10.0 10.00   3.96  95.63) =  99.998%  kept
        T HA    GLN   90 - HB3   GLU-  79  11.77 +/- 2.24   0.252% *  0.7153% (0.57   1.0 10.00   0.02   0.02) =   0.002%
          HA    ALA  110 - HB2   GLN   90  15.29 +/- 1.93   0.003% *  0.0931% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  19.30 +/- 2.76   0.001% *  0.0999% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  20.83 +/- 3.59   0.001% *  0.0674% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLU-  79  17.48 +/- 1.06   0.001% *  0.0355% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  21.28 +/- 2.69   0.000% *  0.0723% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   90  20.30 +/- 0.91   0.000% *  0.0491% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  18.00 +/- 0.86   0.001% *  0.0156% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  21.96 +/- 2.08   0.000% *  0.0113% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1050 (2.15, 2.15, 31.73 ppm):
    2 diagonal assignments:
    *     HB2   GLN   90 - HB2   GLN   90  (0.64)  kept
          HB3   GLU-  79 - HB3   GLU-  79  (0.55)  kept
 
    Peak 1051 (1.87, 2.15, 31.73 ppm):
    26 chemical-shift based assignments, quality = 0.669, support = 3.99, residual support = 95.6:
    * O T HB3   GLN   90 - HB2   GLN   90   1.75 +/- 0.00  99.952% * 96.7995% (0.67  10.0 10.00   3.99  95.63) = 100.000%  kept
          QB    LYS+  81 - HB3   GLU-  79   7.14 +/- 0.57   0.025% *  0.0752% (0.52   1.0  1.00   0.02   0.63) =   0.000%
        T HB3   GLN   90 - HB3   GLU-  79  13.75 +/- 2.32   0.002% *  0.7005% (0.48   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   90   9.86 +/- 1.88   0.006% *  0.1039% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   90   8.91 +/- 1.09   0.010% *  0.0564% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   GLN   90  16.52 +/- 3.17   0.003% *  0.0703% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   GLU-  79  16.43 +/- 3.04   0.001% *  0.0408% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   GLN   90  15.36 +/- 1.40   0.000% *  0.1070% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   90  17.09 +/- 2.91   0.000% *  0.1096% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   GLU-  79  14.83 +/- 1.63   0.000% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   GLU-  79  17.40 +/- 3.52   0.000% *  0.0509% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   GLU-  79  19.45 +/- 2.89   0.000% *  0.0793% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   GLU-  79  18.18 +/- 2.11   0.000% *  0.0774% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   GLU-  79  18.30 +/- 1.27   0.000% *  0.0641% (0.44   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HB2   GLN   90  32.42 +/- 1.28   0.000% *  0.9680% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   GLN   90  21.80 +/- 2.51   0.000% *  0.0656% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   90  22.86 +/- 1.46   0.000% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLN   90  22.91 +/- 1.37   0.000% *  0.0750% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   90  23.13 +/- 2.72   0.000% *  0.0358% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   GLU-  79  23.58 +/- 2.65   0.000% *  0.0475% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   GLU-  79  24.03 +/- 1.91   0.000% *  0.0543% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   GLN   90  25.66 +/- 1.13   0.000% *  0.0886% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB3   GLU-  79  22.49 +/- 1.99   0.000% *  0.0259% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB3   GLU-  79  27.81 +/- 1.15   0.000% *  0.0701% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB3   GLU-  79  26.38 +/- 1.48   0.000% *  0.0441% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   GLN   90  31.21 +/- 2.33   0.000% *  0.0610% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1052 (2.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.718, support = 3.93, residual support = 95.6:
    * O T QG    GLN   90 - HB2   GLN   90   2.45 +/- 0.11  99.815% * 96.7466% (0.72  10.0 10.00   3.93  95.63) = 100.000%  kept
        T QG    GLN   90 - HB3   GLU-  79  11.15 +/- 2.12   0.035% *  0.7002% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLN   90   9.36 +/- 1.92   0.132% *  0.0166% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  79  12.49 +/- 0.73   0.006% *  0.0774% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB3   GLU-  79  15.31 +/- 1.74   0.002% *  0.1738% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB3   GLU-  79  24.68 +/- 4.50   0.001% *  0.5363% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLN   90  16.12 +/- 1.61   0.002% *  0.1069% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  79  15.67 +/- 0.86   0.002% *  0.0739% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLU-  79  18.48 +/- 1.59   0.001% *  0.0765% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU-  79  16.96 +/- 3.13   0.004% *  0.0120% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLU-  79  20.23 +/- 1.58   0.000% *  0.0779% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLN   90  21.85 +/- 1.64   0.000% *  0.1020% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB2   GLN   90  24.89 +/- 1.40   0.000% *  0.2402% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   GLN   90  34.53 +/- 3.85   0.000% *  0.7410% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLN   90  22.60 +/- 1.38   0.000% *  0.0611% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  79  23.54 +/- 1.50   0.000% *  0.0442% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   GLN   90  27.52 +/- 1.78   0.000% *  0.1057% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   GLN   90  27.69 +/- 1.63   0.000% *  0.1076% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1053 (4.46, 1.87, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 3.97, residual support = 95.6:
    * O T HA    GLN   90 - HB3   GLN   90   2.94 +/- 0.22  99.987% * 99.7400% (0.82  10.0 10.00   3.97  95.63) = 100.000%  kept
          HA    ALA  110 - HB3   GLN   90  15.12 +/- 1.79   0.007% *  0.0939% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLN   90  19.60 +/- 2.49   0.002% *  0.1009% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   90  19.80 +/- 1.10   0.001% *  0.0495% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLN   90  17.52 +/- 0.81   0.003% *  0.0157% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1054 (2.15, 1.87, 31.73 ppm):
    6 chemical-shift based assignments, quality = 0.669, support = 3.99, residual support = 95.6:
    * O T HB2   GLN   90 - HB3   GLN   90   1.75 +/- 0.00  99.998% * 98.2851% (0.67  10.0 10.00   3.99  95.63) = 100.000%  kept
        T HB3   GLU-  79 - HB3   GLN   90  13.75 +/- 2.32   0.002% *  1.1611% (0.79   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   GLN   90  25.97 +/- 1.07   0.000% *  0.1161% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   GLN   90  24.68 +/- 1.54   0.000% *  0.0744% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB3   GLN   90  28.40 +/- 1.35   0.000% *  0.1203% (0.82   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  38 - HB3   GLN   90  32.67 +/- 1.37   0.000% *  0.2429% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1055 (1.87, 1.87, 31.73 ppm):
    1 diagonal assignment:
    *     HB3   GLN   90 - HB3   GLN   90  (0.70)  kept
 
    Peak 1056 (2.27, 1.87, 31.73 ppm):
    9 chemical-shift based assignments, quality = 0.749, support = 3.94, residual support = 95.6:
    * O T QG    GLN   90 - HB3   GLN   90   2.32 +/- 0.13  99.848% * 99.3855% (0.75  10.0 10.00   3.94  95.63) = 100.000%  kept
          HG3   MET   92 - HB3   GLN   90   9.45 +/- 1.95   0.151% *  0.0171% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLN   90  15.93 +/- 1.71   0.001% *  0.1098% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLN   90  21.67 +/- 1.67   0.000% *  0.1048% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLN   90  22.37 +/- 1.20   0.000% *  0.0627% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLN   90  27.51 +/- 1.60   0.000% *  0.1106% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLN   90  27.49 +/- 1.80   0.000% *  0.1086% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLN   90  24.55 +/- 1.53   0.000% *  0.0247% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   GLN   90  34.46 +/- 3.75   0.000% *  0.0761% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (4.46, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 3.61, residual support = 95.6:
    * O T HA    GLN   90 - QG    GLN   90   2.58 +/- 0.26  99.987% * 99.7400% (0.88  10.0 10.00   3.61  95.63) = 100.000%  kept
          HA    ALA  110 - QG    GLN   90  14.42 +/- 1.89   0.008% *  0.0939% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - QG    GLN   90  18.04 +/- 1.74   0.001% *  0.1009% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   90  17.40 +/- 1.29   0.001% *  0.0495% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG    GLN   90  16.25 +/- 1.25   0.003% *  0.0157% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1058 (2.15, 2.27, 34.07 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.93, residual support = 95.6:
    * O T HB2   GLN   90 - QG    GLN   90   2.45 +/- 0.11  99.964% * 97.8434% (0.72  10.0 10.00   3.93  95.63) = 100.000%  kept
        T HB3   GLU-  79 - QG    GLN   90  11.15 +/- 2.12   0.035% *  1.1559% (0.85   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - QG    GLN   90  20.82 +/- 1.63   0.000% *  0.7411% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QG    GLN   90  22.02 +/- 1.27   0.000% *  0.1156% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - QG    GLN   90  24.54 +/- 1.51   0.000% *  0.1198% (0.88   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG    GLN   90  28.56 +/- 1.62   0.000% *  0.0242% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1059 (1.87, 2.27, 34.07 ppm):
    13 chemical-shift based assignments, quality = 0.749, support = 3.94, residual support = 95.6:
    * O T HB3   GLN   90 - QG    GLN   90   2.32 +/- 0.13  99.738% * 98.5216% (0.75  10.0 10.00   3.94  95.63) =  99.999%  kept
        T HB2   MET   92 - QG    GLN   90   8.99 +/- 1.16   0.055% *  0.5741% (0.44   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG    GLN   90   7.54 +/- 1.63   0.194% *  0.1058% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG    GLN   90  13.48 +/- 1.77   0.004% *  0.1089% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    GLN   90  15.48 +/- 2.39   0.005% *  0.0715% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    GLN   90  15.84 +/- 2.00   0.001% *  0.1116% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    GLN   90  18.69 +/- 2.86   0.001% *  0.0668% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLN   90  19.18 +/- 1.72   0.000% *  0.0763% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    GLN   90  20.13 +/- 1.77   0.000% *  0.0763% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG    GLN   90  21.76 +/- 1.45   0.000% *  0.0901% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLN   90  21.08 +/- 2.27   0.000% *  0.0364% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    GLN   90  27.87 +/- 1.63   0.000% *  0.0985% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    GLN   90  27.39 +/- 2.29   0.000% *  0.0621% (0.47   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1060 (2.27, 2.27, 34.07 ppm):
    1 diagonal assignment:
    *     QG    GLN   90 - QG    GLN   90  (0.80)  kept
 
    Peak 1061 (4.49, 4.49, 51.73 ppm):
    1 diagonal assignment:
    *     HA    ALA   91 - HA    ALA   91  (1.00)  kept
 
    Peak 1062 (1.25, 4.49, 51.73 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.25, residual support = 14.6:
    * O T QB    ALA   91 - HA    ALA   91   2.13 +/- 0.01  99.984% * 98.3255% (1.00  10.0 10.00   2.25  14.57) = 100.000%  kept
          QG2   ILE   56 - HA    ALA   91  10.41 +/- 2.43   0.012% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ALA   91  15.79 +/- 1.81   0.001% *  0.2189% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ALA   91  14.03 +/- 1.90   0.002% *  0.0596% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    ALA   91  22.43 +/- 1.08   0.000% *  0.9833% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ALA   91  20.33 +/- 0.67   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ALA   91  23.72 +/- 1.58   0.000% *  0.0821% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ALA   91  24.10 +/- 1.20   0.000% *  0.0557% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ALA   91  26.35 +/- 0.85   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA   91  30.93 +/- 1.24   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.49, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.25, residual support = 14.6:
    * O T HA    ALA   91 - QB    ALA   91   2.13 +/- 0.01  99.841% * 99.0540% (1.00  10.0 10.00   2.25  14.57) = 100.000%  kept
          HA    TRP   27 - QG2   THR   23   7.10 +/- 0.78   0.094% *  0.0096% (0.10   1.0  1.00   0.02   0.94) =   0.000%
          HA    VAL  107 - QB    ALA   91  10.88 +/- 1.67   0.008% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   91   9.07 +/- 1.52   0.029% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   39   9.93 +/- 1.03   0.013% *  0.0432% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QB    ALA   91  10.68 +/- 2.29   0.012% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   23  15.79 +/- 1.81   0.001% *  0.1041% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    ALA   91  16.05 +/- 1.00   0.001% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   39  22.43 +/- 1.08   0.000% *  0.4678% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   39  16.85 +/- 0.76   0.000% *  0.0451% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   23  20.25 +/- 1.27   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   39  20.85 +/- 2.05   0.000% *  0.0093% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   39  22.95 +/- 2.05   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   23  20.43 +/- 1.98   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   23  20.62 +/- 2.56   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1064 (1.25, 1.25, 21.56 ppm):
    3 diagonal assignments:
    *     QB    ALA   91 - QB    ALA   91  (1.00)  kept
          QG2   THR   39 - QG2   THR   39  (0.47)  kept
          QG2   THR   23 - QG2   THR   23  (0.02)  kept
 
    Peak 1065 (5.07, 3.58, 50.24 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 5.31, residual support = 132.4:
    * O T HA    PRO   93 - HD2   PRO   93   3.98 +/- 0.00 100.000% *100.0000% (0.73  10.0 10.00   5.31 132.37) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1066 (2.06, 3.58, 50.24 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.4:
    * O T HB2   PRO   93 - HD2   PRO   93   4.00 +/- 0.07  76.704% * 99.2584% (0.73  10.0 10.00   5.40 132.37) =  99.989%  kept
          HG3   PRO   52 - HD2   PRO   93   7.03 +/- 4.08  21.410% *  0.0306% (0.22   1.0  1.00   0.02   0.34) =   0.009%
          HB    VAL  108 - HD2   PRO   93   8.37 +/- 1.43   1.391% *  0.0795% (0.58   1.0  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HD2   PRO   93  10.61 +/- 2.21   0.309% *  0.0861% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD2   PRO   93  11.79 +/- 1.41   0.141% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   PRO   93  15.09 +/- 1.62   0.038% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   PRO   93  23.12 +/- 1.50   0.002% *  0.2760% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   PRO   93  21.59 +/- 1.17   0.004% *  0.0562% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   PRO   93  27.02 +/- 0.47   0.001% *  0.0483% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   93  26.59 +/- 2.23   0.001% *  0.0373% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   93  35.42 +/- 3.18   0.000% *  0.0408% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1067 (1.81, 3.58, 50.24 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.4:
    * O T HG2   PRO   93 - HD2   PRO   93   2.38 +/- 0.20  95.871% * 99.4388% (0.73  10.0 10.00   4.00 132.37) =  99.999%  kept
          HB3   PRO   52 - HD2   PRO   93   6.20 +/- 3.98   4.125% *  0.0307% (0.22   1.0  1.00   0.02   0.34) =   0.001%
          QB    LYS+  66 - HD2   PRO   93  17.54 +/- 1.84   0.001% *  0.0892% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HD2   PRO   93  17.30 +/- 1.16   0.001% *  0.0831% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   93  17.75 +/- 1.18   0.001% *  0.0563% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   93  19.05 +/- 0.73   0.000% *  0.0722% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   PRO   93  20.16 +/- 0.92   0.000% *  0.0796% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   93  20.70 +/- 0.82   0.000% *  0.0918% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   PRO   93  21.02 +/- 2.09   0.000% *  0.0307% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   PRO   93  21.40 +/- 1.22   0.000% *  0.0276% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (3.58, 3.58, 50.24 ppm):
    1 diagonal assignment:
    *     HD2   PRO   93 - HD2   PRO   93  (0.53)  kept
 
    Peak 1069 (3.34, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.4:
    * O T HD3   PRO   93 - HD2   PRO   93   1.75 +/- 0.00  99.752% * 98.6805% (0.65  10.0 10.00   4.00 132.37) = 100.000%  kept
          HB3   CYS   53 - HD2   PRO   93   6.33 +/- 2.34   0.191% *  0.1091% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   93   7.72 +/- 2.88   0.045% *  0.0881% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   93  10.22 +/- 2.14   0.009% *  0.0579% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   93  11.61 +/- 2.24   0.003% *  0.1100% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD2   PRO   93  22.18 +/- 1.37   0.000% *  0.9545% (0.63   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1070 (5.07, 3.34, 50.24 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.31, residual support = 132.4:
    * O T HA    PRO   93 - HD3   PRO   93   3.79 +/- 0.00  99.995% * 99.8223% (0.90  10.0 10.00   5.31 132.37) = 100.000%  kept
        T HA    PRO   93 - HD3   PRO   68  20.06 +/- 1.44   0.005% *  0.1777% (0.16   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 0.892, support = 5.36, residual support = 131.3:
    * O T HB2   PRO   93 - HD3   PRO   93   3.65 +/- 0.24  68.489% * 95.6282% (0.90  10.0 10.00   5.40 132.37) =  99.200%  kept
          HG3   PRO   52 - HD3   PRO   93   6.49 +/- 4.59  30.716% *  1.7128% (0.28   1.0  1.00   1.16   0.34) =   0.797%  kept
        T HB2   ARG+  54 - HD3   PRO   93  10.07 +/- 2.67   0.252% *  0.8295% (0.78   1.0 10.00   0.02   0.02) =   0.003%
          HB    VAL  108 - HD3   PRO   93   9.80 +/- 1.43   0.270% *  0.0766% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   93  12.21 +/- 1.84   0.115% *  0.0295% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   68  13.74 +/- 2.00   0.030% *  0.0639% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   93  16.18 +/- 1.71   0.020% *  0.0541% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HD3   PRO   68  19.39 +/- 1.61   0.004% *  0.1702% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   68  12.44 +/- 2.00   0.060% *  0.0096% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   93  22.86 +/- 1.57   0.001% *  0.2659% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HD3   PRO   68  22.22 +/- 2.32   0.002% *  0.1476% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   68  17.47 +/- 1.28   0.006% *  0.0473% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   93  26.24 +/- 2.19   0.001% *  0.3589% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   68  21.28 +/- 2.59   0.003% *  0.0700% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   93  21.44 +/- 1.27   0.002% *  0.0541% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   68  16.73 +/- 1.31   0.008% *  0.0096% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   68  15.67 +/- 1.31   0.012% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   68  17.79 +/- 1.52   0.006% *  0.0083% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   93  35.00 +/- 3.30   0.000% *  0.3931% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   PRO   68  21.15 +/- 1.57   0.002% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   93  27.74 +/- 0.68   0.000% *  0.0465% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HD3   PRO   68  25.18 +/- 2.13   0.001% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1072 (1.81, 3.34, 50.24 ppm):
    20 chemical-shift based assignments, quality = 0.887, support = 3.95, residual support = 130.4:
    * O T HG2   PRO   93 - HD3   PRO   93   2.82 +/- 0.22  61.816% * 91.0552% (0.90  10.0 10.00   4.00 132.37) =  98.492%  kept
        T HB3   PRO   52 - HD3   PRO   93   6.11 +/- 4.35  10.510% *  8.1605% (0.28   1.0 10.00   0.58   0.34) =   1.501%  kept
          QB    LYS+  66 - HD3   PRO   68   3.91 +/- 1.24  26.966% *  0.0145% (0.14   1.0  1.00   0.02   0.02) =   0.007%
          QB    LYS+  65 - HD3   PRO   68   6.44 +/- 0.79   0.567% *  0.0135% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   68  11.08 +/- 1.42   0.044% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   68  11.11 +/- 3.23   0.060% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   PRO   93  18.04 +/- 1.91   0.002% *  0.0817% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HD3   PRO   93  17.47 +/- 1.39   0.002% *  0.0761% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   68  11.27 +/- 1.48   0.025% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD3   PRO   68  20.45 +/- 1.49   0.000% *  0.1621% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   93  18.59 +/- 1.28   0.001% *  0.0516% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   93  19.48 +/- 0.74   0.001% *  0.0661% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   68  14.61 +/- 0.91   0.004% *  0.0118% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   93  20.35 +/- 0.86   0.000% *  0.0729% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   93  21.55 +/- 0.91   0.000% *  0.0841% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   68  17.22 +/- 1.50   0.001% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   93  22.08 +/- 2.16   0.000% *  0.0281% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HD3   PRO   68  23.40 +/- 1.87   0.000% *  0.0500% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   93  21.05 +/- 1.27   0.000% *  0.0253% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   68  18.47 +/- 1.80   0.001% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1073 (3.58, 3.34, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.651, support = 4.0, residual support = 132.4:
    * O T HD2   PRO   93 - HD3   PRO   93   1.75 +/- 0.00  97.852% * 99.5607% (0.65  10.0 10.00   4.00 132.37) =  99.997%  kept
          HA    THR   77 - HD3   PRO   93  10.60 +/- 2.67   2.148% *  0.1230% (0.80   1.0  1.00   0.02   0.02) =   0.003%
          HB2   TRP   27 - HD3   PRO   93  18.43 +/- 1.43   0.000% *  0.0996% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HD3   PRO   68  22.18 +/- 1.37   0.000% *  0.1772% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   68  20.51 +/- 1.01   0.000% *  0.0177% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   77 - HD3   PRO   68  24.71 +/- 1.30   0.000% *  0.0219% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1074 (3.34, 3.34, 50.24 ppm):
    2 diagonal assignments:
    *     HD3   PRO   93 - HD3   PRO   93  (0.80)  kept
          HD3   PRO   68 - HD3   PRO   68  (0.14)  kept
 
    Peak 1075 (5.07, 5.07, 63.17 ppm):
    1 diagonal assignment:
    *     HA    PRO   93 - HA    PRO   93  (1.00)  kept
 
    Peak 1076 (2.06, 5.07, 63.17 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 132.4:
    * O T HB2   PRO   93 - HA    PRO   93   2.39 +/- 0.17  99.709% * 99.2584% (1.00  10.0 10.00   5.98 132.37) = 100.000%  kept
          HB    VAL  108 - HA    PRO   93   8.52 +/- 1.52   0.125% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    PRO   93   9.31 +/- 3.17   0.141% *  0.0306% (0.31   1.0  1.00   0.02   0.34) =   0.000%
          HB2   ARG+  54 - HA    PRO   93  11.56 +/- 2.00   0.012% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    PRO   93  12.14 +/- 1.74   0.010% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    PRO   93  14.98 +/- 1.31   0.002% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    PRO   93  19.45 +/- 1.43   0.000% *  0.2760% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    PRO   93  17.94 +/- 1.10   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    PRO   93  24.31 +/- 0.79   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   93  23.49 +/- 1.99   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   93  32.22 +/- 3.25   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1077 (1.81, 5.07, 63.17 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 132.4:
    * O T HG2   PRO   93 - HA    PRO   93   3.96 +/- 0.03  96.789% * 99.4388% (1.00  10.0 10.00   5.31 132.37) =  99.999%  kept
          HB3   PRO   52 - HA    PRO   93   8.72 +/- 2.99   3.052% *  0.0307% (0.31   1.0  1.00   0.02   0.34) =   0.001%
          QB    LYS+  66 - HA    PRO   93  16.09 +/- 1.68   0.029% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    PRO   93  15.85 +/- 1.41   0.030% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   93  15.42 +/- 1.38   0.034% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   93  15.90 +/- 0.74   0.024% *  0.0722% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    PRO   93  16.82 +/- 0.79   0.017% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   93  18.80 +/- 0.99   0.009% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    PRO   93  18.73 +/- 1.35   0.010% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   93  20.53 +/- 1.74   0.006% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1078 (3.58, 5.07, 63.17 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.31, residual support = 132.4:
    * O T HD2   PRO   93 - HA    PRO   93   3.98 +/- 0.00  95.947% * 99.7770% (0.73  10.0 10.00   5.31 132.37) =  99.995%  kept
          HA    THR   77 - HA    PRO   93   9.14 +/- 2.00   4.018% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.005%
          HB2   TRP   27 - HA    PRO   93  15.17 +/- 1.21   0.035% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.35 A, kept.
 
    Peak 1079 (3.34, 5.07, 63.17 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.31, residual support = 132.3:
    * O T HD3   PRO   93 - HA    PRO   93   3.79 +/- 0.00  81.193% * 98.6805% (0.90  10.0 10.00   5.31 132.37) =  99.975%  kept
          HB3   CYS   53 - HA    PRO   93   6.18 +/- 2.33  17.006% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.023%
          QB    PHE   55 - HA    PRO   93   9.32 +/- 2.23   0.658% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HA    PRO   93  12.36 +/- 2.30   0.420% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HB2   PHE   59 - HA    PRO   93   9.55 +/- 2.19   0.719% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.001%
        T HD3   PRO   68 - HA    PRO   93  20.06 +/- 1.44   0.004% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 132.4:
    * O T HG2   PRO   93 - HB2   PRO   93   2.73 +/- 0.31  97.857% * 99.0260% (1.00  10.0 10.00   5.40 132.37) =  99.994%  kept
        T HB3   PRO   52 - HB2   PRO   93   7.95 +/- 3.51   1.746% *  0.3056% (0.31   1.0 10.00   0.02   0.34) =   0.006%
          HB2   LEU   71 - HG3   GLN   30   7.89 +/- 1.51   0.293% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   PRO   93  14.78 +/- 1.55   0.005% *  0.0827% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   93  15.32 +/- 2.07   0.004% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   GLN   30  10.14 +/- 1.70   0.068% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   93  16.72 +/- 1.01   0.002% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HG3   GLN   30  14.17 +/- 1.44   0.007% *  0.0215% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   PRO   93  17.14 +/- 1.03   0.002% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   93  16.70 +/- 1.58   0.002% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   93  19.74 +/- 1.05   0.001% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB2   PRO   93  17.90 +/- 1.29   0.002% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG3   GLN   30  22.25 +/- 1.99   0.000% *  0.0772% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   93  19.86 +/- 2.40   0.001% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   GLN   30  16.96 +/- 1.57   0.002% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   GLN   30  17.47 +/- 1.00   0.002% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   GLN   30  17.60 +/- 1.50   0.002% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   GLN   30  16.38 +/- 1.60   0.003% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   GLN   30  25.71 +/- 2.40   0.000% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   GLN   30  26.35 +/- 1.59   0.000% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1083 (3.58, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 132.4:
    * O T HD2   PRO   93 - HB2   PRO   93   4.00 +/- 0.07  89.172% * 99.6822% (0.73  10.0 10.00   5.40 132.37) =  99.990%  kept
          HA    THR   77 - HB2   PRO   93  10.24 +/- 2.71   6.698% *  0.1231% (0.90   1.0  1.00   0.02   0.02) =   0.009%
          HB2   TRP   27 - HG3   GLN   30   7.02 +/- 0.68   4.083% *  0.0078% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   27 - HB2   PRO   93  16.15 +/- 1.82   0.027% *  0.0997% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HG3   GLN   30  23.12 +/- 1.50   0.003% *  0.0777% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   77 - HG3   GLN   30  17.15 +/- 1.36   0.017% *  0.0096% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1084 (3.34, 2.06, 34.10 ppm):
    12 chemical-shift based assignments, quality = 0.896, support = 5.39, residual support = 132.2:
    * O T HD3   PRO   93 - HB2   PRO   93   3.65 +/- 0.24  58.334% * 97.4649% (0.90  10.0 10.00   5.40 132.37) =  99.893%  kept
          HB3   CYS   53 - HB2   PRO   93   5.31 +/- 2.87  34.226% *  0.1077% (0.99   1.0  1.00   0.02   0.02) =   0.065%
        T HD2   ARG+  54 - HB2   PRO   93  10.92 +/- 2.98   1.856% *  1.0868% (1.00   1.0 10.00   0.02   0.02) =   0.035%
          HB2   PHE   59 - HB2   PRO   93   8.47 +/- 2.62   3.833% *  0.0572% (0.53   1.0  1.00   0.02   0.02) =   0.004%
          QB    PHE   55 - HB2   PRO   93   8.05 +/- 2.91   1.734% *  0.0870% (0.80   1.0  1.00   0.02   0.02) =   0.003%
        T HD3   PRO   68 - HB2   PRO   93  19.39 +/- 1.61   0.004% *  0.9427% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG3   GLN   30  17.47 +/- 1.28   0.006% *  0.0735% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG3   GLN   30  22.86 +/- 1.57   0.001% *  0.0759% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   GLN   30  26.56 +/- 3.20   0.001% *  0.0847% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   GLN   30  22.27 +/- 1.68   0.001% *  0.0084% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   GLN   30  20.80 +/- 1.88   0.002% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   GLN   30  23.66 +/- 1.67   0.001% *  0.0068% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1085 (5.07, 1.81, 24.81 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.31, residual support = 132.4:
    * O T HA    PRO   93 - HG2   PRO   93   3.96 +/- 0.03 100.000% *100.0000% (1.00  10.0 10.00   5.31 132.37) = 100.000%  kept
    Distance limit 4.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1086 (2.06, 1.81, 24.81 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 132.4:
    * O T HB2   PRO   93 - HG2   PRO   93   2.73 +/- 0.31  96.392% * 98.7141% (1.00  10.0 10.00   5.40 132.37) =  99.989%  kept
        T HG3   PRO   52 - HG2   PRO   93   7.69 +/- 3.93   3.291% *  0.3047% (0.31   1.0 10.00   0.02   0.34) =   0.011%
        T HG2   PRO   58 - HG2   PRO   93  10.12 +/- 1.99   0.066% *  0.3047% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   PRO   93   9.13 +/- 1.82   0.129% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   PRO   93   9.62 +/- 2.65   0.112% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   PRO   93  13.75 +/- 2.02   0.009% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   PRO   93  22.25 +/- 1.99   0.000% *  0.2745% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   PRO   93  20.79 +/- 1.68   0.001% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   93  24.97 +/- 2.53   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   PRO   93  26.42 +/- 0.70   0.000% *  0.0480% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   93  33.91 +/- 3.28   0.000% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1087 (1.81, 1.81, 24.81 ppm):
    1 diagonal assignment:
    *     HG2   PRO   93 - HG2   PRO   93  (1.00)  kept
 
    Peak 1088 (3.58, 1.81, 24.81 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 132.4:
    * O T HD2   PRO   93 - HG2   PRO   93   2.38 +/- 0.20  99.575% * 99.7770% (0.73  10.0 10.00   4.00 132.37) =  99.999%  kept
          HA    THR   77 - HG2   PRO   93  12.03 +/- 2.92   0.424% *  0.1232% (0.90   1.0  1.00   0.02   0.02) =   0.001%
          HB2   TRP   27 - HG2   PRO   93  18.44 +/- 1.82   0.001% *  0.0998% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1089 (3.34, 1.81, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 4.0, residual support = 132.4:
    * O T HD3   PRO   93 - HG2   PRO   93   2.82 +/- 0.22  89.394% * 98.6805% (0.90  10.0 10.00   4.00 132.37) =  99.988%  kept
          HB3   CYS   53 - HG2   PRO   93   5.80 +/- 2.49   7.217% *  0.1091% (0.99   1.0  1.00   0.02   0.02) =   0.009%
          QB    PHE   55 - HG2   PRO   93   6.81 +/- 3.18   1.755% *  0.0881% (0.80   1.0  1.00   0.02   0.02) =   0.002%
          HB2   PHE   59 - HG2   PRO   93   8.54 +/- 2.54   1.413% *  0.0579% (0.53   1.0  1.00   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HG2   PRO   93  10.63 +/- 2.69   0.221% *  0.1100% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   PRO   93  20.45 +/- 1.49   0.001% *  0.9545% (0.87   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1090 (4.95, 4.95, 63.38 ppm):
    1 diagonal assignment:
    *     HA    THR   94 - HA    THR   94  (1.00)  kept
 
    Peak 1091 (3.95, 4.95, 63.38 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.3:
    * O T HB    THR   94 - HA    THR   94   3.04 +/- 0.04  99.812% * 99.2375% (0.84  10.0 10.00   2.43  25.30) = 100.000%  kept
          QB    SER  117 - HA    THR   94  10.85 +/- 1.60   0.086% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HA    THR   94  13.69 +/- 1.65   0.021% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    THR   94  11.27 +/- 1.44   0.048% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    THR   94  14.04 +/- 0.93   0.011% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HA    THR   94  15.57 +/- 1.19   0.006% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    THR   94  15.88 +/- 0.76   0.005% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    THR   94  15.48 +/- 1.03   0.006% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    THR   94  17.84 +/- 0.95   0.003% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    THR   94  20.77 +/- 0.96   0.001% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1092 (1.19, 4.95, 63.38 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.95, residual support = 25.3:
    * O T QG2   THR   94 - HA    THR   94   2.51 +/- 0.17  99.943% * 99.7175% (1.00  10.0 10.00   2.95  25.30) = 100.000%  kept
          HD2   LYS+ 112 - HA    THR   94  12.22 +/- 2.44   0.029% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    THR   94  12.40 +/- 1.33   0.011% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    THR   94  11.18 +/- 0.95   0.015% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    THR   94  16.45 +/- 1.31   0.002% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1093 (4.95, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.3:
    * O T HA    THR   94 - HB    THR   94   3.04 +/- 0.04  99.911% * 99.9751% (0.84  10.0 10.00   2.43  25.30) = 100.000%  kept
          HA    LYS+  74 - HB    THR   94  10.07 +/- 0.83   0.089% *  0.0249% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1094 (3.95, 3.95, 72.97 ppm):
    1 diagonal assignment:
    *     HB    THR   94 - HB    THR   94  (0.70)  kept
 
    Peak 1095 (1.19, 3.95, 72.97 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.3:
    * O T QG2   THR   94 - HB    THR   94   2.16 +/- 0.01  99.987% * 99.7175% (0.84  10.0 10.00   2.43  25.30) = 100.000%  kept
          HG13  ILE  103 - HB    THR   94  10.63 +/- 1.13   0.009% *  0.0308% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    THR   94  14.82 +/- 2.37   0.002% *  0.0798% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB    THR   94  15.06 +/- 1.30   0.001% *  0.0995% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    THR   94  16.41 +/- 1.23   0.001% *  0.0724% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1096 (4.95, 1.19, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.95, residual support = 25.3:
    * O T HA    THR   94 - QG2   THR   94   2.51 +/- 0.17  99.847% * 99.9751% (1.00  10.0 10.00   2.95  25.30) = 100.000%  kept
          HA    LYS+  74 - QG2   THR   94   9.27 +/- 1.00   0.153% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1097 (3.95, 1.19, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.43, residual support = 25.3:
    * O T HB    THR   94 - QG2   THR   94   2.16 +/- 0.01  99.950% * 99.2375% (0.84  10.0 10.00   2.43  25.30) = 100.000%  kept
          QB    SER  117 - QG2   THR   94   9.65 +/- 1.54   0.023% *  0.0488% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   THR   94  12.25 +/- 1.63   0.005% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QG2   THR   94  11.90 +/- 1.29   0.005% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   THR   94  11.01 +/- 1.59   0.009% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QG2   THR   94  13.03 +/- 0.83   0.002% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   THR   94  13.48 +/- 1.28   0.002% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QG2   THR   94  13.99 +/- 0.69   0.001% *  0.1188% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QG2   THR   94  16.05 +/- 0.95   0.001% *  0.0908% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QG2   THR   94  18.23 +/- 0.89   0.000% *  0.0992% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1098 (1.19, 1.19, 21.81 ppm):
    1 diagonal assignment:
    *     QG2   THR   94 - QG2   THR   94  (1.00)  kept
 
    Peak 1099 (5.96, 5.96, 55.53 ppm):
    1 diagonal assignment:
    *     HA    PHE   95 - HA    PHE   95  (1.00)  kept
 
    Peak 1100 (3.20, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.5:
    * O T HB2   PHE   95 - HA    PHE   95   3.03 +/- 0.08 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.53) = 100.000%  kept
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1101 (2.54, 5.96, 55.53 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 73.5:
    * O T HB3   PHE   95 - HA    PHE   95   2.64 +/- 0.17  99.994% * 99.8670% (1.00  10.0 10.00   4.00  73.53) = 100.000%  kept
          HG2   GLN  116 - HA    PHE   95  13.81 +/- 0.94   0.006% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    PHE   95  19.93 +/- 1.24   0.001% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1102 (5.96, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.44, residual support = 73.5:
    * O T HA    PHE   95 - HB2   PHE   95   3.03 +/- 0.08 100.000% *100.0000% (1.00  10.0 10.00   3.44  73.53) = 100.000%  kept
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1103 (3.20, 3.20, 40.96 ppm):
    1 diagonal assignment:
    *     HB2   PHE   95 - HB2   PHE   95  (1.00)  kept
 
    Peak 1104 (2.54, 3.20, 40.96 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 73.5:
    * O T HB3   PHE   95 - HB2   PHE   95   1.75 +/- 0.00  99.998% * 99.8670% (1.00  10.0 10.00   3.31  73.53) = 100.000%  kept
          HG2   GLN  116 - HB2   PHE   95  11.20 +/- 0.82   0.002% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   PHE   95  22.82 +/- 1.22   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1105 (5.96, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.0, residual support = 73.5:
    * O T HA    PHE   95 - HB3   PHE   95   2.64 +/- 0.17 100.000% *100.0000% (1.00  10.0 10.00   4.00  73.53) = 100.000%  kept
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1106 (3.20, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 3.31, residual support = 73.5:
    * O T HB2   PHE   95 - HB3   PHE   95   1.75 +/- 0.00 100.000% *100.0000% (1.00  10.0 10.00   3.31  73.53) = 100.000%  kept
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1107 (2.54, 2.54, 40.96 ppm):
    1 diagonal assignment:
    *     HB3   PHE   95 - HB3   PHE   95  (1.00)  kept
 
    Peak 1108 (5.31, 5.31, 54.03 ppm):
    1 diagonal assignment:
    *     HA    MET   96 - HA    MET   96  (0.96)  kept
 
    Peak 1109 (2.21, 5.31, 54.03 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.6:
    * O T HB2   MET   96 - HA    MET   96   2.99 +/- 0.06  98.649% * 99.6213% (0.98  10.0 10.00   5.00 115.57) =  99.999%  kept
          HB2   ASP- 105 - HA    MET   96   6.58 +/- 0.82   1.312% *  0.0410% (0.40   1.0  1.00   0.02   0.02) =   0.001%
          HB    VAL   70 - HA    MET   96  12.26 +/- 1.15   0.025% *  0.0761% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   96  15.35 +/- 0.75   0.006% *  0.0723% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    MET   96  16.81 +/- 1.48   0.004% *  0.0644% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    MET   96  16.99 +/- 0.61   0.003% *  0.0684% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    MET   96  19.79 +/- 1.11   0.001% *  0.0564% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1110 (1.93, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.6:
    * O T HB3   MET   96 - HA    MET   96   2.76 +/- 0.11  99.968% * 99.7402% (0.98  10.0 10.00   5.00 115.57) = 100.000%  kept
          HB2   LEU   40 - HA    MET   96  10.96 +/- 0.85   0.030% *  0.0799% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    MET   96  18.49 +/- 2.21   0.002% *  0.0249% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   96  22.01 +/- 1.57   0.000% *  0.0865% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   96  30.38 +/- 3.10   0.000% *  0.0685% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1111 (2.61, 5.31, 54.03 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.6:
    * O T HG2   MET   96 - HA    MET   96   2.70 +/- 0.53  99.995% * 99.6261% (0.98  10.0 10.00   4.44 115.57) = 100.000%  kept
        T HB2   PRO   52 - HA    MET   96  16.76 +/- 2.59   0.005% *  0.3739% (0.37   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1112 (2.47, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.595, support = 4.44, residual support = 115.6:
    * O T HG3   MET   96 - HA    MET   96   2.72 +/- 0.52  99.942% * 99.7437% (0.59  10.0 10.00   4.44 115.57) = 100.000%  kept
          HB3   TRP   87 - HA    MET   96  11.01 +/- 2.07   0.045% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    MET   96  14.25 +/- 0.74   0.008% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    MET   96  16.45 +/- 0.91   0.004% *  0.0457% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    MET   96  20.87 +/- 1.33   0.001% *  0.1374% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1113 (5.31, 2.21, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.6:
    * O T HA    MET   96 - HB2   MET   96   2.99 +/- 0.06  99.779% * 99.9773% (0.98  10.0 10.00   5.00 115.57) = 100.000%  kept
          HA    PHE   72 - HB2   MET   96   8.44 +/- 0.55   0.221% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1114 (2.21, 2.21, 36.87 ppm):
    1 diagonal assignment:
    *     HB2   MET   96 - HB2   MET   96  (1.00)  kept
 
    Peak 1115 (1.93, 2.21, 36.87 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 115.6:
    * O T HB3   MET   96 - HB2   MET   96   1.75 +/- 0.00  99.997% * 99.7402% (1.00  10.0 10.00   5.00 115.57) = 100.000%  kept
          HB2   LEU   40 - HB2   MET   96  10.28 +/- 0.72   0.003% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   MET   96  20.44 +/- 1.70   0.000% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB2   MET   96  19.37 +/- 2.09   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   MET   96  28.59 +/- 3.44   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1116 (2.61, 2.21, 36.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.6:
    * O T HG2   MET   96 - HB2   MET   96   2.61 +/- 0.27  99.998% * 99.6261% (1.00  10.0 10.00   4.44 115.57) = 100.000%  kept
        T HB2   PRO   52 - HB2   MET   96  18.05 +/- 2.52   0.002% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1117 (2.47, 2.21, 36.87 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.6:
    * O T HG3   MET   96 - HB2   MET   96   2.72 +/- 0.34  99.899% * 99.7437% (0.61  10.0 10.00   4.44 115.57) = 100.000%  kept
          HB3   TRP   87 - HB2   MET   96  10.20 +/- 2.21   0.094% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   MET   96  18.62 +/- 1.31   0.001% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   MET   96  15.45 +/- 0.64   0.004% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   MET   96  18.82 +/- 0.91   0.001% *  0.0457% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1118 (5.31, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.6:
    * O T HA    MET   96 - HB3   MET   96   2.76 +/- 0.11  99.911% * 99.9773% (0.98  10.0 10.00   5.00 115.57) = 100.000%  kept
          HA    PHE   72 - HB3   MET   96   9.21 +/- 0.64   0.089% *  0.0227% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1119 (2.21, 1.93, 36.87 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 115.6:
    * O T HB2   MET   96 - HB3   MET   96   1.75 +/- 0.00  99.993% * 99.6213% (1.00  10.0 10.00   5.00 115.57) = 100.000%  kept
          HB2   ASP- 105 - HB3   MET   96   9.29 +/- 0.80   0.006% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   MET   96  12.95 +/- 0.96   0.001% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   96  14.56 +/- 1.61   0.000% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   96  16.01 +/- 0.80   0.000% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   MET   96  16.51 +/- 0.69   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   MET   96  17.32 +/- 1.17   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1120 (1.93, 1.93, 36.87 ppm):
    1 diagonal assignment:
    *     HB3   MET   96 - HB3   MET   96  (1.00)  kept
 
    Peak 1121 (2.61, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.6:
    * O T HG2   MET   96 - HB3   MET   96   2.89 +/- 0.16  99.995% * 99.6261% (1.00  10.0 10.00   4.44 115.57) = 100.000%  kept
        T HB2   PRO   52 - HB3   MET   96  16.77 +/- 2.35   0.005% *  0.3739% (0.38   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (2.47, 1.93, 36.87 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.6:
    * O T HG3   MET   96 - HB3   MET   96   2.77 +/- 0.21  99.834% * 99.7437% (0.61  10.0 10.00   4.44 115.57) = 100.000%  kept
          HB3   TRP   87 - HB3   MET   96   9.06 +/- 2.05   0.160% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   MET   96  15.35 +/- 0.60   0.004% *  0.0366% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB3   MET   96  20.16 +/- 1.34   0.001% *  0.1374% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   MET   96  18.26 +/- 0.97   0.001% *  0.0457% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1123 (5.31, 2.61, 32.67 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.6:
    * O T HA    MET   96 - HG2   MET   96   2.70 +/- 0.53  99.944% * 99.6779% (0.98  10.0 10.00   4.44 115.57) = 100.000%  kept
        T HA    MET   96 - HB2   PRO   52  16.76 +/- 2.59   0.005% *  0.2928% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   72 - HG2   MET   96  10.68 +/- 0.58   0.050% *  0.0226% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   72 - HB2   PRO   52  19.72 +/- 1.90   0.002% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1124 (2.21, 2.61, 32.67 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.6:
    * O T HB2   MET   96 - HG2   MET   96   2.61 +/- 0.27  99.708% * 99.2205% (1.00  10.0 10.00   4.44 115.57) = 100.000%  kept
          HB2   ASP- 105 - HG2   MET   96   8.35 +/- 0.98   0.145% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   PRO   52  17.92 +/- 3.59   0.097% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   PRO   52  17.31 +/- 3.56   0.033% *  0.0189% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   MET   96  13.37 +/- 1.06   0.007% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   96 - HB2   PRO   52  18.05 +/- 2.52   0.002% *  0.2915% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   MET   96  14.47 +/- 0.74   0.004% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   MET   96  17.05 +/- 1.74   0.001% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   MET   96  18.04 +/- 0.70   0.001% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   MET   96  18.76 +/- 1.37   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   PRO   52  21.01 +/- 2.24   0.001% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   PRO   52  22.89 +/- 2.61   0.000% *  0.0223% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   PRO   52  30.79 +/- 3.97   0.000% *  0.0212% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   PRO   52  27.43 +/- 2.21   0.000% *  0.0165% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1125 (1.93, 2.61, 32.67 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.6:
    * O T HB3   MET   96 - HG2   MET   96   2.89 +/- 0.16  99.152% * 99.3732% (1.00  10.0 10.00   4.44 115.57) = 100.000%  kept
          HB3   ARG+  54 - HB2   PRO   52   6.71 +/- 0.66   0.809% *  0.0073% (0.07   1.0  1.00   0.02   1.74) =   0.000%
          HB2   LEU   40 - HG2   MET   96  11.33 +/- 0.67   0.031% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   MET   96 - HB2   PRO   52  16.77 +/- 2.35   0.004% *  0.2919% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG2   MET   96  22.65 +/- 1.68   0.001% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG2   MET   96  20.38 +/- 2.37   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   PRO   52  24.45 +/- 3.23   0.001% *  0.0234% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   MET   96  30.59 +/- 3.60   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   PRO   52  28.75 +/- 3.28   0.000% *  0.0253% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   52  37.84 +/- 5.00   0.000% *  0.0201% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1126 (2.61, 2.61, 32.67 ppm):
    2 diagonal assignments:
    *     HG2   MET   96 - HG2   MET   96  (1.00)  kept
          HB2   PRO   52 - HB2   PRO   52  (0.11)  kept
 
    Peak 1127 (2.47, 2.61, 32.67 ppm):
    10 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 115.6:
    * O T HG3   MET   96 - HG2   MET   96   1.75 +/- 0.00  99.993% * 99.2819% (0.61  10.0 10.00   4.00 115.57) = 100.000%  kept
          HB3   TRP   87 - HG2   MET   96  10.18 +/- 2.54   0.006% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   96 - HB2   PRO   52  18.26 +/- 3.03   0.000% *  0.2916% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HB2   PRO   52  16.01 +/- 1.02   0.000% *  0.1071% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   MET   96  19.71 +/- 1.21   0.000% *  0.1367% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   PRO   52  15.26 +/- 2.38   0.001% *  0.0134% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG2   MET   96  16.64 +/- 0.70   0.000% *  0.0364% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG2   MET   96  18.95 +/- 1.27   0.000% *  0.0455% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB2   PRO   52  16.71 +/- 2.71   0.000% *  0.0107% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   PRO   52  34.78 +/- 3.24   0.000% *  0.0402% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1128 (5.31, 2.47, 32.67 ppm):
    2 chemical-shift based assignments, quality = 0.595, support = 4.44, residual support = 115.6:
    * O T HA    MET   96 - HG3   MET   96   2.72 +/- 0.52  99.946% * 99.9773% (0.59  10.0 10.00   4.44 115.57) = 100.000%  kept
          HA    PHE   72 - HG3   MET   96  10.84 +/- 0.66   0.054% *  0.0227% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1129 (2.21, 2.47, 32.67 ppm):
    7 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.6:
    * O T HB2   MET   96 - HG3   MET   96   2.72 +/- 0.34  99.722% * 99.6213% (0.61  10.0 10.00   4.44 115.57) = 100.000%  kept
          HB2   ASP- 105 - HG3   MET   96   8.46 +/- 1.08   0.260% *  0.0410% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   MET   96  13.59 +/- 1.02   0.008% *  0.0761% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   MET   96  14.83 +/- 1.19   0.004% *  0.0723% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   MET   96  16.86 +/- 1.80   0.003% *  0.0644% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   MET   96  18.10 +/- 0.82   0.001% *  0.0684% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   MET   96  18.78 +/- 1.33   0.001% *  0.0564% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1130 (1.93, 2.47, 32.67 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.6:
    * O T HB3   MET   96 - HG3   MET   96   2.77 +/- 0.21  99.971% * 99.7402% (0.61  10.0 10.00   4.44 115.57) = 100.000%  kept
          HB2   LEU   40 - HG3   MET   96  11.65 +/- 1.07   0.028% *  0.0799% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG3   MET   96  22.76 +/- 1.82   0.000% *  0.0865% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG3   MET   96  20.14 +/- 2.52   0.001% *  0.0249% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HG3   MET   96  30.80 +/- 3.43   0.000% *  0.0685% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1131 (2.61, 2.47, 32.67 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 115.6:
    * O T HG2   MET   96 - HG3   MET   96   1.75 +/- 0.00 100.000% * 99.6261% (0.61  10.0 10.00   4.00 115.57) = 100.000%  kept
        T HB2   PRO   52 - HG3   MET   96  18.26 +/- 3.03   0.000% *  0.3739% (0.23   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1132 (2.47, 2.47, 32.67 ppm):
    1 diagonal assignment:
    *     HG3   MET   96 - HG3   MET   96  (0.37)  kept
 
    Peak 1133 (5.36, 5.36, 56.63 ppm):
    1 diagonal assignment:
    *     HA    PHE   97 - HA    PHE   97  (1.00)  kept
 
    Peak 1134 (2.99, 5.36, 56.63 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.89, residual support = 62.7:
    * O T HB2   PHE   97 - HA    PHE   97   2.95 +/- 0.21  99.110% * 99.7149% (1.00  10.0 10.00   2.89  62.71) = 100.000%  kept
          QE    LYS+ 106 - HA    PHE   97   8.12 +/- 0.76   0.282% *  0.0724% (0.73   1.0  1.00   0.02   8.66) =   0.000%
          QE    LYS+  99 - HA    PHE   97   7.33 +/- 0.45   0.496% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    PHE   97  11.53 +/- 1.73   0.070% *  0.0525% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   97  12.12 +/- 1.42   0.030% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    PHE   97  13.94 +/- 1.10   0.012% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1135 (2.36, 5.36, 56.63 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.44, residual support = 62.7:
    * O T HB3   PHE   97 - HA    PHE   97   2.63 +/- 0.19  99.970% * 99.7224% (0.95  10.0 10.00   3.44  62.71) = 100.000%  kept
          HB2   GLU- 100 - HA    PHE   97  10.98 +/- 0.51   0.022% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PHE   97  16.36 +/- 2.38   0.005% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    PHE   97  16.31 +/- 0.86   0.002% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    PHE   97  18.48 +/- 1.96   0.001% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1136 (5.36, 2.99, 40.60 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.89, residual support = 62.7:
    * O T HA    PHE   97 - HB2   PHE   97   2.95 +/- 0.21 100.000% *100.0000% (1.00  10.0 10.00   2.89  62.71) = 100.000%  kept
    Distance limit 3.72 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 = 62.7:
    * O T HB3   PHE   97 - HB2   PHE   97   1.75 +/- 0.00  99.997% * 99.7224% (0.95  10.0 10.00   3.31  62.71) = 100.000%  kept
          HB2   PRO   58 - HB2   PHE   97  15.86 +/- 2.73   0.002% *  0.0945% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   PHE   97  11.57 +/- 0.86   0.001% *  0.0766% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   PHE   97  14.50 +/- 0.81   0.000% *  0.0881% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   97  20.39 +/- 2.05   0.000% *  0.0185% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1139 (5.36, 2.36, 40.60 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.44, residual support = 62.7:
    * O T HA    PHE   97 - HB3   PHE   97   2.63 +/- 0.19 100.000% *100.0000% (0.95  10.0 10.00   3.44  62.71) = 100.000%  kept
    Distance limit 3.49 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 = 62.7:
    * O T HB2   PHE   97 - HB3   PHE   97   1.75 +/- 0.00  99.917% * 99.7149% (0.95  10.0 10.00   3.31  62.71) = 100.000%  kept
          QE    LYS+ 106 - HB3   PHE   97   7.30 +/- 1.20   0.030% *  0.0724% (0.69   1.0  1.00   0.02   8.66) =   0.000%
          QE    LYS+  99 - HB3   PHE   97   6.80 +/- 0.82   0.041% *  0.0410% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   PHE   97  12.14 +/- 2.51   0.010% *  0.0525% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   PHE   97  14.54 +/- 1.34   0.000% *  0.0995% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   PHE   97  14.24 +/- 1.41   0.001% *  0.0197% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 81.7:
    * O T QB    LEU   98 - HA    LEU   98   2.23 +/- 0.10  99.945% * 99.2568% (0.87  10.0 10.00   4.97  81.72) = 100.000%  kept
          HD3   LYS+ 121 - HA    LEU   98  12.57 +/- 2.58   0.008% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LEU   98   8.65 +/- 0.62   0.033% *  0.0226% (0.20   1.0  1.00   0.02   0.47) =   0.000%
          HB3   LEU   73 - HA    LEU   98  12.17 +/- 0.95   0.005% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LEU   98  13.79 +/- 2.75   0.003% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LEU   98  17.31 +/- 0.79   0.001% *  0.1142% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LEU   98  17.17 +/- 1.79   0.001% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LEU   98  14.31 +/- 0.94   0.002% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LEU   98  19.26 +/- 3.24   0.000% *  0.1104% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LEU   98  17.15 +/- 0.80   0.000% *  0.0602% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LEU   98  16.42 +/- 1.26   0.001% *  0.0353% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LEU   98  19.19 +/- 3.91   0.000% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   98  21.58 +/- 2.79   0.000% *  0.0694% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   98  20.14 +/- 0.75   0.000% *  0.0226% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1144 (0.71, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.985, support = 4.78, residual support = 80.1:
    *   T QD1   LEU   98 - HA    LEU   98   2.85 +/- 0.49  70.506% * 94.7882% (1.00 10.00   4.81  81.72) =  97.775%  kept
          QD2   LEU  104 - HA    LEU   98   3.64 +/- 0.92  29.483% *  5.1575% (0.31  1.00   3.53   6.70) =   2.225%  kept
          QG2   ILE   19 - HA    LEU   98  13.33 +/- 1.00   0.007% *  0.0356% (0.38  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU   98  14.29 +/- 1.27   0.005% *  0.0188% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1145 (0.55, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.37, residual support = 81.3:
    *   T QD2   LEU   98 - HA    LEU   98   3.75 +/- 0.47  92.082% * 89.9245% (1.00 10.00   4.39  81.72) =  99.182%  kept
          QG2   VAL   41 - HA    LEU   98   6.00 +/- 0.70   7.470% *  9.1393% (0.95  1.00   2.15  28.00) =   0.818%  kept
        T QD1   LEU   80 - HA    LEU   98  16.56 +/- 3.31   0.026% *  0.8992% (1.00 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   98   9.86 +/- 1.24   0.422% *  0.0370% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 81.7:
    * O T HA    LEU   98 - QB    LEU   98   2.23 +/- 0.10 100.000% *100.0000% (0.87  10.0 10.00   4.97  81.72) = 100.000%  kept
    Distance limit 3.16 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 = 3.84, residual support = 81.7:
    * O T QD1   LEU   98 - QB    LEU   98   2.18 +/- 0.14  94.591% * 99.3996% (0.87  10.0 10.00   3.84  81.72) =  99.998%  kept
          QD2   LEU  104 - QB    LEU   98   4.73 +/- 1.05   5.397% *  0.0307% (0.27   1.0  1.00   0.02   6.70) =   0.002%
        T QG2   ILE   19 - QB    LEU   98  10.81 +/- 1.01   0.008% *  0.3731% (0.33   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   ILE   19 - QB    LEU   98  11.78 +/- 1.22   0.005% *  0.1967% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1149 (0.55, 1.41, 47.50 ppm):
    4 chemical-shift based assignments, quality = 0.865, support = 3.4, residual support = 78.9:
    * O T QD2   LEU   98 - QB    LEU   98   2.11 +/- 0.13  94.449% * 51.1151% (0.87  10.0 10.00   3.44  81.72) =  94.751%  kept
        T QG2   VAL   41 - QB    LEU   98   3.71 +/- 0.95   5.532% * 48.3528% (0.82   1.0 10.00   2.62  28.00) =   5.249%  kept
        T QD1   LEU   80 - QB    LEU   98  13.50 +/- 2.96   0.002% *  0.5112% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QB    LEU   98   9.51 +/- 1.23   0.017% *  0.0210% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1150 (5.51, 0.71, 25.69 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.81, residual support = 81.7:
    *   T HA    LEU   98 - QD1   LEU   98   2.85 +/- 0.49 100.000% *100.0000% (1.00 10.00   4.81  81.72) = 100.000%  kept
    Distance limit 3.27 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1151 (1.41, 0.71, 25.69 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 3.84, residual support = 81.7:
    * O T QB    LEU   98 - QD1   LEU   98   2.18 +/- 0.14  99.782% * 98.1517% (0.87  10.0 10.00   3.84  81.72) = 100.000%  kept
          HB    VAL   42 - QD1   LEU   98   7.55 +/- 1.32   0.147% *  0.0224% (0.20   1.0  1.00   0.02   0.47) =   0.000%
        T HG    LEU   80 - QD1   LEU   98  14.13 +/- 3.74   0.003% *  0.5508% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HG12  ILE   19 - QD1   LEU   98  14.15 +/- 1.90   0.003% *  0.6863% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   98  12.25 +/- 1.93   0.008% *  0.1132% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   98   9.16 +/- 1.26   0.033% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   98  13.53 +/- 1.39   0.003% *  0.1129% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   LEU   98  14.22 +/- 3.27   0.003% *  0.1092% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   98  12.76 +/- 2.49   0.007% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   98  14.06 +/- 1.72   0.004% *  0.0349% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   98  11.64 +/- 0.76   0.005% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   98  14.01 +/- 1.67   0.002% *  0.0595% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   98  18.07 +/- 2.67   0.001% *  0.0686% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   98  17.62 +/- 1.41   0.000% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1152 (0.71, 0.71, 25.69 ppm):
    1 diagonal assignment:
    *     QD1   LEU   98 - QD1   LEU   98  (1.00)  kept
 
    Peak 1153 (0.55, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 81.7:
    * O T QD2   LEU   98 - QD1   LEU   98   2.05 +/- 0.06  98.185% * 98.8770% (1.00  10.0 10.00   2.81  81.72) =  99.998%  kept
          QG2   VAL   41 - QD1   LEU   98   4.37 +/- 0.67   1.791% *  0.0935% (0.95   1.0  1.00   0.02  28.00) =   0.002%
        T QD1   LEU   80 - QD1   LEU   98  12.27 +/- 3.22   0.005% *  0.9888% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD1   LEU   98   9.22 +/- 1.25   0.019% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1154 (5.51, 0.55, 25.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.39, residual support = 81.7:
    *   T HA    LEU   98 - QD2   LEU   98   3.75 +/- 0.47  99.971% * 99.4301% (1.00 10.00   4.39  81.72) = 100.000%  kept
        T HA    LEU   98 - QD1   LEU   80  16.56 +/- 3.31   0.029% *  0.5699% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 0.704, support = 3.92, residual support = 81.1:
    * O T QB    LEU   98 - QD2   LEU   98   2.11 +/- 0.13  43.697% * 50.3539% (0.87  10.0 10.00   3.44  81.72) =  66.338%  kept
      O   HG    LEU   80 - QD1   LEU   80   2.10 +/- 0.02  43.127% * 16.1964% (0.28  10.0  1.00   4.64  80.01) =  21.059%  kept
      O T HB2   LEU   80 - QD1   LEU   80   2.75 +/- 0.42  13.017% * 32.1120% (0.55  10.0 10.00   5.24  80.01) =  12.603%  kept
          HB3   LYS+  74 - QD1   LEU   80   7.79 +/- 1.91   0.037% *  0.0332% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   80 - QD2   LEU   98  13.15 +/- 3.52   0.001% *  0.5602% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   98   6.79 +/- 1.06   0.059% *  0.0115% (0.20   1.0  1.00   0.02   0.47) =   0.000%
        T QB    LEU   98 - QD1   LEU   80  13.50 +/- 2.96   0.001% *  0.2886% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD2   LEU   98   7.87 +/- 1.21   0.022% *  0.0090% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   98  13.26 +/- 2.41   0.002% *  0.0580% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   80   8.48 +/- 2.45   0.019% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   98  12.43 +/- 1.33   0.001% *  0.0579% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   98  10.23 +/- 1.05   0.004% *  0.0145% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD2   LEU   98  12.97 +/- 4.11   0.002% *  0.0283% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   98  12.86 +/- 1.78   0.001% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD2   LEU   98  12.29 +/- 2.09   0.003% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   LEU   80  12.58 +/- 1.79   0.001% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   98  14.39 +/- 1.31   0.000% *  0.0305% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   98  13.74 +/- 1.32   0.001% *  0.0179% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   80  16.57 +/- 3.53   0.001% *  0.0202% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   98  17.07 +/- 2.75   0.000% *  0.0352% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   80  14.91 +/- 2.47   0.001% *  0.0175% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   80  13.87 +/- 1.65   0.001% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   80  13.22 +/- 2.24   0.001% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   80  14.89 +/- 2.44   0.000% *  0.0083% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   98  17.16 +/- 1.14   0.000% *  0.0115% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   80  22.37 +/- 2.80   0.000% *  0.0333% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   80  18.39 +/- 2.14   0.000% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   80  18.98 +/- 1.57   0.000% *  0.0066% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1156 (0.71, 0.55, 25.87 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 81.7:
    * O T QD1   LEU   98 - QD2   LEU   98   2.05 +/- 0.06  96.379% * 98.8641% (1.00  10.0 10.00   2.81  81.72) =  99.989%  kept
        T QD2   LEU  104 - QD2   LEU   98   5.75 +/- 1.34   3.563% *  0.3051% (0.31   1.0 10.00   0.02   6.70) =   0.011%
        T QD1   LEU   98 - QD1   LEU   80  12.27 +/- 3.22   0.005% *  0.5667% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD1   LEU   80   8.78 +/- 1.65   0.024% *  0.0213% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD2   LEU   98   9.49 +/- 1.10   0.013% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   80  16.33 +/- 3.37   0.001% *  0.1749% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   98  10.56 +/- 1.26   0.008% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   80  10.38 +/- 1.48   0.007% *  0.0112% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1157 (0.55, 0.55, 25.87 ppm):
    2 diagonal assignments:
    *     QD2   LEU   98 - QD2   LEU   98  (1.00)  kept
          QD1   LEU   80 - QD1   LEU   80  (0.57)  kept
 
    Peak 1158 (4.38, 4.38, 58.15 ppm):
    1 diagonal assignment:
    *     HA    LYS+  99 - HA    LYS+  99  (1.00)  kept
 
    Peak 1160 (1.24, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 171.0:
    * O T HG3   LYS+  99 - HA    LYS+  99   2.84 +/- 0.44  98.437% * 98.7502% (1.00  10.0 10.00   6.44 171.04) =  99.998%  kept
        T HG3   LYS+  38 - HA    LYS+  99   7.70 +/- 1.25   0.341% *  0.3706% (0.38   1.0 10.00   0.02   0.02) =   0.001%
          QG2   THR   39 - HA    LYS+  99   6.63 +/- 0.68   0.970% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.001%
          HG    LEU   71 - HA    LYS+  99   8.91 +/- 1.39   0.227% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HA    LYS+  99  20.78 +/- 2.23   0.002% *  0.4060% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  99  15.54 +/- 1.50   0.007% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  99  17.02 +/- 2.17   0.012% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  99  18.05 +/- 1.08   0.002% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  99  19.37 +/- 1.48   0.002% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LYS+  99  24.15 +/- 2.23   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1161 (1.70, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.552, support = 5.8, residual support = 171.0:
      O T HB3   LYS+  99 - HA    LYS+  99   2.76 +/- 0.30  88.322% * 28.6795% (0.41  10.0 10.00   5.80 171.04) =  76.106%  kept
    *   T QD    LYS+  99 - HA    LYS+  99   4.02 +/- 0.26  11.400% * 69.7607% (1.00   1.0 10.00   5.82 171.04) =  23.894%  kept
        T QD    LYS+ 106 - HA    LYS+  99  12.28 +/- 0.64   0.014% *  0.6961% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LYS+  99   8.13 +/- 0.91   0.246% *  0.0155% (0.22   1.0  1.00   0.02   1.82) =   0.000%
        T HB2   LEU  123 - HA    LYS+  99  16.73 +/- 3.06   0.004% *  0.2868% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HA    LYS+  99  17.22 +/- 1.65   0.002% *  0.3670% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+  99  13.17 +/- 1.25   0.012% *  0.0644% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  99  22.29 +/- 0.37   0.000% *  0.0559% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+  99  24.33 +/- 2.30   0.000% *  0.0479% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  99  22.22 +/- 0.76   0.000% *  0.0262% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1162 (1.33, 4.38, 58.15 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.06, residual support = 171.0:
    * O T HG2   LYS+  99 - HA    LYS+  99   2.81 +/- 0.43  91.158% * 98.5233% (1.00  10.0 10.00   7.06 171.04) =  99.995%  kept
        T HG2   LYS+  38 - HA    LYS+  99   7.99 +/- 0.89   0.259% *  0.9657% (0.98   1.0 10.00   0.02   0.02) =   0.003%
          HG    LEU   98 - HA    LYS+  99   5.62 +/- 1.17   8.508% *  0.0219% (0.22   1.0  1.00   0.02  17.66) =   0.002%
          HB2   LEU   31 - HA    LYS+  99  11.07 +/- 0.77   0.034% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  99  14.23 +/- 3.71   0.024% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  99  14.48 +/- 1.09   0.007% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  99  15.50 +/- 1.01   0.005% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  99  19.83 +/- 2.10   0.001% *  0.0715% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  99  18.10 +/- 1.65   0.002% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  99  21.09 +/- 3.08   0.001% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  99  23.76 +/- 2.42   0.000% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  99  19.87 +/- 1.54   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1163 (3.01, 4.38, 58.15 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 171.0:
    *   T QE    LYS+  99 - HA    LYS+  99   3.86 +/- 0.38  95.456% * 98.3577% (1.00 10.00   5.27 171.04) =  99.974%  kept
        T QE    LYS+  38 - HA    LYS+  99   8.22 +/- 0.89   1.750% *  0.8821% (0.90 10.00   0.02   0.02) =   0.016%
        T QE    LYS+ 102 - HA    LYS+  99   8.71 +/- 0.85   1.198% *  0.6756% (0.69 10.00   0.02   1.82) =   0.009%
          HB2   PHE   97 - HA    LYS+  99   7.87 +/- 0.57   1.541% *  0.0404% (0.41  1.00   0.02   0.02) =   0.001%
          HB3   TRP   27 - HA    LYS+  99  14.24 +/- 1.39   0.055% *  0.0441% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1164 (4.38, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.0, residual support = 171.0:
    * O T HA    LYS+  99 - HB2   LYS+  99   2.72 +/- 0.26  91.931% * 99.5483% (1.00  10.0 10.00   7.00 171.04) =  99.998%  kept
          HA    LEU   40 - HB2   LYS+  99   4.42 +/- 0.88   8.005% *  0.0248% (0.25   1.0  1.00   0.02  11.63) =   0.002%
          HA    ASN   35 - HB2   LYS+  99   9.94 +/- 0.80   0.049% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LYS+  99  14.07 +/- 3.50   0.009% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LYS+  99  20.85 +/- 2.81   0.001% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   LYS+  99  17.24 +/- 2.08   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LYS+  99  21.63 +/- 0.97   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LYS+  99  17.68 +/- 2.13   0.002% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LYS+  99  20.69 +/- 2.62   0.001% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LYS+  99  22.48 +/- 2.53   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1165 (1.77, 1.77, 37.34 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  99 - HB2   LYS+  99  (1.00)  kept
 
    Peak 1166 (1.24, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 171.0:
    * O T HG3   LYS+  99 - HB2   LYS+  99   2.55 +/- 0.21  99.743% * 98.7502% (1.00  10.0 10.00   6.44 171.04) = 100.000%  kept
        T HG3   LYS+  38 - HB2   LYS+  99   9.30 +/- 1.19   0.066% *  0.3706% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HB2   LYS+  99   7.95 +/- 0.78   0.137% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB2   LYS+  99  10.63 +/- 1.60   0.034% *  0.0979% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  99  16.57 +/- 2.51   0.016% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HB2   LYS+  99  21.36 +/- 2.45   0.000% *  0.4060% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  99  17.01 +/- 1.60   0.002% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  99  18.89 +/- 1.42   0.001% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  99  19.41 +/- 1.55   0.001% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+  99  23.03 +/- 2.37   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1167 (1.70, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.547, support = 4.87, residual support = 171.0:
      O   HB3   LYS+  99 - HB2   LYS+  99   1.75 +/- 0.00  89.031% * 29.0322% (0.41  10.0   4.62 171.04) =  76.980%  kept
    * O   QD    LYS+  99 - HB2   LYS+  99   2.57 +/- 0.29  10.945% * 70.6187% (1.00  10.0   5.69 171.04) =  23.020%  kept
          QD    LYS+ 102 - HB2   LYS+  99   7.69 +/- 1.31   0.022% *  0.0157% (0.22   1.0   0.02   1.82) =   0.000%
          QD    LYS+ 106 - HB2   LYS+  99  11.32 +/- 0.57   0.001% *  0.0705% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+  99  14.69 +/- 1.56   0.000% *  0.0652% (0.92   1.0   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+  99  14.87 +/- 3.09   0.000% *  0.0290% (0.41   1.0   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB2   LYS+  99  16.63 +/- 1.99   0.000% *  0.0372% (0.53   1.0   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+  99  21.99 +/- 0.78   0.000% *  0.0565% (0.80   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HB2   LYS+  99  23.13 +/- 2.41   0.000% *  0.0485% (0.69   1.0   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB2   LYS+  99  22.00 +/- 0.85   0.000% *  0.0265% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1168 (1.33, 1.77, 37.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.05, residual support = 171.0:
    * O   HG2   LYS+  99 - HB2   LYS+  99   2.97 +/- 0.18  98.773% * 99.3871% (1.00  10.0   7.05 171.04) = 100.000%  kept
          HG    LEU   98 - HB2   LYS+  99   6.70 +/- 0.76   1.033% *  0.0221% (0.22   1.0   0.02  17.66) =   0.000%
          HG2   LYS+  38 - HB2   LYS+  99   9.75 +/- 0.97   0.095% *  0.0974% (0.98   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  99  12.85 +/- 3.65   0.063% *  0.0307% (0.31   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+  99  13.44 +/- 0.88   0.014% *  0.0830% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  99  14.01 +/- 1.50   0.012% *  0.0563% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  99  15.93 +/- 1.43   0.005% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  99  20.26 +/- 2.31   0.001% *  0.0722% (0.73   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  99  18.63 +/- 1.78   0.002% *  0.0339% (0.34   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  99  22.59 +/- 2.63   0.001% *  0.0891% (0.90   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  99  22.46 +/- 3.21   0.001% *  0.0683% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+  99  20.67 +/- 1.71   0.001% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1169 (3.01, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 171.0:
    *     QE    LYS+  99 - HB2   LYS+  99   3.15 +/- 0.63  97.545% * 99.0418% (1.00   5.05 171.04) =  99.994%  kept
          HB2   PHE   97 - HB2   LYS+  99   6.82 +/- 0.64   1.341% *  0.1612% (0.41   0.02   0.02) =   0.002%
          QE    LYS+ 102 - HB2   LYS+  99   8.46 +/- 1.12   0.762% *  0.2694% (0.69   0.02   1.82) =   0.002%
          QE    LYS+  38 - HB2   LYS+  99   9.26 +/- 1.19   0.344% *  0.3517% (0.90   0.02   0.02) =   0.001%
          HB3   TRP   27 - HB2   LYS+  99  16.09 +/- 1.58   0.008% *  0.1758% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1170 (4.38, 1.24, 26.01 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 171.0:
    * O T HA    LYS+  99 - HG3   LYS+  99   2.84 +/- 0.44  78.597% * 97.9094% (1.00  10.0 10.00   6.44 171.04) =  99.994%  kept
          HA    LEU   40 - HG3   LYS+  99   4.13 +/- 1.08  15.505% *  0.0244% (0.25   1.0  1.00   0.02  11.63) =   0.005%
          HA    ASN   35 - HG3   LYS+  38   4.91 +/- 0.92   5.254% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.001%
        T HA    LYS+  99 - HG3   LYS+  38   7.70 +/- 1.25   0.271% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   LYS+  99   8.58 +/- 1.03   0.141% *  0.0945% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  99  22.58 +/- 2.68   0.001% *  0.9262% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  99  14.90 +/- 3.71   0.007% *  0.0849% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  99 - HG12  ILE   89  20.78 +/- 2.23   0.001% *  0.3971% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   LYS+  38   8.00 +/- 0.85   0.206% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG12  ILE   89  17.76 +/- 2.05   0.002% *  0.0376% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  99  18.76 +/- 1.95   0.001% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  99  17.24 +/- 2.44   0.002% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  99  23.64 +/- 1.04   0.000% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG12  ILE   89  23.21 +/- 2.36   0.001% *  0.0383% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG12  ILE   89  22.34 +/- 2.60   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  38  28.30 +/- 2.61   0.000% *  0.0966% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG12  ILE   89  20.60 +/- 1.94   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  99  22.03 +/- 2.42   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG12  ILE   89  19.66 +/- 1.70   0.001% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  38  20.57 +/- 4.60   0.001% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  99  21.63 +/- 2.84   0.001% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG12  ILE   89  26.78 +/- 2.18   0.000% *  0.0344% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG12  ILE   89  20.65 +/- 1.90   0.001% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  38  18.30 +/- 2.48   0.002% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  38  20.68 +/- 3.68   0.001% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG12  ILE   89  25.08 +/- 2.21   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG12  ILE   89  29.61 +/- 3.85   0.000% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  38  24.41 +/- 2.02   0.000% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  38  30.17 +/- 1.40   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  38  27.13 +/- 2.29   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 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 = 0.933, support = 4.59, residual support = 174.6:
    * O T QE    LYS+  99 - HG3   LYS+  99   2.58 +/- 0.55  53.672% * 89.0505% (1.00  10.0 10.00   4.62 171.04) =  92.638%  kept
      O T QE    LYS+  38 - HG3   LYS+  38   2.63 +/- 0.41  45.513% *  8.3338% (0.09  10.0 10.00   4.26 219.19) =   7.352%  kept
        T QE    LYS+  38 - HG3   LYS+  99   7.44 +/- 1.20   0.654% *  0.7986% (0.90   1.0 10.00   0.02   0.02) =   0.010%
        T QE    LYS+ 102 - HG3   LYS+  99   9.45 +/- 1.37   0.036% *  0.6117% (0.69   1.0 10.00   0.02   1.82) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  38   7.75 +/- 0.87   0.078% *  0.0929% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  38  12.17 +/- 2.25   0.014% *  0.0638% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  99   9.06 +/- 0.62   0.024% *  0.0366% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG12  ILE   89  18.24 +/- 3.36   0.001% *  0.2481% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG12  ILE   89  13.26 +/- 2.65   0.005% *  0.0162% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG12  ILE   89  20.92 +/- 1.79   0.000% *  0.3611% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  99  16.58 +/- 1.73   0.001% *  0.0399% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG12  ILE   89  25.22 +/- 2.11   0.000% *  0.3239% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG12  ILE   89  16.68 +/- 2.06   0.001% *  0.0148% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  38  15.35 +/- 1.19   0.001% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  38  17.66 +/- 1.20   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1176 (4.38, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 5.81, residual support = 170.8:
    *   T HA    LYS+  99 - QD    LYS+  99   4.02 +/- 0.26  73.285% * 95.3484% (1.00 10.00   5.82 171.04) =  99.878%  kept
          HA    LEU   40 - QD    LYS+  99   4.96 +/- 0.73  25.335% *  0.3177% (0.25  1.00   0.27  11.63) =   0.115%
        T HA    LEU  123 - QD    LYS+  99  11.86 +/- 3.00   0.274% *  0.8271% (0.87 10.00   0.02   0.02) =   0.003%
        T HA    LYS+  99 - QD    LYS+ 106  12.28 +/- 0.64   0.104% *  0.7677% (0.81 10.00   0.02   0.02) =   0.001%
        T HA    ILE   56 - QD    LYS+ 106  13.61 +/- 2.19   0.081% *  0.7262% (0.76 10.00   0.02   0.02) =   0.001%
          HA    ASN   35 - QD    LYS+  99   9.46 +/- 0.84   0.514% *  0.0920% (0.97  1.00   0.02   0.02) =   0.001%
        T HA    LEU  123 - QD    LYS+ 106  15.42 +/- 1.28   0.029% *  0.6659% (0.70 10.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - QD    LYS+  99  19.66 +/- 2.62   0.011% *  0.9020% (0.95 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD    LYS+ 106  12.85 +/- 1.20   0.098% *  0.0641% (0.67  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+ 106  13.13 +/- 1.39   0.083% *  0.0191% (0.20  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD    LYS+ 106  13.12 +/- 0.75   0.070% *  0.0191% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    LYS+ 106  17.71 +/- 1.08   0.012% *  0.0741% (0.78  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+  99  16.06 +/- 1.62   0.021% *  0.0238% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD    LYS+  99  19.96 +/- 0.67   0.005% *  0.0796% (0.84  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+ 106  16.32 +/- 2.13   0.032% *  0.0118% (0.12  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+  99  15.85 +/- 2.09   0.026% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+  99  19.14 +/- 2.32   0.010% *  0.0147% (0.15  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+  99  19.95 +/- 2.45   0.007% *  0.0129% (0.14  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+ 106  21.51 +/- 1.10   0.004% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+ 106  26.67 +/- 1.93   0.001% *  0.0104% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1179 (1.33, 1.70, 30.22 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.85, residual support = 171.0:
    * O   HG2   LYS+  99 - QD    LYS+  99   2.31 +/- 0.14  99.585% * 97.4178% (1.00  10.0  1.00   5.85 171.04) = 100.000%  kept
        T HG2   LYS+ 111 - QD    LYS+ 106  10.92 +/- 2.88   0.026% *  0.7034% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+  99   8.24 +/- 1.28   0.178% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  99  10.25 +/- 3.33   0.058% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  99   8.18 +/- 0.84   0.069% *  0.0217% (0.22   1.0  1.00   0.02  17.66) =   0.000%
          QB    ALA   88 - QD    LYS+ 106  11.99 +/- 2.53   0.011% *  0.0570% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+ 106   9.18 +/- 1.11   0.033% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 106  11.76 +/- 1.48   0.008% *  0.0352% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 106  12.21 +/- 2.15   0.010% *  0.0268% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  99  13.63 +/- 0.74   0.003% *  0.0814% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    LYS+ 106  13.53 +/- 0.64   0.003% *  0.0784% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  99  13.22 +/- 1.24   0.004% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 106  12.82 +/- 0.87   0.004% *  0.0444% (0.46   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  99  21.40 +/- 1.90   0.000% *  0.8737% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 106  16.54 +/- 1.14   0.001% *  0.0655% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 106  17.58 +/- 3.35   0.001% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  99  15.90 +/- 1.13   0.001% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 106  14.21 +/- 2.27   0.003% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 106  15.38 +/- 1.24   0.001% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+ 106  18.95 +/- 1.15   0.000% *  0.0769% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  99  19.96 +/- 1.87   0.000% *  0.0707% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  99  18.30 +/- 1.38   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  99  22.08 +/- 2.45   0.000% *  0.0669% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  99  20.26 +/- 1.20   0.000% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.24, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 171.0:
    * O T HG3   LYS+  99 - QD    LYS+  99   2.39 +/- 0.15  99.350% * 94.6730% (1.00  10.0 10.00   5.27 171.04) =  99.999%  kept
        T HG3   LYS+  38 - QD    LYS+  99   7.72 +/- 1.25   0.189% *  0.3553% (0.38   1.0 10.00   0.02   0.02) =   0.001%
        T HG12  ILE   89 - QD    LYS+ 106  12.69 +/- 3.30   0.088% *  0.3134% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  99   7.06 +/- 0.78   0.220% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 106  11.46 +/- 2.68   0.042% *  0.2600% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+ 106  10.32 +/- 1.40   0.022% *  0.1697% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+  99  15.86 +/- 2.46   0.014% *  0.2108% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+ 106  13.40 +/- 0.64   0.004% *  0.7623% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  99  10.24 +/- 1.53   0.027% *  0.0938% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+ 106  10.39 +/- 2.09   0.036% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 106  15.56 +/- 1.14   0.002% *  0.7606% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  99  18.44 +/- 1.48   0.001% *  0.9446% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+ 106  18.71 +/- 1.39   0.001% *  0.2861% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  99  15.90 +/- 1.35   0.001% *  0.0896% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+ 106  14.58 +/- 0.52   0.002% *  0.0493% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QD    LYS+  99  21.23 +/- 1.90   0.000% *  0.3892% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 106  16.51 +/- 1.05   0.001% *  0.0756% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  99  21.82 +/- 1.72   0.000% *  0.3229% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  99  19.09 +/- 1.54   0.000% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 106  19.80 +/- 0.95   0.000% *  0.0721% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1181 (3.01, 1.70, 30.22 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 171.0:
    * O T QE    LYS+  99 - QD    LYS+  99   2.09 +/- 0.02  98.005% * 96.3213% (1.00  10.0 10.00   4.00 171.04) =  99.984%  kept
        T QE    LYS+  38 - QD    LYS+  99   7.40 +/- 1.61   1.726% *  0.8638% (0.90   1.0 10.00   0.02   0.02) =   0.016%
        T QE    LYS+ 102 - QD    LYS+  99   8.87 +/- 1.25   0.026% *  0.6616% (0.69   1.0 10.00   0.02   1.82) =   0.000%
        T QE    LYS+ 102 - QD    LYS+ 106   9.50 +/- 1.63   0.029% *  0.5327% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+ 106   6.48 +/- 0.83   0.165% *  0.0319% (0.33   1.0  1.00   0.02   8.66) =   0.000%
        T QE    LYS+  99 - QD    LYS+ 106  12.00 +/- 0.68   0.003% *  0.7755% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+  99   7.69 +/- 0.61   0.046% *  0.0396% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+ 106  17.58 +/- 1.28   0.000% *  0.6955% (0.72   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  16.17 +/- 1.34   0.001% *  0.0432% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  15.98 +/- 1.30   0.001% *  0.0348% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1188 (4.38, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.98, support = 5.18, residual support = 166.7:
    *   T HA    LYS+  99 - QE    LYS+  99   3.86 +/- 0.38  44.634% * 95.8342% (1.00 10.00   5.27 171.04) =  97.301%  kept
          HA    LEU   40 - QE    LYS+  99   3.80 +/- 0.40  48.549% *  2.4289% (0.25  1.00   2.03  11.63) =   2.682%  kept
        T HA    LYS+  99 - QE    LYS+ 102   8.71 +/- 0.85   0.562% *  0.6536% (0.68 10.00   0.02   1.82) =   0.008%
        T HA    LYS+  99 - QE    LYS+  38   8.22 +/- 0.89   0.713% *  0.2585% (0.27 10.00   0.02   0.02) =   0.004%
          HA    ASN   35 - QE    LYS+  38   5.94 +/- 0.82   4.038% *  0.0250% (0.26  1.00   0.02   0.02) =   0.002%
          HA    ASN   35 - QE    LYS+  99   9.21 +/- 0.76   0.250% *  0.0925% (0.97  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - QE    LYS+  99  10.96 +/- 3.50   0.231% *  0.0831% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QE    LYS+ 102  11.54 +/- 1.75   0.167% *  0.0631% (0.66  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+  38   8.73 +/- 0.93   0.604% *  0.0064% (0.07  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+ 102  10.77 +/- 0.95   0.137% *  0.0163% (0.17  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  99  18.73 +/- 2.32   0.008% *  0.0907% (0.95  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  99  14.04 +/- 1.83   0.033% *  0.0130% (0.14  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  99  14.97 +/- 1.55   0.016% *  0.0239% (0.25  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  99  19.60 +/- 0.97   0.003% *  0.0800% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+ 102  19.16 +/- 2.72   0.004% *  0.0567% (0.59  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+  38  19.06 +/- 4.23   0.007% *  0.0224% (0.23  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  99  17.88 +/- 1.93   0.008% *  0.0148% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+ 102  22.12 +/- 1.81   0.002% *  0.0546% (0.57  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  99  18.23 +/- 2.37   0.007% *  0.0130% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+ 102  22.67 +/- 1.67   0.001% *  0.0618% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  38  17.81 +/- 2.60   0.014% *  0.0035% (0.04  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+ 102  20.67 +/- 1.23   0.002% *  0.0163% (0.17  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  38  19.79 +/- 3.47   0.005% *  0.0035% (0.04  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  38  26.66 +/- 2.08   0.001% *  0.0245% (0.26  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+ 102  23.87 +/- 1.99   0.001% *  0.0101% (0.11  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+ 102  22.73 +/- 1.45   0.001% *  0.0088% (0.09  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  38  27.89 +/- 1.74   0.000% *  0.0216% (0.23  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  38  23.09 +/- 1.75   0.001% *  0.0064% (0.07  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+ 102  26.64 +/- 2.50   0.001% *  0.0088% (0.09  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  38  25.62 +/- 2.04   0.001% *  0.0040% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1189 (1.72, 3.01, 42.52 ppm):
    18 chemical-shift based assignments, quality = 0.468, support = 4.13, residual support = 171.0:
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.02  84.827% * 59.3750% (0.41  10.0 10.00   4.00 171.04) =  90.393%  kept
          HB3   LYS+  99 - QE    LYS+  99   3.23 +/- 0.72  13.967% * 38.3100% (1.00   1.0  1.00   5.31 171.04) =   9.603%  kept
        T QD    LYS+  99 - QE    LYS+  38   7.40 +/- 1.61   1.095% *  0.1602% (0.11   1.0 10.00   0.02   0.02) =   0.003%
        T QD    LYS+ 106 - QE    LYS+ 102   9.50 +/- 1.63   0.025% *  0.3697% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QE    LYS+ 102   8.87 +/- 1.25   0.022% *  0.4049% (0.28   1.0 10.00   0.02   1.82) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 102   8.37 +/- 1.19   0.038% *  0.0985% (0.68   1.0  1.00   0.02   1.82) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  12.00 +/- 0.68   0.002% *  0.5420% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+  38   9.01 +/- 1.14   0.019% *  0.0390% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  99  15.13 +/- 1.76   0.001% *  0.1416% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  13.55 +/- 1.08   0.001% *  0.0322% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.58 +/- 1.28   0.000% *  0.1462% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+ 102  19.31 +/- 3.42   0.000% *  0.0753% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 102  18.23 +/- 0.97   0.000% *  0.0965% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  99  21.60 +/- 1.89   0.000% *  0.1104% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  16.92 +/- 1.54   0.000% *  0.0219% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  38  22.11 +/- 1.50   0.000% *  0.0382% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  17.30 +/- 0.93   0.000% *  0.0087% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  38  26.04 +/- 1.88   0.000% *  0.0298% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1190 (1.24, 3.01, 42.52 ppm):
    30 chemical-shift based assignments, quality = 0.929, support = 4.59, residual support = 174.8:
    * O T HG3   LYS+  99 - QE    LYS+  99   2.58 +/- 0.55  53.323% * 88.1476% (1.00  10.0 10.00   4.62 171.04) =  92.111%  kept
      O T HG3   LYS+  38 - QE    LYS+  38   2.63 +/- 0.41  45.078% *  8.9252% (0.10  10.0 10.00   4.26 219.19) =   7.884%  kept
        T HG3   LYS+  99 - QE    LYS+  38   7.44 +/- 1.20   0.618% *  0.2378% (0.27   1.0 10.00   0.02   0.02) =   0.003%
          QG2   THR   39 - QE    LYS+  99   5.69 +/- 0.52   0.494% *  0.0570% (0.65   1.0  1.00   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - QE    LYS+  99   7.75 +/- 0.87   0.077% *  0.3308% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QE    LYS+ 102   9.45 +/- 1.37   0.035% *  0.6011% (0.68   1.0 10.00   0.02   1.82) =   0.000%
          HG    LEU   71 - QE    LYS+  99   8.74 +/- 1.50   0.058% *  0.0874% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+  38   7.67 +/- 1.02   0.271% *  0.0154% (0.17   1.0  1.00   0.02  27.94) =   0.000%
        T HG3   LYS+  38 - QE    LYS+ 102  12.17 +/- 2.25   0.014% *  0.2256% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  38  11.84 +/- 1.61   0.009% *  0.0236% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  99  15.16 +/- 2.23   0.011% *  0.0196% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+ 102  18.24 +/- 3.36   0.001% *  0.2471% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  99  14.23 +/- 1.39   0.002% *  0.0834% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+ 102  12.77 +/- 1.13   0.004% *  0.0389% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 102  15.51 +/- 1.54   0.001% *  0.0596% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  99  20.92 +/- 1.79   0.000% *  0.3624% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  99  17.20 +/- 1.02   0.001% *  0.0880% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+ 102  16.98 +/- 2.40   0.001% *  0.0389% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  99  18.80 +/- 1.19   0.000% *  0.0570% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  38  17.53 +/- 1.57   0.001% *  0.0225% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+ 102  20.63 +/- 1.54   0.000% *  0.0600% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 102  21.01 +/- 1.59   0.000% *  0.0569% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+ 102  17.77 +/- 1.34   0.001% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  38  25.22 +/- 2.11   0.000% *  0.0978% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  99  21.56 +/- 2.10   0.000% *  0.0301% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+ 102  21.72 +/- 2.68   0.000% *  0.0205% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  38  22.45 +/- 1.42   0.000% *  0.0237% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  38  23.45 +/- 1.45   0.000% *  0.0154% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  38  21.47 +/- 1.95   0.000% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  38  29.19 +/- 2.42   0.000% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1193 (3.01, 3.01, 42.52 ppm):
    3 diagonal assignments:
    *     QE    LYS+  99 - QE    LYS+  99  (1.00)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.47)  kept
          QE    LYS+  38 - QE    LYS+  38  (0.24)  kept
 
    Peak 1194 (3.81, 3.81, 57.72 ppm):
    2 diagonal assignments:
    *     HA    GLU- 100 - HA    GLU- 100  (1.00)  kept
          HA    LYS+  38 - HA    LYS+  38  (0.01)  kept
 
    Peak 1195 (2.37, 3.81, 57.72 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.7:
    * O T HB2   GLU- 100 - HA    GLU- 100   2.97 +/- 0.12  97.293% * 99.1823% (1.00  10.0 10.00   4.26  75.70) =  99.998%  kept
        T HB2   GLU- 100 - HA    LYS+  38   6.05 +/- 1.42   2.465% *  0.0599% (0.06   1.0 10.00   0.02   0.02) =   0.002%
          HB3   PHE   97 - HA    GLU- 100  11.12 +/- 0.62   0.038% *  0.0889% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    GLU- 100  10.60 +/- 1.29   0.063% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    LYS+  38   9.14 +/- 0.37   0.123% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    GLU- 100  25.77 +/- 2.33   0.000% *  0.4447% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    LYS+  38  12.94 +/- 0.98   0.016% *  0.0054% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU- 100  23.39 +/- 2.07   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU- 100  25.47 +/- 0.89   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    LYS+  38  26.16 +/- 1.80   0.000% *  0.0269% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  38  23.09 +/- 1.29   0.000% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    LYS+  38  26.96 +/- 1.19   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1196 (2.04, 3.81, 57.72 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.7:
    * O T HB3   GLU- 100 - HA    GLU- 100   2.56 +/- 0.23  94.065% * 99.2716% (1.00  10.0 10.00   4.26  75.70) =  99.996%  kept
        T HB3   GLU- 100 - HA    LYS+  38   5.26 +/- 1.75   5.884% *  0.0600% (0.06   1.0 10.00   0.02   0.02) =   0.004%
          HB2   GLN   30 - HA    GLU- 100  12.72 +/- 1.34   0.008% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 100  14.36 +/- 1.86   0.005% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+  38  11.32 +/- 0.85   0.015% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 100  17.47 +/- 1.97   0.001% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LYS+  38  12.49 +/- 0.83   0.009% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 100  16.93 +/- 2.30   0.002% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU- 100  21.70 +/- 1.55   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU- 100  20.98 +/- 0.70   0.000% *  0.0861% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU- 100  23.67 +/- 0.95   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+  38  15.94 +/- 1.41   0.002% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+  38  14.74 +/- 2.28   0.005% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 100  22.22 +/- 1.39   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLU- 100  30.67 +/- 3.35   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU- 100  26.49 +/- 2.13   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LYS+  38  22.83 +/- 1.83   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LYS+  38  23.35 +/- 1.00   0.000% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+  38  20.63 +/- 1.23   0.000% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LYS+  38  24.71 +/- 1.11   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    LYS+  38  31.25 +/- 2.98   0.000% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LYS+  38  28.44 +/- 2.02   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1197 (2.23, 3.81, 57.72 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.72, residual support = 75.7:
    * O T HG2   GLU- 100 - HA    GLU- 100   2.86 +/- 0.41  80.200% * 99.4988% (1.00  10.0 10.00   4.72  75.70) =  99.985%  kept
        T HG2   GLU- 100 - HA    LYS+  38   4.32 +/- 1.50  19.724% *  0.0601% (0.06   1.0 10.00   0.02   0.02) =   0.015%
          HB2   MET   96 - HA    GLU- 100  12.62 +/- 0.60   0.014% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  12.76 +/- 1.27   0.015% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU- 100  15.31 +/- 0.84   0.004% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU- 100  16.51 +/- 1.61   0.003% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  11.86 +/- 0.82   0.021% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LYS+  38  14.29 +/- 0.78   0.006% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  19.33 +/- 1.41   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU- 100  25.22 +/- 1.72   0.000% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  21.12 +/- 1.58   0.001% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LYS+  38  14.84 +/- 0.29   0.005% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  38  17.53 +/- 1.11   0.002% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU- 100  27.54 +/- 0.86   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  17.68 +/- 1.50   0.002% *  0.0015% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  38  25.12 +/- 0.94   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  20.13 +/- 0.41   0.001% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  38  29.17 +/- 0.72   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1198 (3.81, 2.37, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.7:
    * O T HA    GLU- 100 - HB2   GLU- 100   2.97 +/- 0.12  97.529% * 98.6741% (1.00  10.0 10.00   4.26  75.70) =  99.994%  kept
        T HA    LYS+  38 - HB2   GLU- 100   6.05 +/- 1.42   2.470% *  0.2197% (0.22   1.0 10.00   0.02   0.02) =   0.006%
        T HD2   PRO   58 - HB2   GLU- 100  27.31 +/- 2.49   0.000% *  0.9672% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   GLU- 100  22.26 +/- 3.22   0.001% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLU- 100  28.06 +/- 2.25   0.000% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 75.7:
    * O T HB3   GLU- 100 - HB2   GLU- 100   1.75 +/- 0.00  99.999% * 99.3690% (1.00  10.0 10.00   2.00  75.70) = 100.000%  kept
          HB2   GLN   30 - HB2   GLU- 100  15.04 +/- 1.11   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU- 100  16.72 +/- 1.67   0.000% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB2   GLU- 100  17.91 +/- 2.23   0.000% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB2   GLU- 100  21.27 +/- 1.71   0.000% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB2   GLU- 100  20.88 +/- 1.01   0.000% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB2   GLU- 100  18.17 +/- 2.36   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   GLU- 100  24.39 +/- 1.00   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB2   GLU- 100  23.68 +/- 1.33   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB2   GLU- 100  31.23 +/- 3.14   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU- 100  26.16 +/- 2.37   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1201 (2.23, 2.37, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.7:
    * O T HG2   GLU- 100 - HB2   GLU- 100   2.98 +/- 0.08  99.959% * 99.5837% (1.00  10.0 10.00   3.24  75.70) = 100.000%  kept
          HB2   MET   96 - HB2   GLU- 100  13.41 +/- 0.54   0.013% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLU- 100  14.62 +/- 1.36   0.011% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   GLU- 100  13.54 +/- 1.17   0.014% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU- 100  18.97 +/- 1.36   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   GLU- 100  20.66 +/- 1.36   0.001% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLU- 100  26.90 +/- 1.39   0.000% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   GLU- 100  23.40 +/- 1.26   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU- 100  27.99 +/- 0.71   0.000% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.30 A, kept.
 
    Peak 1202 (3.81, 2.04, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 75.7:
    * O T HA    GLU- 100 - HB3   GLU- 100   2.56 +/- 0.23  94.113% * 99.5406% (1.00  10.0 10.00   4.26  75.70) =  99.986%  kept
        T HA    LYS+  38 - HB3   GLU- 100   5.26 +/- 1.75   5.887% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.014%
          HA    VAL   83 - HB3   GLU- 100  22.47 +/- 3.51   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB3   GLU- 100  28.15 +/- 2.64   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLU- 100  28.77 +/- 2.33   0.000% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1203 (2.37, 2.04, 29.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 75.7:
    * O T HB2   GLU- 100 - HB3   GLU- 100   1.75 +/- 0.00  99.998% * 99.6840% (1.00  10.0 10.00   2.00  75.70) = 100.000%  kept
          HB3   PHE   97 - HB3   GLU- 100  11.98 +/- 0.77   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU- 100  12.01 +/- 1.62   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU- 100  26.00 +/- 1.07   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB3   GLU- 100  25.14 +/- 2.08   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU- 100  26.88 +/- 2.33   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1204 (2.04, 2.04, 29.04 ppm):
    1 diagonal assignment:
    *     HB3   GLU- 100 - HB3   GLU- 100  (1.00)  kept
 
    Peak 1205 (2.23, 2.04, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.7:
    * O T HG2   GLU- 100 - HB3   GLU- 100   2.43 +/- 0.15  99.991% * 99.0882% (1.00  10.0 10.00   3.24  75.70) = 100.000%  kept
        T HB    VAL   70 - HB3   GLU- 100  13.98 +/- 1.18   0.003% *  0.3058% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU- 100  14.08 +/- 0.41   0.003% *  0.0720% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLU- 100  15.77 +/- 1.08   0.002% *  0.0860% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB3   GLU- 100  20.78 +/- 1.43   0.000% *  0.2471% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLU- 100  18.49 +/- 1.78   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLU- 100  27.15 +/- 1.76   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLU- 100  23.11 +/- 1.69   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU- 100  28.80 +/- 0.63   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1206 (3.81, 2.23, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 4.71, residual support = 75.7:
    * O T HA    GLU- 100 - HG2   GLU- 100   2.86 +/- 0.41  80.261% * 99.5406% (1.00  10.0 10.00   4.72  75.70) =  99.945%  kept
        T HA    LYS+  38 - HG2   GLU- 100   4.32 +/- 1.50  19.738% *  0.2216% (0.22   1.0 10.00   0.02   0.02) =   0.055%
          HA    VAL   83 - HG2   GLU- 100  23.02 +/- 3.12   0.000% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLU- 100  27.67 +/- 2.92   0.000% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLU- 100  28.66 +/- 2.60   0.000% *  0.0409% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1207 (2.37, 2.23, 38.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.7:
    * O T HB2   GLU- 100 - HG2   GLU- 100   2.98 +/- 0.08  99.935% * 99.6840% (1.00  10.0 10.00   3.24  75.70) = 100.000%  kept
          HB3   PHE   97 - HG2   GLU- 100  11.94 +/- 1.17   0.031% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLU- 100  11.98 +/- 1.62   0.034% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG2   GLU- 100  25.78 +/- 1.43   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLU- 100  25.09 +/- 1.82   0.000% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU- 100  26.28 +/- 2.51   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1208 (2.04, 2.23, 38.95 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.24, residual support = 75.7:
    * O T HB3   GLU- 100 - HG2   GLU- 100   2.43 +/- 0.15  99.991% * 98.4783% (1.00  10.0 10.00   3.24  75.70) = 100.000%  kept
        T HB3   PRO   68 - HG2   GLU- 100  16.92 +/- 2.06   0.001% *  0.5575% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HG2   GLU- 100  16.89 +/- 2.32   0.001% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   GLU- 100  14.34 +/- 1.52   0.003% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   GLU- 100  15.83 +/- 1.85   0.002% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HG2   GLU- 100  22.81 +/- 1.59   0.000% *  0.2192% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLU- 100  21.87 +/- 1.73   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLU- 100  22.39 +/- 0.90   0.000% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   GLU- 100  25.12 +/- 1.33   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLU- 100  31.75 +/- 3.81   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU- 100  27.37 +/- 2.33   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1209 (2.23, 2.23, 38.95 ppm):
    1 diagonal assignment:
    *     HG2   GLU- 100 - HG2   GLU- 100  (1.00)  kept
 
    Peak 1210 (4.14, 4.14, 45.70 ppm):
    1 diagonal assignment:
    *     HA1   GLY  101 - HA1   GLY  101  (1.00)  kept
 
    Peak 1211 (3.52, 4.14, 45.70 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 15.4:
    * O T HA2   GLY  101 - HA1   GLY  101   1.75 +/- 0.00 100.000% * 99.9625% (1.00  10.0 10.00   2.00  15.44) = 100.000%  kept
          HA    LEU   63 - HA1   GLY  101  19.24 +/- 1.42   0.000% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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  99.995% * 99.5312% (1.00  10.0 10.00   2.00  15.44) = 100.000%  kept
          HA    ALA   34 - HA2   GLY  101  10.44 +/- 1.58   0.003% *  0.0942% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HA2   GLY  101  13.36 +/- 2.34   0.001% *  0.0797% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HA2   GLY  101  18.74 +/- 2.23   0.000% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HA2   GLY  101  21.35 +/- 0.91   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HA2   GLY  101  23.02 +/- 1.49   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HA2   GLY  101  20.77 +/- 4.11   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HA2   GLY  101  28.71 +/- 2.77   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1213 (3.52, 3.52, 45.70 ppm):
    1 diagonal assignment:
    *     HA2   GLY  101 - HA2   GLY  101  (1.00)  kept
 
    Peak 1214 (4.60, 4.60, 54.68 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 102 - HA    LYS+ 102  (1.00)  kept
 
    Peak 1215 (1.81, 4.60, 54.68 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 159.3:
    * O T QB    LYS+ 102 - HA    LYS+ 102   2.34 +/- 0.08  97.872% * 99.0531% (1.00  10.0 10.00   6.31 159.26) =  99.999%  kept
          HG12  ILE  103 - HA    LYS+ 102   4.62 +/- 0.47   2.052% *  0.0338% (0.34   1.0  1.00   0.02  22.44) =   0.001%
        T HB    VAL   41 - HA    LYS+ 102   8.52 +/- 1.36   0.071% *  0.4821% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 102  13.44 +/- 1.05   0.003% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 102  18.12 +/- 1.29   0.001% *  0.0680% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LYS+ 102  21.42 +/- 0.87   0.000% *  0.0971% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 102  22.00 +/- 0.90   0.000% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LYS+ 102  25.60 +/- 3.57   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+ 102  20.90 +/- 2.36   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 102  24.89 +/- 1.16   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1216 (1.45, 4.60, 54.68 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 159.3:
    * O T HG2   LYS+ 102 - HA    LYS+ 102   3.42 +/- 0.29  99.741% * 99.3298% (1.00  10.0 10.00   5.75 159.26) = 100.000%  kept
          HG    LEU   40 - HA    LYS+ 102  10.00 +/- 1.02   0.194% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+ 102  14.70 +/- 1.44   0.020% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+ 102  17.80 +/- 2.54   0.008% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 102  18.24 +/- 2.71   0.007% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    LYS+ 102  19.15 +/- 1.43   0.004% *  0.0862% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+ 102  16.68 +/- 1.71   0.009% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+ 102  19.93 +/- 0.74   0.003% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 102  20.34 +/- 1.35   0.003% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 102  21.38 +/- 4.73   0.004% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 102  19.65 +/- 0.91   0.003% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 102  21.06 +/- 1.89   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+ 102  20.77 +/- 1.20   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1217 (1.38, 4.60, 54.68 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.2:
    * O T HG3   LYS+ 102 - HA    LYS+ 102   2.91 +/- 0.71  81.649% * 96.7067% (1.00  10.0 10.00   5.05 159.26) =  99.991%  kept
          QB    LEU   98 - HA    LYS+ 102   4.41 +/- 0.91  16.413% *  0.0330% (0.34   1.0  1.00   0.02   2.67) =   0.007%
        T HG3   LYS+ 106 - HA    LYS+ 102   9.67 +/- 0.90   0.112% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    LYS+ 102   6.13 +/- 0.88   1.793% *  0.0269% (0.28   1.0  1.00   0.02   2.67) =   0.001%
        T HG3   LYS+  33 - HA    LYS+ 102  16.21 +/- 1.30   0.005% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 102  13.18 +/- 0.81   0.016% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 102  15.71 +/- 1.08   0.005% *  0.0965% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 102  24.85 +/- 0.89   0.000% *  0.9479% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 102  18.96 +/- 2.70   0.002% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 102  17.92 +/- 3.20   0.003% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 102  20.57 +/- 0.91   0.001% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 102  24.41 +/- 3.00   0.001% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 102  25.45 +/- 0.89   0.000% *  0.0959% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 102  21.15 +/- 1.17   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1218 (1.68, 4.60, 54.68 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.3:
    *   T QD    LYS+ 102 - HA    LYS+ 102   3.07 +/- 0.70  99.151% * 98.2489% (1.00 10.00   5.05 159.26) = 100.000%  kept
          QD    LYS+  99 - HA    LYS+ 102   8.19 +/- 0.66   0.529% *  0.0219% (0.22  1.00   0.02   1.82) =   0.000%
          QD    LYS+  38 - HA    LYS+ 102  10.30 +/- 0.97   0.108% *  0.0787% (0.80  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LYS+ 102   9.99 +/- 1.14   0.178% *  0.0245% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 102  15.19 +/- 2.16   0.014% *  0.0517% (0.53  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 102  23.67 +/- 2.83   0.001% *  0.6749% (0.69 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 102  23.02 +/- 1.10   0.001% *  0.5562% (0.57 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 102  16.30 +/- 1.52   0.008% *  0.0404% (0.41  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 102  19.39 +/- 3.53   0.004% *  0.0636% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 102  20.00 +/- 2.56   0.003% *  0.0907% (0.92  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 102  22.80 +/- 1.06   0.001% *  0.0929% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 102  21.61 +/- 0.93   0.001% *  0.0556% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1219 (3.02, 4.60, 54.68 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.3:
    *   T QE    LYS+ 102 - HA    LYS+ 102   3.13 +/- 0.38  99.755% * 98.4155% (1.00 10.00   5.05 159.26) =  99.998%  kept
        T QE    LYS+  99 - HA    LYS+ 102   9.22 +/- 0.64   0.187% *  0.6760% (0.69 10.00   0.02   1.82) =   0.001%
        T QE    LYS+  38 - HA    LYS+ 102  11.36 +/- 0.83   0.058% *  0.9085% (0.92 10.00   0.02   0.02) =   0.001%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1220 (4.60, 1.81, 34.65 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 159.3:
    * O T HA    LYS+ 102 - QB    LYS+ 102   2.34 +/- 0.08  99.916% * 99.1785% (1.00  10.0 10.00   6.31 159.26) = 100.000%  kept
        T HA    LYS+ 102 - HB    VAL   41   8.52 +/- 1.36   0.073% *  0.4456% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HB    VAL   41  13.07 +/- 2.05   0.005% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HB    VAL   41  13.63 +/- 1.14   0.003% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    LYS+ 102  20.04 +/- 1.76   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QB    LYS+ 102  24.65 +/- 3.14   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QB    LYS+ 102  27.28 +/- 3.79   0.000% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    LYS+ 102  19.37 +/- 0.89   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL   41  24.59 +/- 3.13   0.000% *  0.0288% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB    VAL   41  20.39 +/- 1.16   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QB    LYS+ 102  20.53 +/- 1.03   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL   41  22.04 +/- 2.49   0.000% *  0.0200% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1221 (1.81, 1.81, 34.65 ppm):
    2 diagonal assignments:
    *     QB    LYS+ 102 - QB    LYS+ 102  (1.00)  kept
          HB    VAL   41 - HB    VAL   41  (0.22)  kept
 
    Peak 1222 (1.45, 1.81, 34.65 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 159.3:
    * O T HG2   LYS+ 102 - QB    LYS+ 102   2.28 +/- 0.12  95.024% * 96.6607% (1.00  10.0 10.00   5.31 159.26) =  99.998%  kept
          HG    LEU   73 - HB    VAL   41   6.65 +/- 1.55   4.180% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.002%
          HG    LEU   40 - HB    VAL   41   5.71 +/- 0.97   0.707% *  0.0348% (0.36   1.0  1.00   0.02  20.18) =   0.000%
        T HG2   LYS+ 102 - HB    VAL   41  10.37 +/- 1.35   0.016% *  0.4343% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QB    LYS+ 102   9.01 +/- 1.04   0.037% *  0.0774% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB    VAL   41  12.62 +/- 1.54   0.004% *  0.2983% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - QB    LYS+ 102  15.78 +/- 2.54   0.001% *  0.6640% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - QB    LYS+ 102  16.81 +/- 1.46   0.001% *  0.8385% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB    VAL   41  15.40 +/- 0.85   0.001% *  0.3767% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB    VAL   41  12.53 +/- 2.39   0.006% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+ 102  14.35 +/- 1.13   0.002% *  0.0947% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB    VAL   41  12.82 +/- 2.39   0.010% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QB    LYS+ 102  16.24 +/- 2.59   0.001% *  0.0664% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QB    LYS+ 102  14.26 +/- 1.83   0.002% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+ 102  18.08 +/- 0.85   0.000% *  0.0774% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    VAL   41  15.31 +/- 1.12   0.001% *  0.0229% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB    VAL   41  15.64 +/- 3.54   0.002% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QB    LYS+ 102  18.49 +/- 1.10   0.000% *  0.0509% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB    VAL   41  17.44 +/- 1.39   0.001% *  0.0348% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+ 102  18.07 +/- 0.61   0.000% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+ 102  20.78 +/- 4.25   0.000% *  0.0330% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB    VAL   41  16.24 +/- 1.72   0.001% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QB    LYS+ 102  18.70 +/- 1.32   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+ 102  19.63 +/- 1.75   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    VAL   41  18.00 +/- 1.42   0.000% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    VAL   41  18.02 +/- 1.48   0.000% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1223 (1.38, 1.81, 34.65 ppm):
    28 chemical-shift based assignments, quality = 0.878, support = 4.57, residual support = 140.4:
    * O T HG3   LYS+ 102 - QB    LYS+ 102   2.43 +/- 0.17  39.539% * 81.1240% (1.00  10.0 10.00   4.75 159.26) =  85.605%  kept
        T QB    LEU   98 - HB    VAL   41   2.91 +/- 1.46  43.358% * 12.4339% (0.15   1.0 10.00   3.50  28.00) =  14.388%  kept
          HG    LEU   98 - HB    VAL   41   3.79 +/- 1.40  16.162% *  0.0101% (0.12   1.0  1.00   0.02  28.00) =   0.004%
        T HB    VAL   42 - HB    VAL   41   6.11 +/- 0.36   0.171% *  0.3573% (0.44   1.0 10.00   0.02  24.01) =   0.002%
          QB    LEU   98 - QB    LYS+ 102   5.24 +/- 0.66   0.524% *  0.0277% (0.34   1.0  1.00   0.02   2.67) =   0.000%
        T HG3   LYS+ 106 - QB    LYS+ 102   9.10 +/- 0.88   0.017% *  0.7674% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB    VAL   41   9.96 +/- 1.32   0.027% *  0.3448% (0.43   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB    VAL   41   8.02 +/- 1.15   0.090% *  0.0364% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB    VAL   41  10.37 +/- 1.74   0.007% *  0.3645% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+ 102   6.80 +/- 0.77   0.089% *  0.0226% (0.28   1.0  1.00   0.02   2.67) =   0.000%
        T HB    VAL   42 - QB    LYS+ 102  12.49 +/- 0.88   0.002% *  0.7952% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB    VAL   41  10.98 +/- 1.17   0.005% *  0.3448% (0.43   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 102  15.34 +/- 1.26   0.001% *  0.7674% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB    VAL   41  18.69 +/- 0.93   0.000% *  0.3573% (0.44   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 102  22.33 +/- 0.86   0.000% *  0.7952% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 102  15.37 +/- 0.85   0.001% *  0.0809% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QB    LYS+ 102  22.90 +/- 0.63   0.000% *  0.8041% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB    VAL   41  18.10 +/- 3.44   0.001% *  0.0221% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QB    LYS+ 102  15.06 +/- 3.06   0.001% *  0.0161% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HB    VAL   41  23.41 +/- 1.53   0.000% *  0.3613% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    VAL   41  13.58 +/- 1.32   0.003% *  0.0056% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+ 102  18.32 +/- 2.49   0.000% *  0.0304% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB    VAL   41  15.84 +/- 1.23   0.000% *  0.0137% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB    VAL   41  16.48 +/- 0.98   0.000% *  0.0150% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 102  19.30 +/- 0.68   0.000% *  0.0334% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB    VAL   41  16.81 +/- 3.38   0.001% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 102  22.18 +/- 2.96   0.000% *  0.0492% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 102  20.11 +/- 0.89   0.000% *  0.0125% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.68, 1.81, 34.65 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 159.3:
    * O T QD    LYS+ 102 - QB    LYS+ 102   2.20 +/- 0.30  99.035% * 94.6216% (1.00  10.0 10.00   4.75 159.26) =  99.999%  kept
        T QD    LYS+  38 - QB    LYS+ 102   8.63 +/- 1.35   0.067% *  0.7577% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - HB    VAL   41  10.13 +/- 1.18   0.023% *  0.4252% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QB    LYS+ 102   6.31 +/- 1.35   0.437% *  0.0211% (0.22   1.0  1.00   0.02   1.82) =   0.000%
          HB2   LEU   73 - HB    VAL   41   8.49 +/- 1.47   0.321% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB    VAL   41  10.25 +/- 0.88   0.015% *  0.3404% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QB    LYS+ 102   9.32 +/- 1.16   0.041% *  0.0236% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB    VAL   41   8.42 +/- 0.79   0.041% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+ 102  12.99 +/- 2.15   0.004% *  0.0498% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HB    VAL   41  18.76 +/- 2.91   0.000% *  0.3925% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 102  21.42 +/- 2.38   0.000% *  0.6500% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+ 102  21.28 +/- 0.79   0.000% *  0.8951% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HB    VAL   41  18.87 +/- 0.94   0.000% *  0.4022% (0.43   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB    VAL   41  17.52 +/- 1.08   0.001% *  0.2407% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QB    LYS+ 102  20.63 +/- 1.05   0.000% *  0.5357% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+ 102  17.02 +/- 2.63   0.001% *  0.0873% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB    VAL   41  11.66 +/- 1.15   0.006% *  0.0106% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB    VAL   41  14.69 +/- 2.16   0.002% *  0.0275% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 102  15.87 +/- 1.25   0.001% *  0.0389% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB    VAL   41  14.85 +/- 2.29   0.002% *  0.0224% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB    VAL   41  22.99 +/- 2.25   0.000% *  0.2920% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+ 102  19.04 +/- 3.21   0.000% *  0.0612% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 102  20.29 +/- 0.98   0.000% *  0.0536% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    VAL   41  19.00 +/- 0.86   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1225 (3.02, 1.81, 34.65 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 159.2:
    *   T QE    LYS+ 102 - QB    LYS+ 102   2.77 +/- 0.41  98.946% * 97.2926% (1.00 10.00   4.75 159.26) =  99.994%  kept
        T QE    LYS+  99 - QB    LYS+ 102   7.53 +/- 1.27   0.569% *  0.6683% (0.69 10.00   0.02   1.82) =   0.004%
        T QE    LYS+  99 - HB    VAL   41   7.77 +/- 0.48   0.276% *  0.3003% (0.31 10.00   0.02   0.02) =   0.001%
        T QE    LYS+  38 - QB    LYS+ 102   9.61 +/- 1.16   0.085% *  0.8981% (0.92 10.00   0.02   0.02) =   0.001%
        T QE    LYS+ 102 - HB    VAL   41  10.22 +/- 1.45   0.096% *  0.4372% (0.45 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HB    VAL   41  11.46 +/- 0.68   0.028% *  0.4036% (0.41 10.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1226 (4.60, 1.45, 25.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 159.3:
    * O T HA    LYS+ 102 - HG2   LYS+ 102   3.42 +/- 0.29  99.994% * 99.7392% (1.00  10.0 10.00   5.75 159.26) = 100.000%  kept
          HA    CYS   21 - HG2   LYS+ 102  22.87 +/- 1.95   0.001% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG2   LYS+ 102  22.44 +/- 2.04   0.002% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG2   LYS+ 102  28.33 +/- 3.63   0.001% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG2   LYS+ 102  31.24 +/- 4.55   0.001% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG2   LYS+ 102  23.51 +/- 1.40   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1227 (1.81, 1.45, 25.01 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 159.3:
    * O T QB    LYS+ 102 - HG2   LYS+ 102   2.28 +/- 0.12  99.653% * 98.4503% (1.00  10.0 10.00   5.31 159.26) = 100.000%  kept
          HG12  ILE  103 - HG2   LYS+ 102   7.12 +/- 1.10   0.328% *  0.0336% (0.34   1.0  1.00   0.02  22.44) =   0.000%
        T HB    VAL   41 - HG2   LYS+ 102  10.37 +/- 1.35   0.017% *  0.4792% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HG2   LYS+ 102  18.49 +/- 2.02   0.001% *  0.6763% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG2   LYS+ 102  14.83 +/- 1.20   0.002% *  0.0950% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG2   LYS+ 102  22.09 +/- 1.63   0.000% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+ 102  23.73 +/- 2.02   0.000% *  0.0909% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 102  20.78 +/- 2.97   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 102  26.09 +/- 1.54   0.000% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG2   LYS+ 102  27.19 +/- 4.11   0.000% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1228 (1.45, 1.45, 25.01 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 102 - HG2   LYS+ 102  (1.00)  kept
 
    Peak 1229 (1.38, 1.45, 25.01 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 159.3:
    * O T HG3   LYS+ 102 - HG2   LYS+ 102   1.75 +/- 0.00  99.920% * 96.7067% (1.00  10.0 10.00   4.41 159.26) = 100.000%  kept
        T HG3   LYS+ 106 - HG2   LYS+ 102  10.95 +/- 1.95   0.005% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 102   6.43 +/- 0.81   0.059% *  0.0330% (0.34   1.0  1.00   0.02   2.67) =   0.000%
          HG    LEU   98 - HG2   LYS+ 102   8.32 +/- 1.21   0.015% *  0.0269% (0.28   1.0  1.00   0.02   2.67) =   0.000%
        T HG3   LYS+  33 - HG2   LYS+ 102  17.35 +/- 1.45   0.000% *  0.9148% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HG2   LYS+ 102  14.64 +/- 1.22   0.000% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HG2   LYS+ 102  25.75 +/- 1.72   0.000% *  0.9479% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 102  17.78 +/- 1.19   0.000% *  0.0965% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 102  17.44 +/- 3.36   0.000% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 102  20.90 +/- 3.00   0.000% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+ 102  22.35 +/- 1.87   0.000% *  0.0398% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 102  25.15 +/- 3.45   0.000% *  0.0587% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG2   LYS+ 102  26.41 +/- 2.33   0.000% *  0.0959% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG2   LYS+ 102  23.10 +/- 1.59   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1230 (1.68, 1.45, 25.01 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 159.3:
    * O T QD    LYS+ 102 - HG2   LYS+ 102   2.19 +/- 0.01  99.793% * 98.2489% (1.00  10.0 10.00   4.41 159.26) = 100.000%  kept
          QD    LYS+  99 - HG2   LYS+ 102   7.71 +/- 1.53   0.133% *  0.0219% (0.22   1.0  1.00   0.02   1.82) =   0.000%
          QD    LYS+  38 - HG2   LYS+ 102   9.73 +/- 1.90   0.032% *  0.0787% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   LYS+ 102  11.13 +/- 2.34   0.040% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 102  15.35 +/- 2.96   0.002% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+ 102  24.72 +/- 3.19   0.000% *  0.6749% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 102  23.71 +/- 1.63   0.000% *  0.5562% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 102  19.85 +/- 3.11   0.000% *  0.0907% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 102  18.30 +/- 1.69   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 102  21.76 +/- 3.70   0.000% *  0.0636% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 102  24.56 +/- 2.06   0.000% *  0.0929% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 102  23.41 +/- 2.14   0.000% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1231 (3.02, 1.45, 25.01 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 159.3:
    * O T QE    LYS+ 102 - HG2   LYS+ 102   3.20 +/- 0.11  99.528% * 98.4155% (1.00  10.0 10.00   4.41 159.26) =  99.996%  kept
        T QE    LYS+  99 - HG2   LYS+ 102   9.12 +/- 1.32   0.316% *  0.6760% (0.69   1.0 10.00   0.02   1.82) =   0.002%
        T QE    LYS+  38 - HG2   LYS+ 102  10.66 +/- 1.79   0.156% *  0.9085% (0.92   1.0 10.00   0.02   0.02) =   0.001%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1232 (4.60, 1.38, 25.01 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.3:
    * O T HA    LYS+ 102 - HG3   LYS+ 102   2.91 +/- 0.71  99.521% * 97.9004% (1.00  10.0 10.00   5.05 159.26) = 100.000%  kept
        T HA    LYS+ 102 - HG3   LYS+ 106   9.67 +/- 0.90   0.200% *  0.1784% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  33  10.95 +/- 2.05   0.124% *  0.0406% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  33  16.21 +/- 1.30   0.009% *  0.4863% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  65  24.85 +/- 0.89   0.001% *  0.7967% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 106  19.02 +/- 3.58   0.044% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 106  11.91 +/- 0.49   0.041% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  65  18.09 +/- 2.07   0.004% *  0.0665% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  33  13.48 +/- 0.95   0.026% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  65  14.90 +/- 2.34   0.014% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  65  20.16 +/- 2.02   0.002% *  0.0357% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  65  22.53 +/- 2.22   0.002% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 102  22.23 +/- 1.69   0.001% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 102  22.75 +/- 2.54   0.001% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  65  21.96 +/- 1.60   0.001% *  0.0388% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 106  22.46 +/- 3.70   0.003% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 106  20.89 +/- 1.70   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  33  29.47 +/- 2.71   0.000% *  0.0315% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 102  31.05 +/- 4.20   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 102  23.45 +/- 1.47   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 102  28.16 +/- 3.41   0.000% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  33  27.75 +/- 2.10   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 106  19.82 +/- 1.01   0.002% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  33  28.98 +/- 1.22   0.000% *  0.0237% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1233 (1.81, 1.38, 25.01 ppm):
    40 chemical-shift based assignments, quality = 0.896, support = 5.17, residual support = 161.8:
      O   QB    LYS+  65 - HG3   LYS+  65   2.31 +/- 0.15  56.469% * 43.4551% (0.80  10.0  1.00   5.57 164.17) =  51.406%  kept
    * O T QB    LYS+ 102 - HG3   LYS+ 102   2.43 +/- 0.17  42.580% * 54.4770% (1.00  10.0 10.00   4.75 159.26) =  48.594%  kept
          HB3   GLN   17 - HG3   LYS+  65   7.86 +/- 2.55   0.301% *  0.0216% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  65   6.50 +/- 0.53   0.164% *  0.0305% (0.56   1.0  1.00   0.02  25.34) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 102   6.73 +/- 0.94   0.166% *  0.0186% (0.34   1.0  1.00   0.02  22.44) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 102  10.37 +/- 1.74   0.011% *  0.2652% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+  33   9.96 +/- 1.32   0.017% *  0.1317% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+ 106   9.10 +/- 0.88   0.017% *  0.0993% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+  33   8.02 +/- 1.71   0.058% *  0.0261% (0.48   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 106   6.39 +/- 1.03   0.185% *  0.0034% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 106  10.98 +/- 1.17   0.006% *  0.0483% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  33  15.34 +/- 1.26   0.001% *  0.2706% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 102  15.03 +/- 1.37   0.001% *  0.0526% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+  65  18.69 +/- 0.93   0.000% *  0.2158% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+  65  14.95 +/- 1.00   0.001% *  0.0428% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  65  22.33 +/- 0.86   0.000% *  0.4433% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  14.18 +/- 2.54   0.003% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  17.14 +/- 3.48   0.012% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  65  17.42 +/- 1.68   0.000% *  0.0409% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 106  13.83 +/- 1.24   0.002% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 106  14.51 +/- 1.23   0.001% *  0.0096% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 102  18.89 +/- 1.54   0.000% *  0.0374% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 106  14.65 +/- 1.30   0.001% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  33  16.55 +/- 1.29   0.000% *  0.0132% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  33  17.65 +/- 1.58   0.000% *  0.0186% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+  33  18.75 +/- 1.39   0.000% *  0.0265% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  33  16.22 +/- 1.05   0.001% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 102  22.41 +/- 1.10   0.000% *  0.0534% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 106  17.42 +/- 0.65   0.000% *  0.0097% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 102  23.58 +/- 1.65   0.000% *  0.0503% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  65  22.40 +/- 1.44   0.000% *  0.0151% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  19.81 +/- 1.53   0.000% *  0.0068% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  21.30 +/- 2.66   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  15.98 +/- 1.29   0.001% *  0.0015% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  33  25.46 +/- 1.52   0.000% *  0.0250% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  27.08 +/- 3.80   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 102  26.34 +/- 1.16   0.000% *  0.0265% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 106  22.51 +/- 0.63   0.000% *  0.0048% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  25.48 +/- 2.98   0.000% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  29.41 +/- 1.96   0.000% *  0.0042% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1234 (1.45, 1.38, 25.01 ppm):
    52 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 159.3:
    * O T HG2   LYS+ 102 - HG3   LYS+ 102   1.75 +/- 0.00  97.895% * 96.9231% (1.00  10.0 10.00   4.41 159.26) =  99.999%  kept
          QB    ALA   61 - HG3   LYS+  65   4.12 +/- 1.20   1.943% *  0.0415% (0.43   1.0  1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HG3   LYS+  65   6.10 +/- 1.18   0.123% *  0.0684% (0.71   1.0  1.00   0.02  25.34) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+ 106  10.95 +/- 1.95   0.005% *  0.1766% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  65   9.04 +/- 0.68   0.006% *  0.0542% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  65   9.78 +/- 1.15   0.004% *  0.0542% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  33   9.49 +/- 0.69   0.004% *  0.0472% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 102  11.22 +/- 1.00   0.002% *  0.0776% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  33  17.35 +/- 1.45   0.000% *  0.4815% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  33  12.38 +/- 1.51   0.001% *  0.0386% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 106  10.70 +/- 0.93   0.002% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  33  10.77 +/- 1.42   0.002% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  65  14.48 +/- 1.22   0.000% *  0.0632% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 106  11.25 +/- 0.76   0.002% *  0.0141% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  65  12.88 +/- 2.11   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  65  15.42 +/- 1.09   0.000% *  0.0773% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 102  16.56 +/- 1.55   0.000% *  0.0950% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  33  15.44 +/- 2.52   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  65  15.69 +/- 1.10   0.000% *  0.0632% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  65  13.37 +/- 1.49   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  65  13.28 +/- 1.13   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  33  15.00 +/- 1.58   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  65  25.75 +/- 1.72   0.000% *  0.7888% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 102  18.79 +/- 2.85   0.000% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 106  14.36 +/- 1.34   0.000% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 106  11.58 +/- 1.18   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 102  19.31 +/- 2.99   0.000% *  0.0666% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 106  12.20 +/- 0.76   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 102  19.90 +/- 1.86   0.000% *  0.0841% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 106  12.43 +/- 1.25   0.001% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  65  16.82 +/- 2.34   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 106  15.28 +/- 1.27   0.000% *  0.0153% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 106  16.00 +/- 3.03   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 102  16.97 +/- 2.18   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+  33  18.97 +/- 1.38   0.000% *  0.0418% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 102  21.08 +/- 1.44   0.000% *  0.0776% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 106  15.50 +/- 1.31   0.000% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 106  16.54 +/- 2.79   0.000% *  0.0121% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  33  17.40 +/- 2.84   0.000% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+  33  18.39 +/- 1.54   0.000% *  0.0253% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 102  21.50 +/- 1.39   0.000% *  0.0510% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 102  23.30 +/- 4.74   0.000% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 102  20.70 +/- 1.45   0.000% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 102  21.84 +/- 1.53   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  65  22.94 +/- 1.88   0.000% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 102  22.68 +/- 1.94   0.000% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 106  19.86 +/- 3.90   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  33  25.12 +/- 1.39   0.000% *  0.0386% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  33  22.22 +/- 1.89   0.000% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  33  24.47 +/- 1.57   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 106  20.62 +/- 1.65   0.000% *  0.0044% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  33  25.34 +/- 1.18   0.000% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1235 (1.38, 1.38, 25.01 ppm):
    4 diagonal assignments:
    *     HG3   LYS+ 102 - HG3   LYS+ 102  (1.00)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.80)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.47)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.17)  kept
 
    Peak 1236 (1.68, 1.38, 25.01 ppm):
    48 chemical-shift based assignments, quality = 0.786, support = 4.12, residual support = 160.0:
    * O T QD    LYS+ 102 - HG3   LYS+ 102   2.52 +/- 0.06  29.058% * 63.6907% (1.00  10.0 10.00   4.00 159.26) =  63.175%  kept
      O T QD    LYS+  65 - HG3   LYS+  65   2.48 +/- 0.11  33.039% * 29.3443% (0.46  10.0 10.00   4.28 164.17) =  33.095%  kept
      O   QD    LYS+ 106 - HG3   LYS+ 106   2.43 +/- 0.17  37.763% *  2.8935% (0.05  10.0  1.00   4.63 135.79) =   3.730%  kept
        T QD    LYS+ 102 - HG3   LYS+ 106   9.67 +/- 1.47   0.018% *  0.1160% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 102  10.25 +/- 1.96   0.016% *  0.0510% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  33  10.76 +/- 1.15   0.006% *  0.1301% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 102   8.36 +/- 1.45   0.042% *  0.0142% (0.22   1.0  1.00   0.02   1.82) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 102  10.90 +/- 2.09   0.014% *  0.0159% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 106  14.39 +/- 2.51   0.003% *  0.0797% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  33  10.71 +/- 1.24   0.007% *  0.0253% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  33  16.57 +/- 1.62   0.000% *  0.3164% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  65  15.74 +/- 1.39   0.001% *  0.2131% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 106   9.23 +/- 1.58   0.018% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 102  18.20 +/- 1.55   0.000% *  0.2618% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  65  14.61 +/- 2.29   0.001% *  0.0478% (0.75   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  33  19.29 +/- 1.90   0.000% *  0.1791% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 106  15.35 +/- 1.28   0.001% *  0.0477% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  65  21.53 +/- 1.79   0.000% *  0.3560% (0.56   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 102  15.71 +/- 2.67   0.001% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 102  24.61 +/- 3.04   0.000% *  0.4375% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  65  23.90 +/- 1.29   0.000% *  0.5183% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  65  17.33 +/- 1.83   0.000% *  0.0490% (0.77   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 102  24.03 +/- 1.27   0.000% *  0.3606% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  65  16.10 +/- 1.75   0.001% *  0.0273% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  33  13.31 +/- 1.51   0.002% *  0.0070% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 106  11.08 +/- 0.59   0.004% *  0.0026% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 106  13.41 +/- 1.17   0.002% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 106  19.21 +/- 1.01   0.000% *  0.0657% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 106  14.81 +/- 0.87   0.001% *  0.0110% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 102  20.34 +/- 2.87   0.000% *  0.0588% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 106  15.24 +/- 1.58   0.001% *  0.0107% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 102  21.31 +/- 3.62   0.000% *  0.0412% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  33  18.07 +/- 1.82   0.000% *  0.0205% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 106  16.55 +/- 1.25   0.000% *  0.0093% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  65  21.57 +/- 1.75   0.000% *  0.0415% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  65  17.59 +/- 1.49   0.000% *  0.0115% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 106  17.49 +/- 2.83   0.000% *  0.0075% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  65  20.70 +/- 1.49   0.000% *  0.0293% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 102  24.41 +/- 1.63   0.000% *  0.0602% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  33  31.29 +/- 2.22   0.000% *  0.2173% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 102  23.14 +/- 1.75   0.000% *  0.0361% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  65  19.39 +/- 0.67   0.000% *  0.0129% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  65  23.36 +/- 1.65   0.000% *  0.0335% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  33  24.99 +/- 3.26   0.000% *  0.0292% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  33  22.81 +/- 2.31   0.000% *  0.0166% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  33  20.04 +/- 1.07   0.000% *  0.0079% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  33  25.58 +/- 1.53   0.000% *  0.0299% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  33  26.55 +/- 0.95   0.000% *  0.0179% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1237 (3.02, 1.38, 25.01 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 159.3:
    * O T QE    LYS+ 102 - HG3   LYS+ 102   2.16 +/- 0.10  99.928% * 94.7812% (1.00  10.0 10.00   4.00 159.26) = 100.000%  kept
        T QE    LYS+  38 - HG3   LYS+ 102  11.14 +/- 1.86   0.016% *  0.8749% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+ 102   9.70 +/- 1.24   0.018% *  0.6511% (0.69   1.0 10.00   0.02   1.82) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  33  11.02 +/- 1.32   0.008% *  0.4346% (0.46   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+ 106   9.71 +/- 1.07   0.019% *  0.1727% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  33  12.27 +/- 1.37   0.004% *  0.3234% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+ 106  11.42 +/- 0.90   0.005% *  0.1186% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  65  15.93 +/- 1.35   0.001% *  0.5298% (0.56   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  33  16.67 +/- 1.75   0.001% *  0.4708% (0.50   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  65  22.75 +/- 2.39   0.000% *  0.7120% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+ 106  17.85 +/- 1.27   0.000% *  0.1594% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  65  24.35 +/- 0.65   0.000% *  0.7713% (0.81   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (4.60, 1.68, 29.29 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.3:
    *   T HA    LYS+ 102 - QD    LYS+ 102   3.07 +/- 0.70  93.141% * 99.0980% (1.00 10.00   5.05 159.26) =  99.999%  kept
          HA1   GLY  109 - HD2   LYS+ 111   6.38 +/- 1.85   6.781% *  0.0126% (0.13  1.00   0.02   0.02) =   0.001%
        T HA    LYS+ 102 - QD    LYS+  65  23.02 +/- 1.10   0.001% *  0.2505% (0.25 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HD2   LYS+ 111  23.67 +/- 2.83   0.001% *  0.2591% (0.26 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+  65  16.78 +/- 2.31   0.008% *  0.0209% (0.21  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+  65  13.98 +/- 2.48   0.032% *  0.0050% (0.05  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+ 102  21.12 +/- 2.16   0.002% *  0.0828% (0.84  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+ 102  27.90 +/- 4.40   0.002% *  0.0641% (0.65  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+ 102  25.31 +/- 3.45   0.003% *  0.0444% (0.45  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+ 102  19.70 +/- 1.69   0.003% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HD2   LYS+ 111  15.50 +/- 2.64   0.010% *  0.0116% (0.12  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+  65  18.93 +/- 1.91   0.005% *  0.0112% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   LYS+ 111  19.06 +/- 2.25   0.003% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+  65  20.97 +/- 1.50   0.002% *  0.0162% (0.16  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+  65  20.59 +/- 1.21   0.002% *  0.0122% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+ 102  21.68 +/- 1.64   0.001% *  0.0196% (0.20  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HD2   LYS+ 111  27.65 +/- 2.69   0.001% *  0.0216% (0.22  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   LYS+ 111  24.90 +/- 2.77   0.002% *  0.0051% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 0.833, support = 4.81, residual support = 160.3:
    * O T QB    LYS+ 102 - QD    LYS+ 102   2.20 +/- 0.30  44.782% * 77.3438% (1.00  10.0 10.00   4.75 159.26) =  77.764%  kept
      O T QB    LYS+  65 - QD    LYS+  65   2.12 +/- 0.15  51.663% * 19.1619% (0.25  10.0 10.00   5.05 164.17) =  22.226%  kept
        T HG2   PRO   93 - HD2   LYS+ 111   9.84 +/- 3.06   2.143% *  0.1867% (0.24   1.0 10.00   0.02   0.02) =   0.009%
          HG12  ILE  103 - QD    LYS+ 102   6.29 +/- 1.19   0.520% *  0.0264% (0.34   1.0  1.00   0.02  22.44) =   0.000%
          HB3   GLN   17 - QD    LYS+  65   7.06 +/- 2.81   0.641% *  0.0095% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102  10.13 +/- 1.18   0.007% *  0.3765% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  65   6.37 +/- 0.30   0.071% *  0.0134% (0.17   1.0  1.00   0.02  25.34) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 111  10.95 +/- 3.67   0.169% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  65  13.01 +/- 2.19   0.002% *  0.0302% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  20.58 +/- 1.28   0.000% *  0.7581% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  14.28 +/- 1.09   0.001% *  0.0746% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  21.21 +/- 1.76   0.000% *  0.7140% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  16.54 +/- 1.67   0.000% *  0.1805% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  18.67 +/- 1.47   0.000% *  0.1982% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  17.52 +/- 1.08   0.000% *  0.0952% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+ 102  19.19 +/- 2.48   0.000% *  0.1193% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  21.42 +/- 2.38   0.000% *  0.2022% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  14.08 +/- 1.28   0.001% *  0.0189% (0.24   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  20.63 +/- 1.05   0.000% *  0.1955% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  17.37 +/- 1.67   0.000% *  0.0531% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   LYS+ 111  18.13 +/- 1.29   0.000% *  0.0312% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  22.99 +/- 2.25   0.000% *  0.0984% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  17.84 +/- 1.40   0.000% *  0.0139% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  24.29 +/- 1.32   0.000% *  0.0376% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  20.14 +/- 2.89   0.000% *  0.0069% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+ 102  24.28 +/- 3.68   0.000% *  0.0119% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  24.36 +/- 2.15   0.000% *  0.0195% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  20.94 +/- 1.35   0.000% *  0.0067% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  65  18.62 +/- 1.32   0.000% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  26.04 +/- 2.29   0.000% *  0.0098% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1240 (1.45, 1.68, 29.29 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 4.41, residual support = 159.3:
    * O T HG2   LYS+ 102 - QD    LYS+ 102   2.19 +/- 0.01  90.025% * 98.4875% (1.00  10.0 10.00   4.41 159.26) =  99.999%  kept
          QB    ALA   61 - QD    LYS+  65   4.42 +/- 0.78   4.040% *  0.0131% (0.13   1.0  1.00   0.02   0.02) =   0.001%
          QB    ALA  110 - HD2   LYS+ 111   5.39 +/- 1.30   5.323% *  0.0079% (0.08   1.0  1.00   0.02   9.12) =   0.000%
          QG    LYS+  66 - QD    LYS+  65   5.87 +/- 0.89   0.365% *  0.0216% (0.22   1.0  1.00   0.02  25.34) =   0.000%
          HB3   LEU  115 - HD2   LYS+ 111   8.26 +/- 1.65   0.115% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+ 102  10.82 +/- 1.23   0.008% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+  65   8.64 +/- 1.02   0.033% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  65   9.27 +/- 1.28   0.032% *  0.0171% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+ 111   9.30 +/- 1.53   0.030% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+ 102  15.59 +/- 1.71   0.001% *  0.0965% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  65  11.95 +/- 2.32   0.007% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+ 102  17.44 +/- 2.87   0.001% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  65  13.85 +/- 1.58   0.002% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  65  14.58 +/- 1.44   0.001% *  0.0244% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+ 102  17.96 +/- 2.81   0.000% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD    LYS+ 102  18.23 +/- 1.90   0.000% *  0.0854% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+ 102  15.22 +/- 1.94   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  65  12.72 +/- 1.63   0.004% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  65  12.32 +/- 1.43   0.004% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HD2   LYS+ 111  24.72 +/- 3.19   0.000% *  0.2575% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  65  14.76 +/- 0.98   0.001% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+ 102  18.96 +/- 1.38   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+ 111  12.68 +/- 1.14   0.003% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 111  15.00 +/- 1.55   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QD    LYS+  65  23.71 +/- 1.63   0.000% *  0.2489% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD    LYS+ 102  19.66 +/- 1.37   0.000% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+ 102  18.43 +/- 1.77   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+ 102  21.33 +/- 4.84   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   LYS+ 111  17.50 +/- 1.38   0.000% *  0.0223% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  65  15.78 +/- 2.10   0.001% *  0.0077% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+ 102  19.70 +/- 1.42   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+ 102  21.09 +/- 1.82   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+ 111  21.71 +/- 1.97   0.000% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 111  22.99 +/- 2.25   0.000% *  0.0252% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+ 111  22.49 +/- 2.51   0.000% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 111  22.95 +/- 1.84   0.000% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  65  21.25 +/- 1.96   0.000% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 111  25.40 +/- 3.29   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 111  27.11 +/- 2.45   0.000% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1241 (1.38, 1.68, 29.29 ppm):
    42 chemical-shift based assignments, quality = 0.837, support = 4.06, residual support = 160.3:
    * O T HG3   LYS+ 102 - QD    LYS+ 102   2.52 +/- 0.06  46.706% * 76.0877% (1.00  10.0 10.00   4.00 159.26) =  78.270%  kept
      O T HG3   LYS+  65 - QD    LYS+  65   2.48 +/- 0.11  52.337% * 18.8507% (0.25  10.0 10.00   4.28 164.17) =  21.729%  kept
        T HG3   LYS+ 106 - QD    LYS+ 102   9.67 +/- 1.47   0.032% *  0.7198% (0.95   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PRO   93 - HD2   LYS+ 111  11.16 +/- 2.50   0.173% *  0.0818% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+ 102   6.32 +/- 1.07   0.372% *  0.0260% (0.34   1.0  1.00   0.02   2.67) =   0.000%
          HB2   LYS+ 112 - HD2   LYS+ 111   6.67 +/- 1.22   0.237% *  0.0197% (0.26   1.0  1.00   0.02  28.11) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   7.98 +/- 1.31   0.109% *  0.0212% (0.28   1.0  1.00   0.02   2.67) =   0.000%
        T HG3   LYS+ 106 - HD2   LYS+ 111  14.39 +/- 2.51   0.004% *  0.1882% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD    LYS+ 102  16.49 +/- 1.36   0.001% *  0.7592% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QD    LYS+ 102  16.57 +/- 1.62   0.001% *  0.7198% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+ 102  13.97 +/- 1.09   0.002% *  0.0746% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  65  12.46 +/- 1.06   0.004% *  0.0189% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QD    LYS+  65  19.29 +/- 1.90   0.000% *  0.1819% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+ 102  23.90 +/- 1.29   0.000% *  0.7458% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  65  16.37 +/- 2.69   0.003% *  0.0191% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  65  19.21 +/- 1.01   0.000% *  0.1819% (0.24   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  65  13.74 +/- 1.63   0.003% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  65  14.90 +/- 1.62   0.001% *  0.0192% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD2   LYS+ 111  21.53 +/- 1.79   0.000% *  0.1950% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HD2   LYS+ 111  22.23 +/- 2.19   0.000% *  0.1985% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  12.30 +/- 1.95   0.006% *  0.0038% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD2   LYS+ 111  24.61 +/- 3.04   0.000% *  0.1989% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  18.49 +/- 3.27   0.001% *  0.0286% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  16.34 +/- 2.92   0.001% *  0.0151% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  65  24.03 +/- 1.27   0.000% *  0.1923% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  65  13.33 +/- 2.10   0.004% *  0.0030% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  15.31 +/- 1.66   0.001% *  0.0079% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.07 +/- 1.71   0.000% *  0.0313% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+ 102  23.68 +/- 1.76   0.000% *  0.0754% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+ 102  23.42 +/- 2.92   0.000% *  0.0461% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HD2   LYS+ 111  20.45 +/- 1.74   0.000% *  0.0195% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  65  17.12 +/- 0.94   0.001% *  0.0066% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  18.67 +/- 2.37   0.000% *  0.0075% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD2   LYS+ 111  31.29 +/- 2.22   0.000% *  0.1882% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 111  19.61 +/- 2.30   0.000% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+ 102  21.20 +/- 1.67   0.000% *  0.0117% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.84 +/- 1.37   0.000% *  0.0053% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  20.06 +/- 1.65   0.000% *  0.0072% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   LYS+ 111  22.01 +/- 3.00   0.000% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  21.27 +/- 2.75   0.000% *  0.0055% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  20.19 +/- 1.23   0.000% *  0.0039% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 111  30.57 +/- 2.66   0.000% *  0.0121% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1242 (1.68, 1.68, 29.29 ppm):
    3 diagonal assignments:
    *     QD    LYS+ 102 - QD    LYS+ 102  (1.00)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.18)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.14)  kept
 
    Peak 1243 (3.02, 1.68, 29.29 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 159.3:
    * O T QE    LYS+ 102 - QD    LYS+ 102   2.11 +/- 0.02  99.968% * 97.1326% (1.00  10.0 10.00   4.00 159.26) = 100.000%  kept
        T QE    LYS+  99 - QD    LYS+ 102   9.30 +/- 1.23   0.019% *  0.6672% (0.69   1.0 10.00   0.02   1.82) =   0.000%
        T QE    LYS+  38 - QD    LYS+ 102  10.62 +/- 1.55   0.011% *  0.8966% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - QD    LYS+  65  14.74 +/- 1.30   0.001% *  0.1686% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+  65  20.74 +/- 2.09   0.000% *  0.2266% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HD2   LYS+ 111  21.82 +/- 2.78   0.000% *  0.2539% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HD2   LYS+ 111  21.61 +/- 2.15   0.000% *  0.1744% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  65  22.48 +/- 0.94   0.000% *  0.2455% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HD2   LYS+ 111  29.26 +/- 2.40   0.000% *  0.2344% (0.24   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1244 (4.60, 3.02, 42.50 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.3:
    *   T HA    LYS+ 102 - QE    LYS+ 102   3.13 +/- 0.38  99.733% * 98.6090% (1.00 10.00   5.05 159.26) =  99.999%  kept
        T HA    LYS+ 102 - QE    LYS+  99   9.22 +/- 0.64   0.187% *  0.6725% (0.68 10.00   0.02   1.82) =   0.001%
        T HA    LYS+ 102 - QE    LYS+  38  11.36 +/- 0.83   0.058% *  0.2257% (0.23 10.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  99  17.46 +/- 1.31   0.004% *  0.0562% (0.57  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+ 102  20.96 +/- 2.57   0.002% *  0.0824% (0.84  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+ 102  19.57 +/- 1.49   0.003% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  99  17.36 +/- 0.58   0.004% *  0.0133% (0.13  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+ 102  27.71 +/- 3.76   0.001% *  0.0638% (0.65  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+ 102  25.16 +/- 2.94   0.001% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  99  20.49 +/- 0.72   0.001% *  0.0327% (0.33  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  38  19.67 +/- 1.80   0.002% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  99  23.95 +/- 2.31   0.001% *  0.0301% (0.31  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+ 102  21.61 +/- 1.53   0.001% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  99  26.73 +/- 2.71   0.001% *  0.0435% (0.44  1.00   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  38  21.04 +/- 0.90   0.001% *  0.0045% (0.05  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  38  27.69 +/- 1.25   0.000% *  0.0110% (0.11  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  38  32.69 +/- 2.74   0.000% *  0.0146% (0.15  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  38  30.38 +/- 2.37   0.000% *  0.0101% (0.10  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1245 (1.81, 3.02, 42.50 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 159.2:
    *   T QB    LYS+ 102 - QE    LYS+ 102   2.77 +/- 0.41  97.096% * 97.3354% (1.00 10.00   4.75 159.26) =  99.994%  kept
        T QB    LYS+ 102 - QE    LYS+  99   7.53 +/- 1.27   0.554% *  0.6638% (0.68 10.00   0.02   1.82) =   0.004%
        T HB    VAL   41 - QE    LYS+  99   7.77 +/- 0.48   0.269% *  0.3231% (0.33 10.00   0.02   0.02) =   0.001%
          HG12  ILE  103 - QE    LYS+ 102   6.12 +/- 0.60   1.377% *  0.0332% (0.34  1.00   0.02  22.44) =   0.000%
        T HB    VAL   41 - QE    LYS+ 102  10.22 +/- 1.45   0.094% *  0.4738% (0.49 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QE    LYS+  38   9.61 +/- 1.16   0.083% *  0.2228% (0.23 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  99   8.23 +/- 0.87   0.251% *  0.0641% (0.66  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  99   9.96 +/- 1.36   0.079% *  0.0456% (0.47  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QE    LYS+  38  11.46 +/- 0.68   0.027% *  0.1085% (0.11 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  99   9.97 +/- 1.01   0.067% *  0.0226% (0.23  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+ 102  14.54 +/- 1.18   0.008% *  0.0939% (0.97  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  99  13.31 +/- 1.12   0.011% *  0.0651% (0.67  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  38  12.25 +/- 1.17   0.025% *  0.0215% (0.22  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  99  12.87 +/- 3.12   0.030% *  0.0102% (0.11  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+ 102  17.89 +/- 1.19   0.002% *  0.0669% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  99  16.65 +/- 1.39   0.003% *  0.0323% (0.33  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  38  16.80 +/- 2.02   0.005% *  0.0153% (0.16  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+ 102  21.01 +/- 0.71   0.001% *  0.0954% (0.98  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+ 102  21.11 +/- 1.31   0.001% *  0.0899% (0.92  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  38  14.07 +/- 1.13   0.008% *  0.0076% (0.08  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  99  19.89 +/- 0.92   0.001% *  0.0613% (0.63  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  38  19.67 +/- 1.91   0.002% *  0.0218% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  99  22.88 +/- 3.03   0.003% *  0.0102% (0.11  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+ 102  24.21 +/- 3.21   0.001% *  0.0150% (0.15  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+ 102  19.95 +/- 2.35   0.001% *  0.0150% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+ 102  24.59 +/- 0.88   0.000% *  0.0474% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  38  21.46 +/- 2.21   0.001% *  0.0108% (0.11  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  38  21.12 +/- 3.74   0.001% *  0.0034% (0.04  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  38  26.89 +/- 1.46   0.000% *  0.0206% (0.21  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  38  30.16 +/- 2.83   0.000% *  0.0034% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1246 (1.45, 3.02, 42.50 ppm):
    39 chemical-shift based assignments, quality = 0.995, support = 4.37, residual support = 157.6:
    * O T HG2   LYS+ 102 - QE    LYS+ 102   3.20 +/- 0.11  68.838% * 95.3896% (1.00  10.0 10.00   4.41 159.26) =  98.858%  kept
          HG    LEU   40 - QE    LYS+  99   4.02 +/- 0.88  29.519% *  2.5638% (0.55   1.0  1.00   0.98  11.63) =   1.139%  kept
        T HG2   LYS+ 102 - QE    LYS+  99   9.12 +/- 1.32   0.181% *  0.6505% (0.68   1.0 10.00   0.02   1.82) =   0.002%
          HG    LEU   67 - QE    LYS+  99   8.82 +/- 2.55   0.553% *  0.0447% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  99   9.17 +/- 2.53   0.487% *  0.0447% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QE    LYS+  38  10.66 +/- 1.79   0.079% *  0.2184% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  99  10.97 +/- 1.46   0.057% *  0.0564% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+ 102  11.32 +/- 0.87   0.039% *  0.0764% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  99  11.70 +/- 0.96   0.029% *  0.0638% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  38  10.98 +/- 1.17   0.053% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  99  11.34 +/- 2.14   0.050% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+ 102  15.59 +/- 1.54   0.006% *  0.0935% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  99  14.30 +/- 1.19   0.010% *  0.0342% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  38  15.48 +/- 2.72   0.020% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  38  15.61 +/- 2.84   0.016% *  0.0150% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  99  16.21 +/- 1.39   0.004% *  0.0521% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+ 102  18.03 +/- 2.46   0.003% *  0.0655% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  99  14.64 +/- 1.71   0.011% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+ 102  18.51 +/- 2.47   0.002% *  0.0655% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+ 102  18.76 +/- 1.37   0.002% *  0.0827% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+ 102  15.73 +/- 1.93   0.006% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  38  15.52 +/- 1.11   0.006% *  0.0214% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+ 102  19.15 +/- 1.05   0.001% *  0.0764% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+ 102  20.87 +/- 4.63   0.002% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  99  16.12 +/- 1.67   0.005% *  0.0162% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+ 102  19.90 +/- 1.17   0.001% *  0.0502% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+ 102  18.35 +/- 1.24   0.002% *  0.0294% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  38  17.90 +/- 1.98   0.003% *  0.0189% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  99  18.06 +/- 1.02   0.002% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+ 102  19.94 +/- 1.19   0.001% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  99  21.06 +/- 2.80   0.001% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+ 102  21.25 +/- 1.71   0.001% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  38  17.92 +/- 2.01   0.003% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  38  20.29 +/- 1.65   0.001% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  38  18.32 +/- 2.62   0.003% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  38  24.27 +/- 1.87   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  38  23.87 +/- 2.89   0.000% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  38  24.17 +/- 1.38   0.000% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  38  24.36 +/- 1.78   0.000% *  0.0054% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1247 (1.38, 3.02, 42.50 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 159.3:
    * O T HG3   LYS+ 102 - QE    LYS+ 102   2.16 +/- 0.10  99.333% * 93.0940% (1.00  10.0 10.00   4.00 159.26) =  99.999%  kept
        T HG3   LYS+ 106 - QE    LYS+ 102   9.71 +/- 1.07   0.019% *  0.8806% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  99   9.70 +/- 1.24   0.018% *  0.6349% (0.68   1.0 10.00   0.02   1.82) =   0.000%
          QB    LEU   98 - QE    LYS+ 102   6.39 +/- 0.89   0.214% *  0.0318% (0.34   1.0  1.00   0.02   2.67) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  38  11.14 +/- 1.86   0.016% *  0.2131% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  99  11.42 +/- 0.90   0.005% *  0.6006% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  99  12.27 +/- 1.37   0.004% *  0.6006% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  99   6.80 +/- 0.34   0.110% *  0.0217% (0.23   1.0  1.00   0.02  17.66) =   0.000%
          HB    VAL   42 - QE    LYS+  99   8.44 +/- 0.74   0.036% *  0.0622% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 102   8.10 +/- 1.08   0.066% *  0.0259% (0.28   1.0  1.00   0.02   2.67) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  38  11.02 +/- 1.32   0.008% *  0.2016% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  99   9.70 +/- 3.65   0.097% *  0.0126% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  99   8.15 +/- 0.86   0.045% *  0.0177% (0.19   1.0  1.00   0.02  17.66) =   0.000%
        T HG3   LYS+  33 - QE    LYS+ 102  16.67 +/- 1.75   0.001% *  0.8806% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  99  15.93 +/- 1.35   0.001% *  0.6223% (0.67   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  99  13.24 +/- 0.58   0.002% *  0.0633% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+ 102  14.24 +/- 0.69   0.001% *  0.0913% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  38  10.11 +/- 0.67   0.011% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  38  17.85 +/- 1.27   0.000% *  0.2016% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+ 102  16.40 +/- 1.41   0.001% *  0.0929% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+ 102  24.35 +/- 0.65   0.000% *  0.9125% (0.98   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  38  14.40 +/- 1.10   0.001% *  0.0209% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  38  12.28 +/- 1.51   0.005% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  99  17.04 +/- 2.60   0.001% *  0.0385% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  38  22.75 +/- 2.39   0.000% *  0.2089% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 102  17.98 +/- 2.96   0.001% *  0.0349% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 102  17.07 +/- 2.95   0.001% *  0.0184% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  38  17.24 +/- 0.96   0.000% *  0.0213% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  38  17.77 +/- 3.43   0.001% *  0.0129% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  38  15.58 +/- 4.39   0.002% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  99  21.15 +/- 1.24   0.000% *  0.0629% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  99  18.38 +/- 0.69   0.000% *  0.0261% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+ 102  19.98 +/- 1.07   0.000% *  0.0383% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+ 102  23.77 +/- 1.53   0.000% *  0.0923% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  99  19.81 +/- 1.04   0.000% *  0.0238% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+ 102  23.72 +/- 2.55   0.000% *  0.0565% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  99  17.31 +/- 0.84   0.000% *  0.0098% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+ 102  21.13 +/- 1.38   0.000% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  38  22.84 +/- 1.34   0.000% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  38  25.25 +/- 1.46   0.000% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  38  29.29 +/- 1.73   0.000% *  0.0211% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  38  21.92 +/- 1.17   0.000% *  0.0033% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1248 (1.68, 3.02, 42.50 ppm):
    36 chemical-shift based assignments, quality = 0.781, support = 3.96, residual support = 169.3:
    * O T QD    LYS+ 102 - QE    LYS+ 102   2.11 +/- 0.02  31.651% * 72.2175% (1.00  10.0 10.00   4.00 159.26) =  73.686%  kept
      O   QD    LYS+  38 - QE    LYS+  38   2.09 +/- 0.03  33.644% * 13.2369% (0.18  10.0  1.00   3.74 219.19) =  14.357%  kept
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.02  33.823% * 10.9650% (0.15  10.0 10.00   4.00 171.04) =  11.956%  kept
        T QD    LYS+  99 - QE    LYS+  38   7.40 +/- 1.61   0.773% *  0.0368% (0.05   1.0 10.00   0.02   0.02) =   0.001%
        T QD    LYS+ 102 - QE    LYS+  99   9.30 +/- 1.23   0.006% *  0.4925% (0.68   1.0 10.00   0.02   1.82) =   0.000%
          QD    LYS+  38 - QE    LYS+  99   6.39 +/- 0.98   0.066% *  0.0394% (0.55   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+ 102   9.50 +/- 1.63   0.010% *  0.1801% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QE    LYS+ 102   8.87 +/- 1.25   0.009% *  0.1608% (0.22   1.0 10.00   0.02   1.82) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  38  10.62 +/- 1.55   0.004% *  0.1653% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QE    LYS+ 102  10.46 +/- 1.68   0.005% *  0.0578% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  12.00 +/- 0.68   0.001% *  0.1228% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  99  10.40 +/- 2.37   0.004% *  0.0259% (0.36   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  99  14.74 +/- 1.30   0.000% *  0.2788% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  99  12.09 +/- 3.15   0.002% *  0.0455% (0.63   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+ 102  21.82 +/- 2.78   0.000% *  0.4961% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 102  14.76 +/- 2.34   0.000% *  0.0380% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  99  21.61 +/- 2.15   0.000% *  0.3383% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  13.55 +/- 1.08   0.001% *  0.0202% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 102  22.48 +/- 0.94   0.000% *  0.4089% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 102  18.92 +/- 3.70   0.000% *  0.0467% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 102  19.09 +/- 2.55   0.000% *  0.0667% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  38  20.74 +/- 2.09   0.000% *  0.0936% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.58 +/- 1.28   0.000% *  0.0412% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  16.92 +/- 1.54   0.000% *  0.0297% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 102  21.86 +/- 1.35   0.000% *  0.0683% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  99  20.51 +/- 0.72   0.000% *  0.0466% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 102  20.46 +/- 1.44   0.000% *  0.0409% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  99  20.23 +/- 1.75   0.000% *  0.0319% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  38  20.36 +/- 3.80   0.000% *  0.0153% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  99  21.00 +/- 0.69   0.000% *  0.0279% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  38  18.78 +/- 2.94   0.000% *  0.0087% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  17.30 +/- 0.93   0.000% *  0.0068% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  38  29.26 +/- 2.40   0.000% *  0.1136% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  38  23.28 +/- 1.93   0.000% *  0.0107% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  38  27.39 +/- 1.45   0.000% *  0.0156% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  38  27.60 +/- 1.08   0.000% *  0.0094% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.703, support = 5.78, residual support = 138.2:
    * O T HB    ILE  103 - HA    ILE  103   2.97 +/- 0.05  24.718% * 82.5223% (1.00  10.0 10.00   5.66 138.23) =  63.030%  kept
      O T HG12  ILE  103 - HA    ILE  103   2.45 +/- 0.34  73.257% * 16.3310% (0.20  10.0 10.00   5.98 138.23) =  36.969%  kept
          QB    LYS+ 106 - HA    ILE  103   6.56 +/- 0.67   0.249% *  0.0661% (0.80   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HA    THR   39   4.74 +/- 0.24   1.560% *  0.0068% (0.08   1.0  1.00   0.02  27.94) =   0.000%
          HB3   ASP- 105 - HA    ILE  103   7.39 +/- 0.43   0.108% *  0.0818% (0.99   1.0  1.00   0.02   2.31) =   0.000%
          QB    LYS+  33 - HA    THR   39   7.96 +/- 0.56   0.075% *  0.0258% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE  103 - HA    THR   39  14.92 +/- 0.72   0.002% *  0.2726% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    THR   39  11.01 +/- 1.25   0.014% *  0.0272% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE  103  14.86 +/- 0.65   0.002% *  0.0781% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE  103  17.30 +/- 2.68   0.001% *  0.0823% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE  103  12.81 +/- 0.87   0.004% *  0.0206% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    THR   39  14.39 +/- 0.98   0.002% *  0.0270% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ILE  103  21.73 +/- 3.46   0.002% *  0.0339% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    THR   39  15.41 +/- 0.88   0.001% *  0.0218% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ILE  103  17.77 +/- 2.05   0.001% *  0.0339% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ILE  103  18.46 +/- 1.62   0.000% *  0.0310% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE  103  21.65 +/- 2.05   0.000% *  0.0740% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE  103  21.52 +/- 2.63   0.000% *  0.0689% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    THR   39  13.50 +/- 1.13   0.003% *  0.0054% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ILE  103  24.27 +/- 3.03   0.000% *  0.0823% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    THR   39  18.64 +/- 3.47   0.001% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    THR   39  25.15 +/- 1.30   0.000% *  0.0228% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    THR   39  23.04 +/- 1.92   0.000% *  0.0102% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    THR   39  27.64 +/- 2.66   0.000% *  0.0272% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    THR   39  29.29 +/- 1.24   0.000% *  0.0245% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    THR   39  27.72 +/- 2.64   0.000% *  0.0112% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1252 (0.98, 4.28, 62.30 ppm):
    16 chemical-shift based assignments, quality = 0.953, support = 5.34, residual support = 138.2:
    * O T QG2   ILE  103 - HA    ILE  103   2.68 +/- 0.12  79.536% * 68.5552% (1.00  10.0 10.00   5.38 138.23) =  91.551%  kept
        T QD1   ILE  103 - HA    ILE  103   3.55 +/- 0.27  16.368% * 30.7355% (0.45   1.0 10.00   4.92 138.23) =   8.447%  kept
          QD2   LEU   40 - HA    ILE  103   5.56 +/- 0.80   1.319% *  0.0662% (0.97   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HA    THR   39   5.66 +/- 0.35   1.020% *  0.0219% (0.32   1.0  1.00   0.02  23.67) =   0.000%
          QD2   LEU   71 - HA    THR   39   5.72 +/- 1.05   1.605% *  0.0128% (0.19   1.0  1.00   0.02   0.22) =   0.000%
          QD1   LEU   67 - HA    THR   39   9.26 +/- 1.49   0.089% *  0.0222% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE  103 - HA    THR   39  12.49 +/- 0.67   0.008% *  0.2265% (0.33   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    ILE  103  12.14 +/- 3.04   0.026% *  0.0672% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE  103 - HA    THR   39  12.83 +/- 0.89   0.007% *  0.1015% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  12.41 +/- 0.84   0.009% *  0.0388% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    ILE  103  15.11 +/- 1.75   0.003% *  0.0282% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  13.98 +/- 1.31   0.005% *  0.0191% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  18.78 +/- 0.97   0.001% *  0.0672% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  15.45 +/- 1.93   0.003% *  0.0063% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  18.94 +/- 0.98   0.001% *  0.0222% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    THR   39  18.04 +/- 0.73   0.001% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (0.96, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.541, support = 5.18, residual support = 138.2:
      O T QG2   ILE  103 - HA    ILE  103   2.68 +/- 0.12  79.539% * 21.1374% (0.25  10.0 10.00   5.38 138.23) =  56.756%  kept
    *   T QD1   ILE  103 - HA    ILE  103   3.55 +/- 0.27  16.369% * 78.2519% (0.92   1.0 10.00   4.92 138.23) =  43.242%  kept
          QD2   LEU   71 - HA    THR   39   5.72 +/- 1.05   1.605% *  0.0234% (0.28   1.0  1.00   0.02   0.22) =   0.001%
          QD2   LEU   40 - HA    ILE  103   5.56 +/- 0.80   1.319% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - HA    THR   39   5.66 +/- 0.35   1.020% *  0.0043% (0.05   1.0  1.00   0.02  23.67) =   0.000%
        T QD1   ILE  103 - HA    THR   39  12.83 +/- 0.89   0.007% *  0.2585% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  12.41 +/- 0.84   0.009% *  0.0708% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   ILE  103 - HA    THR   39  12.49 +/- 0.67   0.008% *  0.0698% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   9.26 +/- 1.49   0.089% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  13.98 +/- 1.31   0.005% *  0.0846% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    ILE  103  12.14 +/- 3.04   0.026% *  0.0148% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  15.45 +/- 1.93   0.003% *  0.0279% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  18.78 +/- 0.97   0.001% *  0.0289% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  18.94 +/- 0.98   0.001% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1254 (4.28, 1.86, 38.31 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.66, residual support = 138.2:
    * O T HA    ILE  103 - HB    ILE  103   2.97 +/- 0.05  99.963% * 98.6567% (1.00  10.0 10.00   5.66 138.23) = 100.000%  kept
        T HA    THR   39 - HB    ILE  103  14.92 +/- 0.72   0.007% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB    ILE  103  13.29 +/- 1.34   0.016% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB    ILE  103  19.60 +/- 3.77   0.002% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB    ILE  103  16.88 +/- 4.26   0.007% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB    ILE  103  20.75 +/- 3.34   0.002% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    ILE  103  25.99 +/- 3.52   0.001% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    ILE  103  20.90 +/- 2.40   0.002% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    ILE  103  24.65 +/- 3.09   0.000% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB    ILE  103  32.21 +/- 3.60   0.000% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB    ILE  103  26.82 +/- 1.75   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB    ILE  103  30.77 +/- 3.32   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.854, support = 4.94, residual support = 138.2:
    * O T QG2   ILE  103 - HB    ILE  103   2.13 +/- 0.01  55.428% * 68.8462% (1.00  10.0 10.00   5.01 138.23) =  73.512%  kept
      O T QD1   ILE  103 - HB    ILE  103   2.21 +/- 0.14  44.546% * 30.8659% (0.45  10.0 10.00   4.72 138.23) =  26.488%  kept
          QD2   LEU   40 - HB    ILE  103   7.95 +/- 0.68   0.023% *  0.0664% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  14.27 +/- 3.08   0.001% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  14.67 +/- 0.82   0.001% *  0.0390% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  103  16.20 +/- 1.86   0.000% *  0.0283% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  15.30 +/- 1.07   0.000% *  0.0191% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  20.41 +/- 1.18   0.000% *  0.0675% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1257 (0.96, 1.86, 38.31 ppm):
    7 chemical-shift based assignments, quality = 0.754, support = 4.79, residual support = 138.2:
    * O T QD1   ILE  103 - HB    ILE  103   2.21 +/- 0.14  44.546% * 78.5650% (0.92  10.0 10.00   4.72 138.23) =  74.844%  kept
      O T QG2   ILE  103 - HB    ILE  103   2.13 +/- 0.01  55.428% * 21.2220% (0.25  10.0 10.00   5.01 138.23) =  25.156%  kept
          QD2   LEU   40 - HB    ILE  103   7.95 +/- 0.68   0.023% *  0.0131% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  14.67 +/- 0.82   0.001% *  0.0711% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  15.30 +/- 1.07   0.000% *  0.0849% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  14.27 +/- 3.08   0.001% *  0.0149% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  20.41 +/- 1.18   0.000% *  0.0290% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1258 (4.28, 0.98, 18.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.38, residual support = 138.2:
    * O T HA    ILE  103 - QG2   ILE  103   2.68 +/- 0.12  99.899% * 98.6567% (1.00  10.0 10.00   5.38 138.23) = 100.000%  kept
        T HA    THR   39 - QG2   ILE  103  12.49 +/- 0.67   0.010% *  0.7164% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   ILE  103   9.77 +/- 0.99   0.057% *  0.0933% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   ILE  103  16.44 +/- 2.52   0.004% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   ILE  103  16.18 +/- 2.75   0.004% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   ILE  103  20.07 +/- 2.89   0.006% *  0.0598% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   ILE  103  15.69 +/- 1.97   0.010% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   ILE  103  14.31 +/- 3.10   0.009% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   ILE  103  20.02 +/- 2.35   0.001% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   ILE  103  26.64 +/- 2.86   0.000% *  0.0911% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   ILE  103  21.68 +/- 1.41   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   ILE  103  25.22 +/- 2.64   0.000% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1259 (1.86, 0.98, 18.17 ppm):
    13 chemical-shift based assignments, quality = 0.979, support = 5.02, residual support = 138.2:
    * O T HB    ILE  103 - QG2   ILE  103   2.13 +/- 0.01  84.282% * 82.9317% (1.00  10.0 10.00   5.01 138.23) =  97.420%  kept
      O T HG12  ILE  103 - QG2   ILE  103   3.05 +/- 0.26  11.261% * 16.4121% (0.20  10.0 10.00   5.31 138.23) =   2.576%  kept
          QB    LYS+ 106 - QG2   ILE  103   3.75 +/- 0.55   4.089% *  0.0664% (0.80   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP- 105 - QG2   ILE  103   5.34 +/- 0.23   0.349% *  0.0822% (0.99   1.0  1.00   0.02   2.31) =   0.000%
          HB3   PRO   52 - QG2   ILE  103  16.59 +/- 2.94   0.014% *  0.0341% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE  103  15.61 +/- 2.26   0.001% *  0.0827% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE  103  14.46 +/- 0.54   0.001% *  0.0785% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG2   ILE  103  14.20 +/- 1.27   0.001% *  0.0311% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE  103  16.70 +/- 1.80   0.000% *  0.0744% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE  103  19.27 +/- 2.63   0.000% *  0.0827% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   ILE  103  14.51 +/- 1.33   0.001% *  0.0341% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   ILE  103  13.19 +/- 0.67   0.002% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE  103  17.81 +/- 2.11   0.000% *  0.0693% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1260 (0.98, 0.98, 18.17 ppm):
    1 diagonal assignment:
    *     QG2   ILE  103 - QG2   ILE  103  (1.00)  kept
 
    Peak 1261 (0.96, 0.98, 18.17 ppm):
    1 diagonal assignment:
          QG2   ILE  103 - QG2   ILE  103  (0.25)  kept
    Reference assignment not found: QD1   ILE  103 - QG2   ILE  103
 
    Peak 1262 (4.28, 0.96, 13.94 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 4.92, residual support = 138.2:
    *   T HA    ILE  103 - QD1   ILE  103   3.55 +/- 0.27  99.233% * 98.6567% (0.92 10.00   4.92 138.23) =  99.999%  kept
          HA    ASP-  44 - QD1   ILE  103   9.98 +/- 1.47   0.380% *  0.0933% (0.87  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - QD1   ILE  103  12.83 +/- 0.89   0.048% *  0.7164% (0.67 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   ILE  103  12.13 +/- 3.50   0.199% *  0.0274% (0.26  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QD1   ILE  103  14.42 +/- 3.19   0.055% *  0.0967% (0.90  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   ILE  103  15.58 +/- 3.00   0.047% *  0.0967% (0.90  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD1   ILE  103  18.76 +/- 2.77   0.008% *  0.0790% (0.74  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QD1   ILE  103  16.94 +/- 2.09   0.020% *  0.0305% (0.28  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD1   ILE  103  20.72 +/- 2.64   0.008% *  0.0598% (0.56  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   ILE  103  26.49 +/- 3.18   0.001% *  0.0911% (0.85  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   ILE  103  21.99 +/- 1.65   0.002% *  0.0220% (0.21  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   ILE  103  25.26 +/- 2.87   0.001% *  0.0305% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 0.784, support = 4.7, residual support = 138.2:
    * O T HB    ILE  103 - QD1   ILE  103   2.21 +/- 0.14  45.605% * 82.9317% (0.92  10.0 10.00   4.72 138.23) =  81.189%  kept
      O T HG12  ILE  103 - QD1   ILE  103   2.15 +/- 0.01  53.389% * 16.4121% (0.18  10.0 10.00   4.62 138.23) =  18.810%  kept
          QB    LYS+ 106 - QD1   ILE  103   5.09 +/- 0.94   0.982% *  0.0664% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD1   ILE  103   8.20 +/- 0.54   0.020% *  0.0822% (0.91   1.0  1.00   0.02   2.31) =   0.000%
          QB    LYS+  33 - QD1   ILE  103  13.59 +/- 0.90   0.001% *  0.0785% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE  103  15.79 +/- 2.26   0.001% *  0.0744% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE  103  16.29 +/- 2.59   0.000% *  0.0693% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   ILE  103  17.58 +/- 2.84   0.001% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE  103  13.24 +/- 1.12   0.001% *  0.0207% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD1   ILE  103  17.32 +/- 2.12   0.000% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   ILE  103  15.71 +/- 1.43   0.000% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   ILE  103  20.18 +/- 2.61   0.000% *  0.0827% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD1   ILE  103  17.24 +/- 1.49   0.000% *  0.0341% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1264 (0.98, 0.96, 13.94 ppm):
    1 diagonal assignment:
          QD1   ILE  103 - QD1   ILE  103  (0.41)  kept
    Reference assignment not found: QG2   ILE  103 - QD1   ILE  103
 
    Peak 1265 (0.96, 0.96, 13.94 ppm):
    1 diagonal assignment:
    *     QD1   ILE  103 - QD1   ILE  103  (0.85)  kept
 
    Peak 1266 (4.32, 4.32, 55.17 ppm):
    1 diagonal assignment:
    *     HA    LEU  104 - HA    LEU  104  (1.00)  kept
 
    Peak 1267 (1.04, 4.32, 55.17 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 5.98, residual support = 219.1:
    * O T HB2   LEU  104 - HA    LEU  104   2.98 +/- 0.14  99.906% * 99.7433% (0.87  10.0 10.00   5.98 219.06) = 100.000%  kept
          QG2   VAL  108 - HA    LEU  104  10.38 +/- 0.55   0.061% *  0.1110% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HA    LEU  104  12.95 +/- 1.15   0.018% *  0.0651% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    LEU  104  13.48 +/- 1.30   0.014% *  0.0201% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    LEU  104  20.58 +/- 1.14   0.001% *  0.0605% (0.52   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1268 (0.86, 4.32, 55.17 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 219.1:
    * O T HB3   LEU  104 - HA    LEU  104   2.49 +/- 0.15  99.936% * 99.4463% (0.76  10.0 10.00   5.31 219.06) = 100.000%  kept
          QG1   VAL   70 - HA    LEU  104  10.30 +/- 1.15   0.028% *  0.1256% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    LEU  104  11.82 +/- 2.01   0.015% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU  104  12.69 +/- 1.60   0.013% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    LEU  104  13.52 +/- 1.48   0.006% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  104  16.25 +/- 1.40   0.002% *  0.1167% (0.89   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1269 (1.53, 4.32, 55.17 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.88, residual support = 219.1:
    * O T HG    LEU  104 - HA    LEU  104   3.18 +/- 0.42  98.194% * 99.5259% (1.00  10.0 10.00   5.88 219.06) =  99.999%  kept
          HB3   LYS+ 121 - HA    LEU  104   8.00 +/- 2.41   1.259% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HA    LEU  104   9.62 +/- 2.34   0.518% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    LEU  104  15.95 +/- 2.00   0.012% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LEU  104  17.50 +/- 2.68   0.007% *  0.0976% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LEU  104  20.10 +/- 1.75   0.002% *  0.0960% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HA    LEU  104  19.06 +/- 1.54   0.003% *  0.0374% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU  104  18.43 +/- 1.35   0.003% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  104  20.59 +/- 1.31   0.002% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1270 (0.60, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 5.31, residual support = 219.1:
    *   T QD1   LEU  104 - HA    LEU  104   3.51 +/- 0.55  99.601% * 98.8828% (0.96 10.00   5.31 219.06) =  99.999%  kept
        T QD1   LEU   63 - HA    LEU  104  10.43 +/- 0.89   0.200% *  0.4212% (0.41 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - HA    LEU  104  13.17 +/- 1.40   0.097% *  0.4212% (0.41 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU  104  13.57 +/- 0.69   0.040% *  0.0783% (0.76  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  104  16.42 +/- 2.89   0.029% *  0.0889% (0.87  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  104  18.53 +/- 3.40   0.011% *  0.0820% (0.80  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HA    LEU  104  16.36 +/- 2.38   0.022% *  0.0255% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.23 A, kept.
 
    Peak 1271 (0.73, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.993, support = 5.95, residual support = 218.0:
    *   T QD2   LEU  104 - HA    LEU  104   2.41 +/- 0.56  97.883% * 79.0149% (1.00 10.00   5.98 219.06) =  99.507%  kept
        T QD1   LEU   98 - HA    LEU  104   6.17 +/- 0.77   1.894% * 20.2239% (0.31 10.00   1.66   6.70) =   0.493%
        T QG1   VAL   41 - HA    LEU  104   8.65 +/- 0.94   0.123% *  0.1564% (0.20 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    LEU  104   9.97 +/- 1.36   0.093% *  0.0270% (0.34  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HA    LEU  104  16.41 +/- 1.30   0.002% *  0.4473% (0.56 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    LEU  104  17.57 +/- 1.84   0.003% *  0.0543% (0.69  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU  104  17.53 +/- 1.56   0.002% *  0.0763% (0.96  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1272 (4.32, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 5.98, residual support = 219.1:
    * O T HA    LEU  104 - HB2   LEU  104   2.98 +/- 0.14  99.995% * 99.7454% (0.87  10.0 10.00   5.98 219.06) = 100.000%  kept
          HA    TRP   87 - HB2   LEU  104  18.06 +/- 3.20   0.003% *  0.0448% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   LEU  104  20.82 +/- 3.52   0.001% *  0.0687% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   LEU  104  22.81 +/- 1.79   0.001% *  0.0764% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   LEU  104  27.19 +/- 3.06   0.000% *  0.0647% (0.56   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.44, residual support = 219.1:
    * O T HB3   LEU  104 - HB2   LEU  104   1.75 +/- 0.00  99.975% * 99.4463% (0.66  10.0 10.00   5.44 219.06) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU  104   8.20 +/- 1.20   0.014% *  0.1256% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU  104  10.46 +/- 2.03   0.004% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  104  10.85 +/- 1.60   0.004% *  0.1290% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  104  10.85 +/- 1.40   0.002% *  0.0535% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  104  14.08 +/- 1.36   0.000% *  0.1167% (0.78   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1275 (1.53, 1.04, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 219.1:
    * O T HG    LEU  104 - HB2   LEU  104   2.51 +/- 0.28  98.867% * 99.5259% (0.87  10.0 10.00   6.00 219.06) =  99.999%  kept
          HB3   LYS+ 121 - HB2   LEU  104   6.90 +/- 2.55   0.978% *  0.0995% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HB2   LEU  104   8.71 +/- 2.41   0.143% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB2   LEU  104  13.85 +/- 1.92   0.005% *  0.0684% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LEU  104  16.66 +/- 2.59   0.002% *  0.0976% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   LEU  104  17.69 +/- 1.75   0.002% *  0.0960% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB2   LEU  104  17.39 +/- 1.67   0.001% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  104  16.79 +/- 1.27   0.002% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  104  17.86 +/- 1.19   0.001% *  0.0248% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1276 (0.60, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.837, support = 5.44, residual support = 219.1:
    * O T QD1   LEU  104 - HB2   LEU  104   2.52 +/- 0.32  99.800% * 98.8828% (0.84  10.0 10.00   5.44 219.06) =  99.999%  kept
        T QD1   LEU   63 - HB2   LEU  104   8.33 +/- 0.77   0.132% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - HB2   LEU  104  11.55 +/- 1.29   0.037% *  0.4212% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  104  15.42 +/- 2.75   0.011% *  0.0889% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU  104  12.10 +/- 0.92   0.011% *  0.0783% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  104  17.18 +/- 3.23   0.003% *  0.0820% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   LEU  104  15.46 +/- 2.33   0.007% *  0.0255% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1277 (0.73, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 6.25, residual support = 219.1:
    * O T QD2   LEU  104 - HB2   LEU  104   2.92 +/- 0.39  96.818% * 99.0156% (0.87  10.0 10.00   6.25 219.06) =  99.998%  kept
        T QG1   VAL   41 - HB2   LEU  104   7.55 +/- 0.85   0.532% *  0.1960% (0.17   1.0 10.00   0.02   0.02) =   0.001%
          QD1   LEU   98 - HB2   LEU  104   5.90 +/- 0.82   2.389% *  0.0306% (0.27   1.0  1.00   0.02   6.70) =   0.001%
          QG1   VAL   43 - HB2   LEU  104   8.57 +/- 1.37   0.240% *  0.0338% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB2   LEU  104  14.19 +/- 1.25   0.011% *  0.5606% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB2   LEU  104  15.49 +/- 1.41   0.006% *  0.0956% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB2   LEU  104  15.95 +/- 1.58   0.005% *  0.0680% (0.60   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1278 (4.32, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 219.1:
    * O T HA    LEU  104 - HB3   LEU  104   2.49 +/- 0.15  99.993% * 99.7454% (0.76  10.0 10.00   5.31 219.06) = 100.000%  kept
          HA    TRP   87 - HB3   LEU  104  19.19 +/- 3.66   0.005% *  0.0448% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   LEU  104  22.06 +/- 3.92   0.001% *  0.0687% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   LEU  104  23.90 +/- 1.89   0.000% *  0.0764% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   LEU  104  28.21 +/- 3.14   0.000% *  0.0647% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1279 (1.04, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.663, support = 5.44, residual support = 219.1:
    * O T HB2   LEU  104 - HB3   LEU  104   1.75 +/- 0.00  99.995% * 99.7433% (0.66  10.0 10.00   5.44 219.06) = 100.000%  kept
          QG2   VAL  108 - HB3   LEU  104  10.67 +/- 0.52   0.002% *  0.1110% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LEU  104  11.60 +/- 1.37   0.002% *  0.0651% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB3   LEU  104  11.77 +/- 1.54   0.002% *  0.0201% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU  104  19.63 +/- 1.12   0.000% *  0.0605% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1280 (0.86, 0.86, 43.48 ppm):
    1 diagonal assignment:
    *     HB3   LEU  104 - HB3   LEU  104  (0.58)  kept
 
    Peak 1281 (1.53, 0.86, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.28, residual support = 219.1:
    * O T HG    LEU  104 - HB3   LEU  104   2.88 +/- 0.18  96.065% * 99.5259% (0.76  10.0 10.00   5.28 219.06) =  99.997%  kept
          HB3   LYS+ 121 - HB3   LEU  104   6.48 +/- 2.61   3.090% *  0.0995% (0.76   1.0  1.00   0.02   0.02) =   0.003%
          HD2   LYS+ 121 - HB3   LEU  104   8.27 +/- 2.50   0.824% *  0.0307% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB3   LEU  104  14.08 +/- 2.30   0.011% *  0.0684% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   LEU  104  17.07 +/- 2.54   0.003% *  0.0976% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   LEU  104  19.13 +/- 1.93   0.002% *  0.0960% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB3   LEU  104  18.61 +/- 1.58   0.002% *  0.0374% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB3   LEU  104  18.06 +/- 1.35   0.002% *  0.0197% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LEU  104  18.70 +/- 1.53   0.002% *  0.0248% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (0.60, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.738, support = 5.0, residual support = 219.1:
    * O T QD1   LEU  104 - HB3   LEU  104   2.37 +/- 0.33  99.939% * 98.8828% (0.74  10.0 10.00   5.00 219.06) = 100.000%  kept
        T QD1   LEU   63 - HB3   LEU  104   9.18 +/- 0.96   0.043% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU  104  12.86 +/- 1.37   0.006% *  0.4212% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU  104  12.46 +/- 0.98   0.007% *  0.0783% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU  104  16.66 +/- 2.98   0.002% *  0.0889% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  104  18.48 +/- 3.37   0.001% *  0.0820% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB3   LEU  104  16.52 +/- 2.64   0.002% *  0.0255% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1283 (0.73, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 5.42, residual support = 219.1:
    * O T QD2   LEU  104 - HB3   LEU  104   2.64 +/- 0.35  99.084% * 99.0156% (0.76  10.0 10.00   5.42 219.06) =  99.999%  kept
        T QG1   VAL   41 - HB3   LEU  104   8.65 +/- 0.79   0.110% *  0.1960% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HB3   LEU  104   6.96 +/- 0.68   0.423% *  0.0306% (0.24   1.0  1.00   0.02   6.70) =   0.000%
          QG1   VAL   43 - HB3   LEU  104   9.88 +/- 1.55   0.375% *  0.0338% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB3   LEU  104  15.30 +/- 1.40   0.004% *  0.5606% (0.43   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB3   LEU  104  16.65 +/- 1.47   0.003% *  0.0956% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HB3   LEU  104  17.10 +/- 1.82   0.002% *  0.0680% (0.52   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1284 (4.32, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 5.88, residual support = 219.1:
    * O T HA    LEU  104 - HG    LEU  104   3.18 +/- 0.42  99.992% * 99.7454% (1.00  10.0 10.00   5.88 219.06) = 100.000%  kept
          HA    TRP   87 - HG    LEU  104  18.44 +/- 3.40   0.004% *  0.0448% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG    LEU  104  20.85 +/- 3.74   0.002% *  0.0687% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG    LEU  104  22.96 +/- 2.09   0.001% *  0.0764% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG    LEU  104  27.00 +/- 3.39   0.000% *  0.0647% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1285 (1.04, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 219.1:
    * O T HB2   LEU  104 - HG    LEU  104   2.51 +/- 0.28  99.972% * 99.7433% (0.87  10.0 10.00   6.00 219.06) = 100.000%  kept
          QG2   VAL  108 - HG    LEU  104  11.51 +/- 0.50   0.013% *  0.1110% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU  104  12.98 +/- 1.55   0.008% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HG    LEU  104  12.70 +/- 1.57   0.007% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HG    LEU  104  21.41 +/- 1.21   0.000% *  0.0605% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1286 (0.86, 1.53, 26.82 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 5.28, residual support = 219.1:
    * O T HB3   LEU  104 - HG    LEU  104   2.88 +/- 0.18  99.520% * 99.4463% (0.76  10.0 10.00   5.28 219.06) =  99.999%  kept
          QG1   VAL   70 - HG    LEU  104   8.48 +/- 1.62   0.314% *  0.1256% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU  104  10.50 +/- 1.56   0.087% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - HG    LEU  104  11.77 +/- 2.44   0.048% *  0.1290% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  104  12.41 +/- 1.86   0.024% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  104  14.82 +/- 1.39   0.007% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1287 (1.53, 1.53, 26.82 ppm):
    1 diagonal assignment:
    *     HG    LEU  104 - HG    LEU  104  (1.00)  kept
 
    Peak 1288 (0.60, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.28, residual support = 219.1:
    * O T QD1   LEU  104 - HG    LEU  104   2.11 +/- 0.02  99.974% * 98.8828% (0.97  10.0 10.00   5.28 219.06) = 100.000%  kept
        T QD1   LEU   63 - HG    LEU  104   9.87 +/- 1.04   0.012% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU  104  11.43 +/- 1.43   0.009% *  0.4212% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  104  15.56 +/- 2.84   0.002% *  0.0889% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG    LEU  104  14.00 +/- 0.99   0.001% *  0.0783% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  104  17.44 +/- 3.36   0.001% *  0.0820% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG    LEU  104  16.35 +/- 2.29   0.001% *  0.0255% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1289 (0.73, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.01, residual support = 219.1:
    * O T QD2   LEU  104 - HG    LEU  104   2.12 +/- 0.01  99.217% * 99.0156% (1.00  10.0 10.00   6.01 219.06) =  99.999%  kept
        T QG1   VAL   41 - HG    LEU  104   6.62 +/- 1.10   0.166% *  0.1960% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU  104   5.47 +/- 0.76   0.575% *  0.0306% (0.31   1.0  1.00   0.02   6.70) =   0.000%
          QG1   VAL   43 - HG    LEU  104   8.89 +/- 1.26   0.039% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HG    LEU  104  15.09 +/- 1.41   0.001% *  0.5606% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HG    LEU  104  15.52 +/- 1.54   0.001% *  0.0956% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU  104  16.95 +/- 1.54   0.000% *  0.0680% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1290 (4.32, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.963, support = 5.31, residual support = 219.1:
    *   T HA    LEU  104 - QD1   LEU  104   3.51 +/- 0.55  99.153% * 99.2875% (0.96 10.00   5.31 219.06) =  99.999%  kept
        T HA    LEU  104 - QD1   LEU   63  10.43 +/- 0.89   0.198% *  0.1829% (0.18 10.00   0.02   0.02) =   0.000%
        T HA    LEU  104 - QD1   LEU   73  13.17 +/- 1.40   0.095% *  0.1829% (0.18 10.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU  104  16.47 +/- 3.57   0.159% *  0.0446% (0.43  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU  104  18.48 +/- 3.80   0.049% *  0.0684% (0.66  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   73  12.57 +/- 1.61   0.081% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   73  12.75 +/- 1.34   0.066% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   73  12.52 +/- 1.50   0.081% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   73  15.74 +/- 2.92   0.050% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU  104  18.67 +/- 1.83   0.007% *  0.0760% (0.74  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   63  15.09 +/- 1.23   0.028% *  0.0140% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU  104  22.06 +/- 2.89   0.003% *  0.0644% (0.62  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   63  15.91 +/- 1.43   0.016% *  0.0082% (0.08  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   63  18.14 +/- 1.47   0.007% *  0.0126% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   63  19.64 +/- 2.07   0.006% *  0.0119% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 0.769, support = 5.45, residual support = 220.9:
    * O T HB2   LEU  104 - QD1   LEU  104   2.52 +/- 0.32  26.185% * 94.8278% (0.84  10.0 10.00   5.44 219.06) =  91.600%  kept
      O T HG    LEU   63 - QD1   LEU   63   2.11 +/- 0.01  64.267% *  3.5262% (0.03  10.0 10.00   5.60 242.62) =   8.360%  kept
        T QD1   ILE  119 - QD1   LEU   63   4.06 +/- 1.34   9.466% *  0.1140% (0.10   1.0 10.00   0.02   0.02) =   0.040%
        T HB2   LEU  104 - QD1   LEU   63   8.33 +/- 0.77   0.021% *  0.1747% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   ILE  119 - QD1   LEU  104  10.43 +/- 1.49   0.006% *  0.6189% (0.55   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  10.14 +/- 1.34   0.008% *  0.1915% (0.17   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QD1   LEU   73  11.55 +/- 1.29   0.005% *  0.1747% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU  104  10.22 +/- 0.48   0.005% *  0.1055% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   63   8.21 +/- 1.27   0.024% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   ILE  119 - QD1   LEU   73  12.99 +/- 1.14   0.001% *  0.1140% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU   73  11.85 +/- 1.14   0.003% *  0.0353% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63  10.56 +/- 1.42   0.005% *  0.0106% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   73  11.85 +/- 1.42   0.003% *  0.0194% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  17.71 +/- 1.34   0.000% *  0.0575% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  19.39 +/- 2.31   0.000% *  0.0106% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1292 (0.86, 0.60, 26.08 ppm):
    18 chemical-shift based assignments, quality = 0.695, support = 5.05, residual support = 220.5:
    * O T HB3   LEU  104 - QD1   LEU  104   2.37 +/- 0.33  54.330% * 89.6045% (0.74  10.0 10.00   5.00 219.06) =  93.667%  kept
      O T HB3   LEU   63 - QD1   LEU   63   2.52 +/- 0.17  37.049% *  8.8779% (0.07  10.0 10.00   5.86 242.62) =   6.328%  kept
          QD1   LEU   71 - QD1   LEU   73   4.48 +/- 1.49   6.985% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.003%
          QG1   VAL   70 - QD1   LEU  104   6.50 +/- 1.54   0.325% *  0.1132% (0.93   1.0  1.00   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU   63   5.97 +/- 1.23   0.482% *  0.0208% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104   8.99 +/- 2.40   0.060% *  0.1162% (0.96   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104   9.92 +/- 1.43   0.014% *  0.4820% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104   8.69 +/- 1.56   0.053% *  0.1162% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   73   6.20 +/- 0.78   0.230% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   63   6.95 +/- 1.36   0.151% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   63   7.06 +/- 1.15   0.154% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   63   9.18 +/- 0.96   0.017% *  0.1650% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   63   8.93 +/- 1.67   0.100% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   8.20 +/- 0.73   0.037% *  0.0208% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU   73  10.99 +/- 1.48   0.006% *  0.0888% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   73  12.86 +/- 1.37   0.003% *  0.1650% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  12.36 +/- 1.32   0.003% *  0.1052% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  14.55 +/- 1.62   0.001% *  0.0214% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1293 (1.53, 0.60, 26.08 ppm):
    27 chemical-shift based assignments, quality = 0.965, support = 5.28, residual support = 219.1:
    * O T HG    LEU  104 - QD1   LEU  104   2.11 +/- 0.02  97.147% * 98.9901% (0.97  10.0 10.00   5.28 219.06) =  99.999%  kept
          HB3   LYS+ 121 - QD1   LEU  104   6.77 +/- 2.56   0.398% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   73   4.25 +/- 0.44   1.766% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  104   8.36 +/- 2.36   0.169% *  0.0306% (0.30   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QD1   LEU   63   9.87 +/- 1.04   0.011% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   63   7.57 +/- 1.79   0.092% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QD1   LEU   73  11.43 +/- 1.43   0.009% *  0.1823% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   73   6.90 +/- 1.03   0.135% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   63   7.40 +/- 0.67   0.064% *  0.0125% (0.12   1.0  1.00   0.02   5.49) =   0.000%
          HD3   LYS+  74 - QD1   LEU   63   8.68 +/- 1.58   0.040% *  0.0176% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   63   8.22 +/- 1.93   0.095% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU  104  11.69 +/- 1.89   0.005% *  0.0680% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   73   9.01 +/- 0.39   0.017% *  0.0176% (0.17   1.0  1.00   0.02  42.16) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   63  10.60 +/- 2.05   0.010% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   63   8.26 +/- 0.34   0.028% *  0.0045% (0.04   1.0  1.00   0.02   1.58) =   0.000%
          HD3   LYS+  74 - QD1   LEU  104  15.89 +/- 1.80   0.001% *  0.0955% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU  104  15.90 +/- 2.10   0.001% *  0.0970% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU  104  13.82 +/- 1.50   0.002% *  0.0372% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  104  14.13 +/- 1.28   0.001% *  0.0196% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  104  15.37 +/- 1.37   0.001% *  0.0247% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   73  15.37 +/- 2.08   0.001% *  0.0182% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   73  14.54 +/- 0.51   0.001% *  0.0125% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   63  12.54 +/- 1.11   0.003% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   73  13.94 +/- 1.44   0.001% *  0.0045% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   63  15.34 +/- 1.76   0.001% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   73  18.64 +/- 1.94   0.000% *  0.0179% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   73  16.56 +/- 1.77   0.001% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.51, residual support = 219.1:
    * O T QD2   LEU  104 - QD1   LEU  104   2.08 +/- 0.05  85.895% * 98.3006% (0.97  10.0 10.00   5.51 219.06) =  99.996%  kept
        T QG1   VAL   41 - QD1   LEU   73   5.11 +/- 1.00   3.526% *  0.0358% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - QD1   LEU   73   3.71 +/- 0.96   8.513% *  0.0062% (0.06   1.0  1.00   0.02   8.20) =   0.001%
        T QG1   VAL   41 - QD1   LEU  104   6.05 +/- 0.88   0.235% *  0.1945% (0.19   1.0 10.00   0.02   0.02) =   0.001%
        T QG2   VAL   18 - QD1   LEU   63   6.48 +/- 1.21   0.185% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU  104   5.60 +/- 0.96   0.524% *  0.0303% (0.30   1.0  1.00   0.02   6.70) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   8.01 +/- 1.52   0.410% *  0.0335% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   73  10.33 +/- 1.74   0.054% *  0.1810% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   73   5.53 +/- 0.71   0.341% *  0.0175% (0.17   1.0  1.00   0.02   4.00) =   0.000%
        T QG2   VAL   18 - QD1   LEU   73   7.50 +/- 0.70   0.048% *  0.1025% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   63   8.89 +/- 0.78   0.016% *  0.1810% (0.18   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QD1   LEU  104  12.46 +/- 1.48   0.003% *  0.5565% (0.55   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   73   8.84 +/- 1.12   0.045% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   73   7.00 +/- 1.00   0.085% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63   9.24 +/- 0.68   0.012% *  0.0358% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   7.41 +/- 0.89   0.053% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   63   9.08 +/- 1.80   0.023% *  0.0124% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU  104  12.89 +/- 1.50   0.002% *  0.0949% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   63  10.33 +/- 1.44   0.009% *  0.0175% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   63   8.91 +/- 1.03   0.019% *  0.0056% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU  104  14.52 +/- 1.57   0.001% *  0.0675% (0.66   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1296 (4.32, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.998, support = 5.98, residual support = 219.1:
    *   T HA    LEU  104 - QD2   LEU  104   2.41 +/- 0.56  99.686% * 99.4871% (1.00 10.00   5.98 219.06) = 100.000%  kept
        T HA    LEU  104 - QG1   VAL   41   8.65 +/- 0.94   0.143% *  0.0534% (0.05 10.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   VAL   18   9.67 +/- 0.93   0.065% *  0.0117% (0.12  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QD2   LEU  104  16.15 +/- 3.06   0.011% *  0.0447% (0.45  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   VAL   18  14.19 +/- 2.30   0.051% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LEU  104 - QG2   VAL   18  16.41 +/- 1.30   0.002% *  0.1529% (0.15 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD2   LEU  104  18.19 +/- 3.43   0.005% *  0.0685% (0.69  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD2   LEU  104  19.87 +/- 2.10   0.001% *  0.0762% (0.76  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD2   LEU  104  23.12 +/- 3.39   0.001% *  0.0645% (0.65  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG1   VAL   41  14.92 +/- 2.38   0.008% *  0.0037% (0.04  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG1   VAL   41  15.37 +/- 1.88   0.007% *  0.0041% (0.04  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG1   VAL   41  14.19 +/- 2.03   0.012% *  0.0024% (0.02  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QG1   VAL   41  18.13 +/- 3.36   0.004% *  0.0035% (0.03  1.00   0.02   0.02) =   0.000%
          HA    TRP   87 - QG2   VAL   18  17.20 +/- 1.39   0.002% *  0.0069% (0.07  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   VAL   18  18.16 +/- 1.19   0.001% *  0.0105% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1297 (1.04, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 6.25, residual support = 219.1:
    * O T HB2   LEU  104 - QD2   LEU  104   2.92 +/- 0.39  98.127% * 99.4846% (0.87  10.0 10.00   6.25 219.06) = 100.000%  kept
        T HB2   LEU  104 - QG1   VAL   41   7.55 +/- 0.85   0.539% *  0.0534% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD2   LEU  104  10.10 +/- 0.51   0.070% *  0.1107% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QD2   LEU  104  11.30 +/- 1.21   0.038% *  0.0649% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG2   VAL   18   7.95 +/- 1.78   0.774% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   18   9.03 +/- 1.54   0.224% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QG2   VAL   18  14.19 +/- 1.25   0.011% *  0.1529% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QD2   LEU  104  11.35 +/- 1.01   0.036% *  0.0201% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG2   VAL   18  14.71 +/- 3.09   0.071% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   VAL   18  12.52 +/- 1.17   0.026% *  0.0170% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG1   VAL   41  11.69 +/- 0.92   0.036% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD2   LEU  104  18.37 +/- 1.15   0.002% *  0.0603% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   41  13.01 +/- 1.13   0.017% *  0.0035% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   41  11.93 +/- 0.95   0.030% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   41  20.43 +/- 1.60   0.001% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1298 (0.86, 0.73, 22.45 ppm):
    18 chemical-shift based assignments, quality = 0.526, support = 4.88, residual support = 165.1:
    * O T HB3   LEU  104 - QD2   LEU  104   2.64 +/- 0.35  22.413% * 83.3286% (0.76  10.0 10.00   5.42 219.06) =  62.019%  kept
      O T QG1   VAL   18 - QG2   VAL   18   2.07 +/- 0.05  76.115% * 15.0261% (0.14  10.0 10.00   4.00  77.06) =  37.980%  kept
          QD1   LEU   71 - QG1   VAL   41   4.77 +/- 1.14   1.087% *  0.0058% (0.05   1.0  1.00   0.02   4.38) =   0.000%
          QG1   VAL   70 - QD2   LEU  104   7.58 +/- 1.01   0.047% *  0.1052% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104   9.41 +/- 1.45   0.018% *  0.1081% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  13.19 +/- 1.34   0.002% *  0.9779% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104   9.94 +/- 1.83   0.012% *  0.1081% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG1   VAL   41   8.65 +/- 0.79   0.017% *  0.0448% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   7.19 +/- 1.45   0.104% *  0.0069% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   7.98 +/- 1.36   0.043% *  0.0162% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG2   VAL   18   8.11 +/- 1.04   0.034% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   6.57 +/- 0.51   0.086% *  0.0057% (0.05   1.0  1.00   0.02   2.70) =   0.000%
        T QG1   VAL   18 - QG1   VAL   41   9.87 +/- 1.06   0.008% *  0.0525% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  11.09 +/- 1.21   0.004% *  0.0448% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  15.30 +/- 1.40   0.001% *  0.1280% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  11.93 +/- 1.57   0.003% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  12.90 +/- 1.86   0.002% *  0.0058% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  11.10 +/- 1.09   0.004% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1299 (1.53, 0.73, 22.45 ppm):
    27 chemical-shift based assignments, quality = 1.0, support = 6.01, residual support = 219.1:
    * O T HG    LEU  104 - QD2   LEU  104   2.12 +/- 0.01  92.879% * 99.1829% (1.00  10.0 10.00   6.01 219.06) =  99.998%  kept
          HG2   LYS+  65 - QG2   VAL   18   6.34 +/- 3.07   2.308% *  0.0448% (0.04   1.0  1.00   0.24   0.02) =   0.001%
          HD3   LYS+  74 - QG2   VAL   18   4.10 +/- 1.00   4.366% *  0.0147% (0.15   1.0  1.00   0.02   0.99) =   0.001%
          HB3   LYS+ 121 - QD2   LEU  104   7.46 +/- 2.02   0.095% *  0.0992% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG1   VAL   41   6.62 +/- 1.10   0.156% *  0.0533% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  104   8.99 +/- 2.10   0.042% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  12.92 +/- 1.72   0.003% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG1   VAL   41   7.39 +/- 0.96   0.072% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG2   VAL   18   9.91 +/- 1.63   0.013% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG2   VAL   18  15.09 +/- 1.41   0.001% *  0.1524% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD2   LEU  104  16.77 +/- 1.88   0.001% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG2   VAL   18   8.61 +/- 0.63   0.023% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU  104  16.20 +/- 2.08   0.001% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD2   LEU  104  14.31 +/- 1.17   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  14.58 +/- 1.61   0.001% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QG1   VAL   41   8.91 +/- 0.94   0.024% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG1   VAL   41  12.47 +/- 2.23   0.003% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG2   VAL   18  14.82 +/- 1.84   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG2   VAL   18  16.00 +/- 1.74   0.001% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG2   VAL   18  13.22 +/- 1.45   0.002% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  16.76 +/- 1.32   0.000% *  0.0247% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG1   VAL   41  13.54 +/- 0.91   0.002% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG2   VAL   18  15.42 +/- 2.02   0.001% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  14.04 +/- 0.76   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG1   VAL   41  13.98 +/- 2.22   0.002% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG1   VAL   41  18.93 +/- 1.84   0.000% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QG1   VAL   41  15.70 +/- 0.87   0.001% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1300 (0.60, 0.73, 22.45 ppm):
    21 chemical-shift based assignments, quality = 0.965, support = 5.51, residual support = 219.1:
    * O T QD1   LEU  104 - QD2   LEU  104   2.08 +/- 0.05  95.603% * 98.4528% (0.97  10.0 10.00   5.51 219.06) =  99.998%  kept
        T QD1   LEU   73 - QG1   VAL   41   5.11 +/- 1.00   3.721% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - QD2   LEU  104  10.33 +/- 1.74   0.060% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG1   VAL   41   6.05 +/- 0.88   0.253% *  0.0529% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG2   VAL   18   6.48 +/- 1.21   0.203% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104   8.89 +/- 0.78   0.018% *  0.4194% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG2   VAL   18   7.50 +/- 0.70   0.053% *  0.0644% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU  104  13.76 +/- 2.79   0.008% *  0.0885% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG2   VAL   18  12.46 +/- 1.48   0.003% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   9.24 +/- 0.68   0.014% *  0.0225% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU  104  12.13 +/- 0.77   0.003% *  0.0780% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG2   VAL   18   9.57 +/- 1.29   0.014% *  0.0126% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU  104  15.37 +/- 3.26   0.002% *  0.0817% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   18  10.10 +/- 1.26   0.010% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG2   VAL   18  10.79 +/- 1.03   0.006% *  0.0136% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG1   VAL   41   9.92 +/- 1.74   0.011% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD2   LEU  104  14.37 +/- 2.27   0.002% *  0.0254% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG2   VAL   18  11.23 +/- 1.80   0.007% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL   41  11.10 +/- 2.60   0.006% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG1   VAL   41  14.06 +/- 0.72   0.001% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG1   VAL   41  12.71 +/- 1.28   0.002% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1301 (0.73, 0.73, 22.45 ppm):
    3 diagonal assignments:
    *     QD2   LEU  104 - QD2   LEU  104  (1.00)  kept
          QG2   VAL   18 - QG2   VAL   18  (0.09)  kept
          QG1   VAL   41 - QG1   VAL   41  (0.01)  kept
 
    Peak 1302 (4.80, 4.80, 54.18 ppm):
    1 diagonal assignment:
    *     HA    ASP- 105 - HA    ASP- 105  (1.00)  kept
 
    Peak 1303 (2.23, 4.80, 54.18 ppm):
    9 chemical-shift based assignments, quality = 0.946, support = 3.21, residual support = 42.8:
    * O T HB2   ASP- 105 - HA    ASP- 105   2.62 +/- 0.18  99.866% * 99.5527% (0.95  10.0 10.00   3.21  42.75) = 100.000%  kept
          HB2   MET   96 - HA    ASP- 105   8.74 +/- 0.75   0.093% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP- 105  10.42 +/- 0.84   0.030% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP- 105  15.09 +/- 1.00   0.003% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    ASP- 105  13.76 +/- 1.44   0.006% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP- 105  17.40 +/- 1.10   0.001% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ASP- 105  22.80 +/- 1.75   0.000% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    ASP- 105  20.19 +/- 0.93   0.001% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP- 105  23.87 +/- 0.90   0.000% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1304 (4.80, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.21, residual support = 42.8:
    * O T HA    ASP- 105 - HB2   ASP- 105   2.62 +/- 0.18  99.999% * 99.7814% (0.95  10.0 10.00   3.21  42.75) = 100.000%  kept
          HA    LEU   80 - HB2   ASP- 105  23.96 +/- 2.37   0.000% *  0.0763% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   23 - HB2   ASP- 105  24.28 +/- 1.84   0.000% *  0.0895% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB2   ASP- 105  22.25 +/- 1.89   0.000% *  0.0374% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  78 - HB2   ASP- 105  24.55 +/- 2.10   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.25, residual support = 135.8:
    * O T QB    LYS+ 106 - HA    LYS+ 106   2.16 +/- 0.08  98.711% * 99.1664% (1.00  10.0 10.00   6.25 135.79) =  99.999%  kept
          HB3   ASP- 105 - HA    LYS+ 106   4.65 +/- 0.41   1.233% *  0.0860% (0.87   1.0  1.00   0.02  21.58) =   0.001%
          HB    ILE  103 - HA    LYS+ 106   8.24 +/- 0.73   0.036% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+ 106  11.49 +/- 1.26   0.006% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+ 106  15.56 +/- 2.45   0.007% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+ 106  12.27 +/- 0.64   0.003% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+ 106  17.86 +/- 2.45   0.001% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+ 106  16.82 +/- 2.69   0.001% *  0.0758% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+ 106  17.85 +/- 1.30   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+ 106  18.34 +/- 0.77   0.000% *  0.0938% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+ 106  20.34 +/- 1.77   0.000% *  0.0989% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+ 106  17.02 +/- 0.72   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+ 106  18.48 +/- 0.84   0.000% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1309 (1.56, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.02, residual support = 135.8:
    * O T HG2   LYS+ 106 - HA    LYS+ 106   3.93 +/- 0.32  99.405% * 98.2431% (1.00  10.0 10.00   5.02 135.79) = 100.000%  kept
          HB3   LYS+ 111 - HA    LYS+ 106  10.89 +/- 2.41   0.526% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - HA    LYS+ 106  20.37 +/- 1.71   0.006% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+ 106  20.05 +/- 1.55   0.007% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+ 106  14.29 +/- 1.49   0.056% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1310 (1.70, 5.63, 56.31 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.8, residual support = 135.8:
    *   T QD    LYS+ 106 - HA    LYS+ 106   3.90 +/- 0.26  97.992% * 98.5750% (1.00 10.00   4.80 135.79) =  99.997%  kept
        T QD    LYS+  99 - HA    LYS+ 106  11.56 +/- 0.50   0.163% *  0.9836% (1.00 10.00   0.02   0.02) =   0.002%
          QG1   ILE   56 - HA    LYS+ 106   8.93 +/- 1.28   0.847% *  0.0480% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 106  11.59 +/- 0.80   0.179% *  0.0823% (0.84  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+ 106  12.90 +/- 2.12   0.143% *  0.0716% (0.73  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LYS+ 106  11.34 +/- 0.59   0.188% *  0.0370% (0.38  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LYS+ 106  11.82 +/- 1.40   0.245% *  0.0246% (0.25  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 106  13.75 +/- 1.09   0.063% *  0.0932% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 106  12.34 +/- 0.60   0.118% *  0.0405% (0.41  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 106  13.81 +/- 1.54   0.062% *  0.0442% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1311 (2.98, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 0.974, support = 5.07, residual support = 123.7:
    *   T QE    LYS+ 106 - HA    LYS+ 106   4.26 +/- 0.34  54.680% * 88.5783% (1.00 10.00   5.23 135.79) =  90.518%  kept
          HB2   PHE   97 - HA    LYS+ 106   4.50 +/- 0.78  45.036% * 11.2650% (0.73  1.00   3.50   8.66) =   9.481%  kept
          HB3   PHE   60 - HA    LYS+ 106  11.15 +/- 1.43   0.253% *  0.0838% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    LYS+ 106  15.57 +/- 1.09   0.024% *  0.0608% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 106  19.05 +/- 1.09   0.007% *  0.0120% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1312 (5.63, 1.87, 37.27 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.25, residual support = 135.8:
    * O T HA    LYS+ 106 - QB    LYS+ 106   2.16 +/- 0.08 100.000% *100.0000% (1.00  10.0 10.00   6.25 135.79) = 100.000%  kept
    Distance limit 3.37 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 = 5.25, residual support = 135.8:
    * O T HG2   LYS+ 106 - QB    LYS+ 106   2.25 +/- 0.10  99.965% * 98.2431% (1.00  10.0 10.00   5.25 135.79) = 100.000%  kept
        T QG    LYS+  81 - QB    LYS+ 106  17.57 +/- 1.81   0.001% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+ 106   9.96 +/- 2.19   0.032% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+ 106  18.37 +/- 1.42   0.000% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+ 106  13.55 +/- 1.28   0.003% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1316 (1.70, 1.87, 37.27 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.02, residual support = 135.8:
    * O T QD    LYS+ 106 - QB    LYS+ 106   2.32 +/- 0.17  99.846% * 97.1433% (1.00  10.0 10.00   5.02 135.79) =  99.999%  kept
        T QG1   ILE   56 - QB    LYS+ 106   8.96 +/- 1.33   0.044% *  0.4728% (0.49   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 106  11.53 +/- 2.09   0.023% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QB    LYS+ 106  11.14 +/- 0.42   0.010% *  0.9693% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 106   9.85 +/- 0.77   0.022% *  0.0811% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - QB    LYS+ 106  14.11 +/- 1.28   0.002% *  0.4355% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QB    LYS+ 106  10.05 +/- 1.43   0.029% *  0.0242% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 106  12.71 +/- 1.12   0.005% *  0.0919% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QB    LYS+ 106  10.78 +/- 0.63   0.011% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QB    LYS+ 106  11.22 +/- 0.51   0.009% *  0.0399% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1317 (2.98, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 0.992, support = 5.31, residual support = 131.9:
    *   T QE    LYS+ 106 - QB    LYS+ 106   2.95 +/- 0.70  90.517% * 76.5319% (1.00 10.00   5.45 135.79) =  96.934%  kept
        T HB2   PHE   97 - QB    LYS+ 106   5.04 +/- 0.86   9.390% * 23.3328% (0.73 10.00   0.84   8.66) =   3.066%  kept
          HB3   PHE   60 - QB    LYS+ 106  11.34 +/- 1.32   0.071% *  0.0724% (0.95  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QB    LYS+ 106  13.84 +/- 1.15   0.017% *  0.0526% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+ 106  16.99 +/- 1.07   0.004% *  0.0104% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1324 (5.63, 1.56, 25.37 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.02, residual support = 135.8:
    * O T HA    LYS+ 106 - HG2   LYS+ 106   3.93 +/- 0.32  99.987% * 99.1803% (1.00  10.0 10.00   5.02 135.79) = 100.000%  kept
        T HA    LYS+ 106 - HG2   LYS+  33  20.05 +/- 1.55   0.007% *  0.6015% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 106 - QG    LYS+  81  20.37 +/- 1.71   0.006% *  0.2182% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 0.739, support = 5.36, residual support = 134.2:
    * O T QB    LYS+ 106 - HG2   LYS+ 106   2.25 +/- 0.10  28.904% * 54.3218% (1.00  10.0 10.00   5.25 135.79) =  54.065%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.30 +/- 0.11  25.532% * 31.1646% (0.57  10.0 10.00   5.67 148.41) =  27.399%  kept
      O T QB    LYS+  81 - QG    LYS+  81   2.08 +/- 0.02  45.135% * 11.9258% (0.22  10.0 10.00   5.25 108.77) =  18.535%  kept
          HB    ILE  103 - HG2   LYS+ 106   6.00 +/- 1.19   0.122% *  0.0435% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  33   5.75 +/- 0.87   0.231% *  0.0135% (0.25   1.0  1.00   0.02   0.17) =   0.000%
          HB3   ASP- 105 - HG2   LYS+ 106   6.57 +/- 0.55   0.061% *  0.0471% (0.87   1.0  1.00   0.02  21.58) =   0.000%
          HB3   GLN   90 - QG    LYS+  81  10.21 +/- 1.99   0.008% *  0.0117% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.06 +/- 1.21   0.003% *  0.0200% (0.37   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  19.26 +/- 0.96   0.000% *  0.5139% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  20.37 +/- 2.65   0.000% *  0.5420% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  18.37 +/- 1.42   0.000% *  0.3294% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  14.33 +/- 1.37   0.001% *  0.0415% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  17.57 +/- 1.81   0.000% *  0.1195% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  12.94 +/- 1.21   0.001% *  0.0151% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  21.02 +/- 1.63   0.000% *  0.3287% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  17.53 +/- 2.30   0.000% *  0.0532% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  18.99 +/- 1.56   0.000% *  0.1131% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  16.89 +/- 2.20   0.000% *  0.0252% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  20.51 +/- 2.74   0.000% *  0.0454% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  19.69 +/- 2.53   0.000% *  0.0415% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  18.27 +/- 3.74   0.000% *  0.0100% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  19.01 +/- 1.08   0.000% *  0.0329% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.66 +/- 1.33   0.000% *  0.0264% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  18.12 +/- 1.00   0.000% *  0.0223% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  15.32 +/- 2.50   0.001% *  0.0033% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  20.05 +/- 1.69   0.000% *  0.0286% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  19.05 +/- 2.32   0.000% *  0.0084% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  16.26 +/- 1.76   0.000% *  0.0049% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  19.98 +/- 2.78   0.000% *  0.0091% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  22.06 +/- 2.82   0.000% *  0.0096% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  25.57 +/- 2.25   0.000% *  0.0252% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  28.16 +/- 3.20   0.000% *  0.0275% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  27.82 +/- 1.34   0.000% *  0.0323% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  23.79 +/- 1.74   0.000% *  0.0104% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.98 +/- 1.37   0.000% *  0.0092% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  27.68 +/- 1.38   0.000% *  0.0091% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  26.39 +/- 2.33   0.000% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  27.46 +/- 1.56   0.000% *  0.0072% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  23.75 +/- 2.49   0.000% *  0.0018% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1327 (1.56, 1.56, 25.37 ppm):
    3 diagonal assignments:
    *     HG2   LYS+ 106 - HG2   LYS+ 106  (1.00)  kept
          HG2   LYS+  33 - HG2   LYS+  33  (0.46)  kept
          QG    LYS+  81 - QG    LYS+  81  (0.22)  kept
 
    Peak 1328 (1.70, 1.56, 25.37 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.1, residual support = 135.8:
    * O T QD    LYS+ 106 - HG2   LYS+ 106   2.27 +/- 0.11  99.917% * 96.6493% (1.00  10.0 10.00   4.10 135.79) = 100.000%  kept
        T QD    LYS+  99 - HG2   LYS+ 106  12.18 +/- 0.73   0.005% *  0.9643% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  33  13.65 +/- 1.68   0.004% *  0.5849% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+  33  10.44 +/- 1.19   0.015% *  0.0554% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 106  10.10 +/- 1.39   0.025% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 106  12.64 +/- 1.31   0.005% *  0.0807% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+ 106  14.15 +/- 2.49   0.005% *  0.0702% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+ 106  11.63 +/- 1.23   0.007% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+ 106  11.78 +/- 0.94   0.006% *  0.0363% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  33  20.18 +/- 1.36   0.000% *  0.5862% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 106  15.52 +/- 1.30   0.001% *  0.0914% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QG    LYS+  81  19.12 +/- 2.40   0.000% *  0.2127% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 106  14.38 +/- 0.98   0.002% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+  33  14.47 +/- 1.82   0.002% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 106  16.36 +/- 1.69   0.001% *  0.0433% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG    LYS+  81  14.29 +/- 1.23   0.002% *  0.0201% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QG    LYS+  81  15.64 +/- 2.14   0.001% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG    LYS+  81  24.18 +/- 1.35   0.000% *  0.2122% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+  33  16.97 +/- 1.74   0.001% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG    LYS+  81  15.84 +/- 1.81   0.001% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG    LYS+  81  17.63 +/- 2.41   0.001% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+  33  21.39 +/- 2.05   0.000% *  0.0285% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  33  26.41 +/- 1.35   0.000% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  33  25.05 +/- 3.34   0.000% *  0.0263% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QG    LYS+  81  24.02 +/- 2.70   0.000% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  33  25.37 +/- 2.03   0.000% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG    LYS+  81  22.84 +/- 3.48   0.000% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+  33  31.27 +/- 2.79   0.000% *  0.0426% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG    LYS+  81  25.16 +/- 1.51   0.000% *  0.0080% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG    LYS+  81  30.24 +/- 1.84   0.000% *  0.0095% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1329 (2.98, 1.56, 25.37 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 4.51, residual support = 135.8:
    * O T QE    LYS+ 106 - HG2   LYS+ 106   2.87 +/- 0.36  96.930% * 98.7341% (1.00  10.0 10.00   4.51 135.79) =  99.998%  kept
          HB2   PHE   97 - HG2   LYS+ 106   6.16 +/- 1.03   2.601% *  0.0717% (0.73   1.0  1.00   0.02   8.66) =   0.002%
          HB2   ASN   35 - HG2   LYS+  33   7.69 +/- 0.64   0.358% *  0.0081% (0.08   1.0  1.00   0.02   1.29) =   0.000%
          HB3   TRP   27 - HG2   LYS+  33  10.27 +/- 0.72   0.063% *  0.0411% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+ 106  14.51 +/- 1.55   0.010% *  0.0934% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - HG2   LYS+  33  20.28 +/- 1.36   0.001% *  0.5988% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - QG    LYS+  81  19.74 +/- 2.03   0.002% *  0.2172% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QG    LYS+  81  12.53 +/- 2.06   0.022% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+ 106  16.50 +/- 1.51   0.004% *  0.0678% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  33  17.11 +/- 1.83   0.003% *  0.0435% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+  33  19.59 +/- 2.56   0.002% *  0.0566% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QG    LYS+  81  18.60 +/- 2.02   0.002% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  18.93 +/- 1.19   0.002% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QG    LYS+  81  21.83 +/- 1.55   0.001% *  0.0158% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  22.53 +/- 2.09   0.001% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1330 (5.63, 1.70, 30.09 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.8, residual support = 135.8:
    *   T HA    LYS+ 106 - QD    LYS+ 106   3.90 +/- 0.26  99.834% * 99.1942% (0.99 10.00   4.80 135.79) =  99.999%  kept
        T HA    LYS+ 106 - QD    LYS+  99  11.56 +/- 0.50   0.166% *  0.8058% (0.81 10.00   0.02   0.02) =   0.001%
    Distance limit 4.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1331 (1.87, 1.70, 30.09 ppm):
    26 chemical-shift based assignments, quality = 0.991, support = 5.02, residual support = 135.8:
    * O T QB    LYS+ 106 - QD    LYS+ 106   2.32 +/- 0.17  97.856% * 96.5416% (0.99  10.0 10.00   5.02 135.79) =  99.998%  kept
          HB    ILE  103 - QD    LYS+ 106   6.16 +/- 1.22   1.039% *  0.0773% (0.79   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD    LYS+ 106   6.11 +/- 0.52   0.480% *  0.0837% (0.86   1.0  1.00   0.02  21.58) =   0.000%
          HB3   LYS+  38 - QD    LYS+  99   6.44 +/- 1.02   0.489% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QD    LYS+  99  11.14 +/- 0.42   0.009% *  0.7842% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+ 106  12.49 +/- 1.74   0.007% *  0.7378% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  99   8.69 +/- 0.59   0.043% *  0.0680% (0.70   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+  99  19.33 +/- 2.66   0.004% *  0.5993% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  99   9.67 +/- 0.67   0.022% *  0.0628% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  99  11.08 +/- 1.90   0.016% *  0.0599% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+ 106  18.06 +/- 2.79   0.009% *  0.0806% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  99  12.27 +/- 0.93   0.006% *  0.0742% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+ 106  11.43 +/- 1.17   0.008% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+ 106  15.85 +/- 2.05   0.002% *  0.0946% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+ 106  16.94 +/- 2.31   0.005% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  99  14.40 +/- 0.74   0.002% *  0.0322% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+ 106  18.29 +/- 2.35   0.001% *  0.0738% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+ 106  18.88 +/- 2.41   0.000% *  0.0963% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+ 106  18.38 +/- 0.67   0.000% *  0.0913% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+ 106  18.09 +/- 0.94   0.001% *  0.0586% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+ 106  17.50 +/- 1.10   0.001% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  99  24.78 +/- 3.21   0.000% *  0.0655% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  99  20.37 +/- 2.19   0.001% *  0.0121% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  99  24.11 +/- 1.55   0.000% *  0.0782% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  99  25.81 +/- 1.28   0.000% *  0.0769% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  99  22.11 +/- 0.60   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1333 (1.56, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 4.1, residual support = 135.8:
    * O T HG2   LYS+ 106 - QD    LYS+ 106   2.27 +/- 0.11  99.954% * 96.1045% (0.99  10.0 10.00   4.10 135.79) = 100.000%  kept
        T HG2   LYS+ 106 - QD    LYS+  99  12.18 +/- 0.73   0.005% *  0.7807% (0.81   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  99  13.65 +/- 1.68   0.004% *  0.5966% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 106  10.33 +/- 2.81   0.035% *  0.0148% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+ 106  19.12 +/- 2.40   0.000% *  0.9525% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+ 106  20.18 +/- 1.36   0.000% *  0.7345% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+  99  24.18 +/- 1.35   0.000% *  0.7738% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+ 106  15.88 +/- 1.38   0.001% *  0.0168% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  99  18.78 +/- 1.33   0.000% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  99  20.06 +/- 1.71   0.000% *  0.0120% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1334 (1.70, 1.70, 30.09 ppm):
    2 diagonal assignments:
    *     QD    LYS+ 106 - QD    LYS+ 106  (1.00)  kept
          QD    LYS+  99 - QD    LYS+  99  (0.80)  kept
 
    Peak 1335 (2.98, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.38, residual support = 135.8:
    * O T QE    LYS+ 106 - QD    LYS+ 106   2.08 +/- 0.03  99.781% * 98.7514% (0.99  10.0 10.00   3.38 135.79) = 100.000%  kept
          HB2   PHE   97 - QD    LYS+ 106   6.48 +/- 0.83   0.158% *  0.0717% (0.72   1.0  1.00   0.02   8.66) =   0.000%
        T QE    LYS+ 106 - QD    LYS+  99  11.30 +/- 1.24   0.005% *  0.8022% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+  99   7.69 +/- 0.61   0.046% *  0.0583% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+ 106  13.40 +/- 1.40   0.002% *  0.0934% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+  99  16.28 +/- 2.31   0.002% *  0.0759% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  99  11.44 +/- 0.86   0.004% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  15.98 +/- 1.30   0.001% *  0.0678% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  16.17 +/- 1.34   0.001% *  0.0551% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 106  18.20 +/- 1.40   0.000% *  0.0134% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1336 (5.63, 2.98, 42.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.23, residual support = 135.8:
    *   T HA    LYS+ 106 - QE    LYS+ 106   4.26 +/- 0.34 100.000% *100.0000% (1.00 10.00   5.23 135.79) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1337 (1.87, 2.98, 42.19 ppm):
    13 chemical-shift based assignments, quality = 0.989, support = 5.32, residual support = 126.1:
    *   T QB    LYS+ 106 - QE    LYS+ 106   2.95 +/- 0.70  87.344% * 53.3343% (1.00 10.00   5.45 135.79) =  91.539%  kept
        T HB3   ASP- 105 - QE    LYS+ 106   5.71 +/- 1.36   9.304% * 46.2637% (0.87 10.00   3.89  21.58) =   8.458%  kept
          HB    ILE  103 - QE    LYS+ 106   6.20 +/- 0.99   3.274% *  0.0427% (0.80  1.00   0.02   0.02) =   0.003%
          HB    ILE   56 - QE    LYS+ 106  12.99 +/- 1.31   0.024% *  0.0408% (0.76  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+ 106  12.08 +/- 1.50   0.024% *  0.0148% (0.28  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+ 106  18.03 +/- 2.92   0.007% *  0.0408% (0.76  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+ 106  16.59 +/- 2.08   0.004% *  0.0523% (0.98  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QE    LYS+ 106  18.47 +/- 0.86   0.002% *  0.0505% (0.95  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+ 106  18.59 +/- 2.66   0.003% *  0.0445% (0.84  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+ 106  17.85 +/- 1.23   0.004% *  0.0323% (0.61  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+ 106  19.49 +/- 1.99   0.002% *  0.0532% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+ 106  17.73 +/- 1.10   0.003% *  0.0219% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - QE    LYS+ 106  17.11 +/- 2.24   0.005% *  0.0082% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1339 (1.56, 2.98, 42.19 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.51, residual support = 135.8:
    * O T HG2   LYS+ 106 - QE    LYS+ 106   2.87 +/- 0.36  99.863% * 98.2431% (1.00  10.0 10.00   4.51 135.79) = 100.000%  kept
          HB3   LYS+ 111 - QE    LYS+ 106  10.46 +/- 2.75   0.129% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QE    LYS+ 106  19.74 +/- 2.03   0.002% *  0.9737% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QE    LYS+ 106  20.28 +/- 1.36   0.001% *  0.7508% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+ 106  16.34 +/- 1.74   0.005% *  0.0172% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1340 (1.70, 2.98, 42.19 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.38, residual support = 135.8:
    * O T QD    LYS+ 106 - QE    LYS+ 106   2.08 +/- 0.03  99.936% * 98.5861% (0.99  10.0 10.00   3.38 135.79) = 100.000%  kept
        T QD    LYS+  99 - QE    LYS+ 106  11.30 +/- 1.24   0.005% *  0.9925% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QE    LYS+ 106  11.81 +/- 2.70   0.012% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QE    LYS+ 106   9.41 +/- 1.62   0.026% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 106  10.63 +/- 1.34   0.008% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 106  11.80 +/- 1.54   0.005% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 106  11.17 +/- 1.28   0.006% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 106  15.37 +/- 1.24   0.001% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 106  13.40 +/- 1.18   0.002% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 106  14.08 +/- 1.74   0.001% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 57.9:
    * O T HB    VAL  107 - HA    VAL  107   2.91 +/- 0.17  99.791% * 99.6302% (0.73  10.0 10.00   3.31  57.91) = 100.000%  kept
          QE    LYS+ 112 - HA    VAL  107  10.30 +/- 0.99   0.060% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    VAL  107   9.23 +/- 0.89   0.118% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    VAL  107  11.64 +/- 0.92   0.028% *  0.0423% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    VAL  107  20.86 +/- 2.37   0.002% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    VAL  107  23.46 +/- 0.95   0.000% *  0.1345% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    VAL  107  19.47 +/- 0.99   0.001% *  0.0272% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1344 (4.48, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.31, residual support = 57.9:
    * O T HA    VAL  107 - HB    VAL  107   2.91 +/- 0.17  99.325% * 99.7511% (0.73  10.0 10.00   3.31  57.91) = 100.000%  kept
          HA    ALA  110 - HB    VAL  107   7.58 +/- 1.71   0.644% *  0.0308% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - HB    VAL  107  13.93 +/- 0.69   0.009% *  0.0963% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HB    VAL  107  13.18 +/- 1.55   0.016% *  0.0197% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB    VAL  107  18.22 +/- 0.93   0.002% *  0.0799% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL  107  16.46 +/- 0.86   0.003% *  0.0222% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1345 (2.40, 2.40, 36.05 ppm):
    1 diagonal assignment:
    *     HB    VAL  107 - HB    VAL  107  (0.53)  kept
 
    Peak 1346 (4.56, 4.56, 62.51 ppm):
    1 diagonal assignment:
    *     HA    VAL  108 - HA    VAL  108  (1.00)  kept
 
    Peak 1347 (2.05, 4.56, 62.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 62.1:
    * O T HB    VAL  108 - HA    VAL  108   2.62 +/- 0.37  99.474% * 99.4465% (1.00  10.0 10.00   3.30  62.12) = 100.000%  kept
          HB2   PRO   93 - HA    VAL  108   7.63 +/- 1.93   0.506% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    VAL  108  12.27 +/- 0.80   0.012% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    VAL  108  14.57 +/- 1.65   0.007% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    VAL  108  20.67 +/- 1.38   0.001% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    VAL  108  22.80 +/- 0.51   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    VAL  108  22.58 +/- 1.77   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    VAL  108  22.47 +/- 1.64   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    VAL  108  35.58 +/- 2.74   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.64 +/- 0.05  99.978% * 99.8607% (1.00  10.0 10.00   3.97  62.12) = 100.000%  kept
          HB3   LEU   63 - HA    VAL  108  13.57 +/- 1.65   0.007% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - HA    VAL  108  13.07 +/- 1.04   0.008% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    VAL  108  13.95 +/- 1.18   0.005% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HA    VAL  108  16.01 +/- 1.97   0.003% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.65 +/- 0.48  99.876% * 99.7938% (1.00  10.0 10.00   3.30  62.12) = 100.000%  kept
          QD1   ILE  119 - HA    VAL  108   9.90 +/- 0.69   0.068% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    VAL  108  10.91 +/- 1.32   0.048% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL  108  13.45 +/- 0.34   0.008% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1350 (4.56, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 62.1:
    * O T HA    VAL  108 - HB    VAL  108   2.62 +/- 0.37  98.170% * 99.8175% (1.00  10.0 10.00   3.30  62.12) =  99.999%  kept
          HA1   GLY  109 - HB    VAL  108   5.52 +/- 0.32   1.791% *  0.0308% (0.31   1.0  1.00   0.02   7.61) =   0.001%
          HA    ALA   47 - HB    VAL  108  14.25 +/- 3.19   0.022% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL  108  14.43 +/- 3.03   0.013% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL  108  17.87 +/- 3.19   0.003% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1351 (2.05, 2.05, 32.95 ppm):
    1 diagonal assignment:
    *     HB    VAL  108 - HB    VAL  108  (1.00)  kept
 
    Peak 1352 (0.89, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 62.1:
    * O T QG1   VAL  108 - HB    VAL  108   2.13 +/- 0.01  99.995% * 99.8607% (1.00  10.0 10.00   3.44  62.12) = 100.000%  kept
          QD1   LEU   40 - HB    VAL  108  13.16 +/- 1.09   0.002% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB    VAL  108  14.75 +/- 1.66   0.001% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL  108  15.14 +/- 1.29   0.001% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB    VAL  108  16.64 +/- 2.04   0.001% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1353 (1.03, 2.05, 32.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 62.1:
    * O T QG2   VAL  108 - HB    VAL  108   2.14 +/- 0.01  99.990% * 99.1471% (1.00  10.0 10.00   3.00  62.12) = 100.000%  kept
        T QD1   ILE  119 - HB    VAL  108  11.21 +/- 0.68   0.005% *  0.7200% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    VAL  108  12.77 +/- 0.29   0.002% *  0.0957% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL  108  12.79 +/- 1.41   0.003% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1354 (4.56, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.992, support = 3.96, residual support = 61.5:
    * O T HA    VAL  108 - QG1   VAL  108   2.64 +/- 0.05  80.606% * 95.2093% (1.00  10.0 10.00   3.97  62.12) =  98.850%  kept
          HA1   GLY  109 - QG1   VAL  108   3.41 +/- 0.30  19.219% *  4.6460% (0.31   1.0  1.00   3.16   7.61) =   1.150%  kept
          HA    ALA   47 - QG1   VAL  108  11.59 +/- 2.84   0.093% *  0.0933% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL  108  11.49 +/- 2.79   0.061% *  0.0325% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL  108  14.27 +/- 2.99   0.020% *  0.0188% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1355 (2.05, 0.89, 21.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 62.1:
    * O T HB    VAL  108 - QG1   VAL  108   2.13 +/- 0.01  99.929% * 99.4465% (1.00  10.0 10.00   3.44  62.12) = 100.000%  kept
          HB2   PRO   93 - QG1   VAL  108   8.21 +/- 1.68   0.066% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QG1   VAL  108  12.35 +/- 0.76   0.003% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG1   VAL  108  13.80 +/- 1.68   0.002% *  0.0986% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG1   VAL  108  18.70 +/- 1.32   0.000% *  0.0918% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG1   VAL  108  19.86 +/- 0.58   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG1   VAL  108  20.36 +/- 1.65   0.000% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG1   VAL  108  21.10 +/- 1.39   0.000% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  108  31.75 +/- 2.46   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1356 (0.89, 0.89, 21.81 ppm):
    1 diagonal assignment:
    *     QG1   VAL  108 - QG1   VAL  108  (1.00)  kept
 
    Peak 1357 (1.03, 0.89, 21.81 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 62.1:
    * O T QG2   VAL  108 - QG1   VAL  108   2.09 +/- 0.04  99.983% * 99.7938% (1.00  10.0 10.00   3.44  62.12) = 100.000%  kept
          QD1   ILE  119 - QG1   VAL  108  10.27 +/- 0.50   0.008% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL  108  10.75 +/- 1.14   0.008% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL  108  12.43 +/- 0.21   0.002% *  0.0963% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.65 +/- 0.48  95.340% * 99.8175% (1.00  10.0 10.00   3.30  62.12) =  99.998%  kept
          HA1   GLY  109 - QG2   VAL  108   5.14 +/- 0.36   3.641% *  0.0308% (0.31   1.0  1.00   0.02   7.61) =   0.001%
          HA    CYS   50 - QG2   VAL  108  12.18 +/- 2.80   0.726% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   47 - QG2   VAL  108  11.88 +/- 2.92   0.184% *  0.0978% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - QG2   VAL  108  15.02 +/- 3.18   0.109% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1359 (2.05, 1.03, 20.80 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 62.1:
    * O T HB    VAL  108 - QG2   VAL  108   2.14 +/- 0.01  99.938% * 98.6316% (1.00  10.0 10.00   3.00  62.12) = 100.000%  kept
        T HB    ILE  119 - QG2   VAL  108  11.15 +/- 0.83   0.006% *  0.9105% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG2   VAL  108   8.22 +/- 1.61   0.053% *  0.0790% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   VAL  108  14.20 +/- 1.86   0.002% *  0.0978% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  108  16.93 +/- 1.58   0.000% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  108  17.62 +/- 0.57   0.000% *  0.0856% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  108  18.63 +/- 1.72   0.000% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  108  19.16 +/- 1.42   0.000% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG2   VAL  108  30.04 +/- 2.52   0.000% *  0.0133% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1360 (0.89, 1.03, 20.80 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 62.1:
    * O T QG1   VAL  108 - QG2   VAL  108   2.09 +/- 0.04  99.985% * 99.8607% (1.00  10.0 10.00   3.44  62.12) = 100.000%  kept
          QD1   LEU   40 - QG2   VAL  108  10.56 +/- 0.94   0.007% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL  108  12.03 +/- 1.37   0.003% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL  108  12.44 +/- 1.13   0.003% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - QG2   VAL  108  13.57 +/- 1.85   0.002% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1361 (1.03, 1.03, 20.80 ppm):
    1 diagonal assignment:
    *     QG2   VAL  108 - QG2   VAL  108  (1.00)  kept
 
    Peak 1362 (4.58, 4.58, 43.34 ppm):
    1 diagonal assignment:
    *     HA1   GLY  109 - HA1   GLY  109  (1.00)  kept
 
    Peak 1363 (3.67, 4.58, 43.34 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 9.21:
    * O T HA2   GLY  109 - HA1   GLY  109   1.75 +/- 0.00  99.998% * 98.9563% (1.00  10.0 10.00   2.00   9.21) = 100.000%  kept
        T HB2   TRP   49 - HA1   GLY  109  16.19 +/- 3.58   0.001% *  0.7924% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR  118 - HA1   GLY  109  12.32 +/- 1.05   0.001% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HA1   GLY  109  14.02 +/- 0.84   0.000% *  0.0719% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HA1   GLY  109  16.89 +/- 2.34   0.000% *  0.0936% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1364 (4.58, 3.67, 43.34 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 9.21:
    * O T HA1   GLY  109 - HA2   GLY  109   1.75 +/- 0.00  99.600% * 97.8789% (1.00  10.0 10.00   2.00   9.21) = 100.000%  kept
        T HA    CYS   50 - HA2   GLY  109  12.47 +/- 3.76   0.017% *  0.9766% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL  108 - HA2   GLY  109   4.43 +/- 0.04   0.380% *  0.0302% (0.31   1.0  1.00   0.02   7.61) =   0.000%
        T HA    TRP   49 - HA2   GLY  109  16.01 +/- 3.79   0.001% *  0.9446% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   47 - HA2   GLY  109  14.10 +/- 3.41   0.002% *  0.0402% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HA2   GLY  109  21.25 +/- 0.57   0.000% *  0.0476% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - HA2   GLY  109  24.80 +/- 1.69   0.000% *  0.0818% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1365 (3.67, 3.67, 43.34 ppm):
    1 diagonal assignment:
    *     HA2   GLY  109 - HA2   GLY  109  (1.00)  kept
 
    Peak 1366 (4.46, 4.46, 51.13 ppm):
    1 diagonal assignment:
    *     HA    ALA  110 - HA    ALA  110  (1.00)  kept
 
    Peak 1367 (1.42, 4.46, 51.13 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.59:
    * O T QB    ALA  110 - HA    ALA  110   2.13 +/- 0.01  99.992% * 98.4934% (1.00  10.0 10.00   1.31   9.59) = 100.000%  kept
        T QB    ALA   61 - HA    ALA  110  12.46 +/- 2.70   0.004% *  0.9092% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA  110  15.18 +/- 2.11   0.001% *  0.0518% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ALA  110  16.16 +/- 2.51   0.001% *  0.0597% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA  110  17.65 +/- 3.28   0.001% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA  110  20.07 +/- 3.16   0.000% *  0.0677% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA  110  20.98 +/- 2.88   0.000% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA  110  20.49 +/- 3.04   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA  110  19.25 +/- 2.54   0.000% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA  110  17.54 +/- 1.44   0.000% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA  110  23.33 +/- 3.14   0.000% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA  110  23.48 +/- 1.83   0.000% *  0.0304% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1368 (4.46, 1.42, 18.06 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.59:
    * O T HA    ALA  110 - QB    ALA  110   2.13 +/- 0.01  99.622% * 98.8162% (1.00  10.0 10.00   1.31   9.59) = 100.000%  kept
          HA    PHE   55 - QB    ALA  110   8.10 +/- 3.67   0.223% *  0.0857% (0.87   1.0  1.00   0.02   0.16) =   0.000%
        T HA    ALA  110 - QB    ALA   61  12.46 +/- 2.70   0.004% *  0.7312% (0.74   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   55 - QB    ALA   61   8.83 +/- 1.59   0.039% *  0.0634% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA  110   7.70 +/- 0.74   0.062% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA  110   8.83 +/- 1.91   0.033% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA  110  11.68 +/- 2.10   0.005% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA   61  11.81 +/- 1.22   0.007% *  0.0203% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   61  12.80 +/- 1.09   0.003% *  0.0226% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   61  17.56 +/- 2.33   0.001% *  0.0717% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA  110  14.69 +/- 1.32   0.001% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA   61  16.56 +/- 1.81   0.001% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1369 (1.42, 1.42, 18.06 ppm):
    2 diagonal assignments:
    *     QB    ALA  110 - QB    ALA  110  (1.00)  kept
          QB    ALA   61 - QB    ALA   61  (0.68)  kept
 
    Peak 1370 (4.53, 4.53, 54.74 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 111 - HA    LYS+ 111  (1.00)  kept
 
    Peak 1371 (2.02, 4.53, 54.74 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.98, residual support = 315.4:
    * O T HB2   LYS+ 111 - HA    LYS+ 111   2.69 +/- 0.23  95.350% * 98.9314% (1.00  10.0 10.00   7.98 315.37) =  99.997%  kept
          QB    GLU- 114 - HA    LYS+ 111   4.74 +/- 0.71   4.629% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HB    ILE  119 - HA    LYS+ 111  11.46 +/- 0.73   0.019% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    LYS+ 111  27.90 +/- 2.28   0.000% *  0.4816% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 111  23.44 +/- 2.47   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+ 111  24.26 +/- 1.91   0.000% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 111  24.68 +/- 1.48   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 111  23.50 +/- 2.82   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 111  23.83 +/- 1.94   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 111  30.07 +/- 2.37   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+ 111  26.28 +/- 1.87   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LYS+ 111  28.21 +/- 1.34   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1372 (1.33, 4.53, 54.74 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.4:
    * O T HG2   LYS+ 111 - HA    LYS+ 111   3.43 +/- 0.43  95.389% * 99.2615% (1.00  10.0 10.00   7.31 315.37) =  99.998%  kept
          HB3   PRO   93 - HA    LYS+ 111   9.42 +/- 2.29   4.353% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    LYS+ 111  14.62 +/- 2.42   0.052% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+ 111  13.84 +/- 2.45   0.161% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+ 111  14.77 +/- 1.33   0.022% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+ 111  16.75 +/- 1.22   0.008% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 111  17.81 +/- 1.59   0.006% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 111  19.54 +/- 0.71   0.003% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+ 111  23.17 +/- 2.59   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 111  20.60 +/- 1.71   0.002% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LYS+ 111  24.89 +/- 0.97   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+ 111  27.47 +/- 1.56   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LYS+ 111  31.09 +/- 1.26   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1373 (1.22, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.4:
    * O T HG3   LYS+ 111 - HA    LYS+ 111   2.60 +/- 0.55  97.568% * 99.3524% (1.00  10.0 10.00   7.31 315.37) =  99.999%  kept
          HD2   LYS+ 112 - HA    LYS+ 111   6.24 +/- 1.43   2.406% *  0.0373% (0.38   1.0  1.00   0.02  28.11) =   0.001%
        T HG2   LYS+  74 - HA    LYS+ 111  17.97 +/- 2.67   0.019% *  0.3729% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 111  17.49 +/- 2.94   0.006% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 111  23.84 +/- 1.96   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+ 111  25.01 +/- 1.70   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+ 111  24.69 +/- 1.35   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+ 111  25.44 +/- 2.13   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1374 (1.69, 4.53, 54.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.4:
    *   T HD2   LYS+ 111 - HA    LYS+ 111   2.98 +/- 0.56  98.658% * 98.3525% (1.00 10.00   6.21 315.37) =  99.999%  kept
          HG3   PRO   93 - HA    LYS+ 111   9.08 +/- 2.34   0.905% *  0.0853% (0.87  1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HA    LYS+ 111   9.01 +/- 1.86   0.299% *  0.0964% (0.98  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LYS+ 111  11.66 +/- 1.55   0.126% *  0.0714% (0.73  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 111  21.83 +/- 2.00   0.002% *  0.6756% (0.69 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 111  18.52 +/- 2.06   0.003% *  0.1518% (0.15 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 111  17.51 +/- 0.75   0.004% *  0.0882% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 111  21.61 +/- 2.18   0.001% *  0.0882% (0.90  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    LYS+ 111  21.35 +/- 0.88   0.001% *  0.0676% (0.69  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 111  27.38 +/- 1.14   0.000% *  0.3036% (0.31 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  22.16 +/- 2.16   0.001% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1375 (1.64, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.4:
    *   T HD3   LYS+ 111 - HA    LYS+ 111   3.93 +/- 0.59  99.388% * 98.5544% (1.00 10.00   6.21 315.37) =  99.999%  kept
          QB    ALA   57 - HA    LYS+ 111  10.85 +/- 1.58   0.475% *  0.0983% (1.00  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 111  18.52 +/- 2.06   0.018% *  0.2457% (0.25 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 111  17.85 +/- 2.35   0.038% *  0.0823% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 111  14.19 +/- 1.17   0.065% *  0.0274% (0.28  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HA    LYS+ 111  27.63 +/- 1.76   0.001% *  0.8839% (0.90 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+ 111  18.75 +/- 0.74   0.011% *  0.0884% (0.90  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  22.16 +/- 2.16   0.005% *  0.0195% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1376 (3.06, 4.53, 54.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.4:
    *   T QE    LYS+ 111 - HA    LYS+ 111   3.05 +/- 0.48  99.984% * 99.8490% (1.00 10.00   5.62 315.37) = 100.000%  kept
          HB2   PHE   45 - HA    LYS+ 111  14.62 +/- 1.34   0.016% *  0.0945% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HA    LYS+ 111  24.42 +/- 2.34   0.001% *  0.0565% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1377 (4.53, 2.02, 33.52 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.98, residual support = 315.4:
    * O T HA    LYS+ 111 - HB2   LYS+ 111   2.69 +/- 0.23  99.955% * 99.7221% (1.00  10.0 10.00   7.98 315.37) = 100.000%  kept
          HA    PRO   52 - HB2   LYS+ 111  12.22 +/- 3.08   0.044% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG3   GLN   30  27.90 +/- 2.28   0.000% *  0.2004% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG3   GLN   30  26.98 +/- 1.80   0.000% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1378 (2.02, 2.02, 33.52 ppm):
    2 diagonal assignments:
    *     HB2   LYS+ 111 - HB2   LYS+ 111  (1.00)  kept
          HG3   GLN   30 - HG3   GLN   30  (0.10)  kept
 
    Peak 1379 (1.33, 2.02, 33.52 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.4:
    * O T HG2   LYS+ 111 - HB2   LYS+ 111   2.71 +/- 0.15  99.022% * 98.9173% (1.00  10.0 10.00   7.31 315.37) = 100.000%  kept
          HB2   LEU   31 - HG3   GLN   30   7.14 +/- 0.76   0.604% *  0.0197% (0.20   1.0  1.00   0.02  50.79) =   0.000%
          HB3   PRO   93 - HB2   LYS+ 111  10.43 +/- 2.37   0.295% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+ 111  15.08 +/- 2.50   0.009% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+ 111  14.73 +/- 1.72   0.005% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+ 111  14.68 +/- 2.52   0.013% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   GLN   30  14.17 +/- 2.04   0.007% *  0.0184% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   GLN   30  14.13 +/- 1.46   0.007% *  0.0144% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   GLN   30  13.13 +/- 1.61   0.011% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+ 111  17.17 +/- 1.84   0.002% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   GLN   30  14.25 +/- 0.86   0.005% *  0.0159% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+ 111  18.62 +/- 1.18   0.001% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   GLN   30  15.85 +/- 1.28   0.003% *  0.0178% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+ 111  18.51 +/- 2.07   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+ 111  19.88 +/- 2.29   0.001% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   GLN   30  17.29 +/- 1.57   0.002% *  0.0166% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+ 111  23.83 +/- 2.88   0.000% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   LYS+ 111  23.87 +/- 1.90   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   GLN   30  15.96 +/- 1.03   0.003% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   GLN   30  28.74 +/- 2.49   0.000% *  0.1988% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLN   30  15.04 +/- 1.33   0.004% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+ 111  27.19 +/- 2.27   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLN   30  19.27 +/- 1.46   0.001% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   GLN   30  21.54 +/- 3.48   0.001% *  0.0113% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   GLN   30  20.14 +/- 1.95   0.001% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   LYS+ 111  30.27 +/- 2.14   0.000% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1380 (1.22, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 7.29, residual support = 315.4:
    * O T HG3   LYS+ 111 - HB2   LYS+ 111   2.92 +/- 0.22  96.684% * 98.4912% (1.00  10.0 10.00   7.29 315.37) =  99.999%  kept
          HD2   LYS+ 112 - HB2   LYS+ 111   7.64 +/- 1.32   0.816% *  0.0370% (0.38   1.0  1.00   0.02  28.11) =   0.000%
          HB3   LEU   71 - HG3   GLN   30   7.60 +/- 2.02   1.061% *  0.0089% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG3   GLN   30   7.50 +/- 2.11   0.948% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HB2   LYS+ 111  18.68 +/- 2.86   0.010% *  0.3696% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG3   GLN   30   7.77 +/- 1.47   0.450% *  0.0039% (0.04   1.0  1.00   0.02  14.09) =   0.000%
        T HG2   LYS+  74 - HG3   GLN   30  12.96 +/- 1.11   0.016% *  0.0743% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 111  18.06 +/- 3.40   0.004% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   71 - HB2   LYS+ 111  24.70 +/- 2.36   0.000% *  0.4049% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HB2   LYS+ 111  25.61 +/- 2.27   0.000% *  0.1949% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   GLN   30  19.24 +/- 2.85   0.002% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   GLN   30  15.73 +/- 1.44   0.005% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   GLN   30  28.72 +/- 2.59   0.000% *  0.1980% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 111  23.57 +/- 2.39   0.001% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+ 111  23.71 +/- 2.31   0.000% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG3   GLN   30  28.02 +/- 3.45   0.000% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1381 (1.69, 2.02, 33.52 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 315.4:
    * O T HD2   LYS+ 111 - HB2   LYS+ 111   2.50 +/- 0.47  98.884% * 97.6852% (1.00  10.0 10.00   6.62 315.37) = 100.000%  kept
          HG3   PRO   93 - HB2   LYS+ 111  10.42 +/- 2.48   0.239% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   GLN   30   6.94 +/- 1.22   0.691% *  0.0176% (0.18   1.0  1.00   0.02   5.24) =   0.000%
          HB3   MET   92 - HB2   LYS+ 111  10.03 +/- 1.84   0.079% *  0.0958% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB2   LYS+ 111  10.66 +/- 2.56   0.082% *  0.0709% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB2   LYS+ 111  20.74 +/- 2.44   0.001% *  0.6710% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   GLN   30  14.51 +/- 0.89   0.005% *  0.0606% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   GLN   30  18.11 +/- 1.79   0.002% *  0.1349% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+ 111  16.46 +/- 1.28   0.002% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  18.77 +/- 2.12   0.001% *  0.1507% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG3   GLN   30  22.17 +/- 2.01   0.000% *  0.1703% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   GLN   30  15.50 +/- 0.99   0.004% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  17.87 +/- 2.27   0.002% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB2   LYS+ 111  20.38 +/- 1.62   0.001% *  0.0671% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+ 111  26.54 +/- 1.97   0.000% *  0.3015% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+ 111  21.78 +/- 2.39   0.000% *  0.0876% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  14.12 +/- 1.52   0.006% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   GLN   30  19.35 +/- 1.32   0.001% *  0.0143% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   GLN   30  29.19 +/- 2.97   0.000% *  0.1963% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  22.72 +/- 2.73   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   GLN   30  23.39 +/- 1.23   0.000% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   GLN   30  25.30 +/- 2.70   0.000% *  0.0176% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1382 (1.64, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 0.986, support = 6.51, residual support = 309.8:
    * O T HD3   LYS+ 111 - HB2   LYS+ 111   3.23 +/- 0.44  78.939% * 92.1301% (1.00  10.0 10.00   6.62 315.37) =  98.239%  kept
        T QD    LYS+  33 - HG3   GLN   30   4.83 +/- 1.12  20.936% *  6.2279% (0.18   1.0 10.00   0.75   0.17) =   1.761%  kept
          QB    ALA   57 - HB2   LYS+ 111  11.99 +/- 1.28   0.038% *  0.0919% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB2   LYS+ 111  12.98 +/- 2.17   0.027% *  0.0256% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  18.77 +/- 2.12   0.003% *  0.2297% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   LYS+ 111  18.49 +/- 2.58   0.006% *  0.0770% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   GLN   30  12.70 +/- 1.23   0.025% *  0.0155% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+ 111  17.74 +/- 1.23   0.003% *  0.0826% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  17.87 +/- 2.27   0.004% *  0.0462% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LYS+ 111  27.44 +/- 2.15   0.000% *  0.8263% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  14.12 +/- 1.52   0.014% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   GLN   30  18.65 +/- 1.70   0.003% *  0.0185% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   GLN   30  29.83 +/- 2.83   0.000% *  0.1852% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  22.72 +/- 2.73   0.001% *  0.0182% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   GLN   30  25.74 +/- 3.08   0.000% *  0.0166% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   GLN   30  22.76 +/- 2.31   0.001% *  0.0051% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1383 (3.06, 2.02, 33.52 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.06, residual support = 315.4:
    *   T QE    LYS+ 111 - HB2   LYS+ 111   3.38 +/- 0.71  92.294% * 99.6189% (1.00 10.00   6.06 315.37) =  99.999%  kept
          HB2   CYS   21 - HG3   GLN   30   6.18 +/- 1.47   7.676% *  0.0113% (0.11  1.00   0.02   0.02) =   0.001%
          HB2   PHE   45 - HB2   LYS+ 111  15.25 +/- 1.72   0.018% *  0.0942% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   GLN   30  16.51 +/- 1.23   0.010% *  0.0189% (0.19  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG3   GLN   30  26.70 +/- 2.30   0.001% *  0.2002% (0.20 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB2   LYS+ 111  24.77 +/- 2.72   0.001% *  0.0564% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 4.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1384 (4.53, 1.33, 24.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.4:
    * O T HA    LYS+ 111 - HG2   LYS+ 111   3.43 +/- 0.43  99.780% * 99.9354% (1.00  10.0 10.00   7.31 315.37) = 100.000%  kept
          HA    PRO   52 - HG2   LYS+ 111  12.47 +/- 3.52   0.220% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1385 (2.02, 1.33, 24.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.3:
    * O T HB2   LYS+ 111 - HG2   LYS+ 111   2.71 +/- 0.15  77.551% * 98.9314% (1.00  10.0 10.00   7.31 315.37) =  99.984%  kept
          QB    GLU- 114 - HG2   LYS+ 111   4.30 +/- 1.74  22.441% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.016%
          HB    ILE  119 - HG2   LYS+ 111  12.67 +/- 1.13   0.007% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   LYS+ 111  28.74 +/- 2.49   0.000% *  0.4816% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+ 111  25.29 +/- 2.30   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+ 111  26.05 +/- 1.52   0.000% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+ 111  25.55 +/- 2.35   0.000% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   LYS+ 111  25.16 +/- 2.05   0.000% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+ 111  24.69 +/- 3.19   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+ 111  30.77 +/- 2.84   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+ 111  28.08 +/- 2.72   0.000% *  0.0275% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+ 111  27.02 +/- 2.17   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1386 (1.33, 1.33, 24.92 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 111 - HG2   LYS+ 111  (1.00)  kept
 
    Peak 1387 (1.22, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 315.4:
    * O T HG3   LYS+ 111 - HG2   LYS+ 111   1.75 +/- 0.00  99.988% * 98.1828% (1.00  10.0 10.00   6.98 315.37) = 100.000%  kept
          HD2   LYS+ 112 - HG2   LYS+ 111   8.97 +/- 1.57   0.012% *  0.0368% (0.38   1.0  1.00   0.02  28.11) =   0.000%
        T HG12  ILE   89 - HG2   LYS+ 111  17.67 +/- 3.44   0.000% *  0.9731% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+ 111  19.49 +/- 2.56   0.000% *  0.3685% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+ 111  24.79 +/- 2.58   0.000% *  0.3349% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 111  24.73 +/- 2.44   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+ 111  25.90 +/- 2.39   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+ 111  26.84 +/- 2.11   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1388 (1.69, 1.33, 24.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.4:
    * O T HD2   LYS+ 111 - HG2   LYS+ 111   2.95 +/- 0.09  99.527% * 97.1375% (1.00  10.0 10.00   6.21 315.37) =  99.999%  kept
        T QD    LYS+ 106 - HG2   LYS+ 111  10.92 +/- 2.88   0.118% *  0.7054% (0.73   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - HG2   LYS+ 111  10.81 +/- 2.05   0.190% *  0.0843% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 111   9.72 +/- 1.97   0.159% *  0.0952% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+ 111  21.21 +/- 2.89   0.001% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+ 111  21.40 +/- 1.90   0.001% *  0.6672% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 111  18.25 +/- 1.35   0.002% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  20.33 +/- 1.86   0.001% *  0.1499% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 111  22.60 +/- 2.23   0.001% *  0.0871% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+ 111  27.48 +/- 2.34   0.000% *  0.2998% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  22.78 +/- 2.52   0.001% *  0.0192% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1389 (1.64, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.4:
    * O T HD3   LYS+ 111 - HG2   LYS+ 111   2.36 +/- 0.14  99.991% * 97.8296% (1.00  10.0 10.00   6.21 315.37) = 100.000%  kept
        T HD2   LYS+  74 - HG2   LYS+ 111  19.40 +/- 2.22   0.001% *  0.8171% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+ 111  13.03 +/- 1.06   0.004% *  0.0976% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 111  14.38 +/- 2.39   0.003% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  20.33 +/- 1.86   0.000% *  0.2439% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+ 111  28.32 +/- 1.96   0.000% *  0.8774% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+ 111  19.56 +/- 1.21   0.000% *  0.0877% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  22.78 +/- 2.52   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1390 (3.06, 1.33, 24.92 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.4:
    * O T QE    LYS+ 111 - HG2   LYS+ 111   2.87 +/- 0.37  99.994% * 99.8490% (1.00  10.0 10.00   5.62 315.37) = 100.000%  kept
          HB2   PHE   45 - HG2   LYS+ 111  15.50 +/- 1.71   0.005% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG2   LYS+ 111  25.48 +/- 2.88   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1391 (4.53, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 315.4:
    * O T HA    LYS+ 111 - HG3   LYS+ 111   2.60 +/- 0.55  99.895% * 99.8218% (1.00  10.0 10.00   7.31 315.37) = 100.000%  kept
          HA    PRO   52 - HG3   LYS+ 111  11.41 +/- 3.69   0.080% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG2   LYS+  74  17.97 +/- 2.67   0.019% *  0.1067% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - HG2   LYS+  74  15.21 +/- 2.23   0.006% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1392 (2.02, 1.22, 24.92 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 7.29, residual support = 315.4:
    * O T HB2   LYS+ 111 - HG3   LYS+ 111   2.92 +/- 0.22  89.053% * 98.2440% (1.00  10.0 10.00   7.29 315.37) =  99.993%  kept
          QB    GLU- 114 - HG3   LYS+ 111   4.82 +/- 1.28  10.664% *  0.0556% (0.57   1.0  1.00   0.02   0.02) =   0.007%
        T HB    ILE   19 - HG2   LYS+  74   8.78 +/- 0.97   0.143% *  0.0511% (0.05   1.0 10.00   0.02   8.02) =   0.000%
        T HB2   LYS+ 111 - HG2   LYS+  74  18.68 +/- 2.86   0.010% *  0.1050% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   LYS+  74  12.96 +/- 1.11   0.014% *  0.0511% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+  74  10.41 +/- 1.05   0.055% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   LYS+ 111  12.72 +/- 0.97   0.016% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG3   LYS+ 111  24.97 +/- 2.09   0.000% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+  74  14.40 +/- 1.02   0.007% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   LYS+ 111  28.72 +/- 2.59   0.000% *  0.4782% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+  74  14.50 +/- 0.83   0.007% *  0.0094% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+  74  12.11 +/- 0.76   0.019% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   LYS+ 111  24.88 +/- 2.30   0.000% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   LYS+  74  16.35 +/- 1.92   0.005% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   LYS+ 111  25.54 +/- 2.23   0.000% *  0.0852% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   LYS+ 111  25.91 +/- 1.63   0.000% *  0.0974% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+  74  17.96 +/- 1.90   0.002% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   LYS+ 111  24.73 +/- 3.07   0.000% *  0.0404% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   LYS+ 111  30.63 +/- 2.69   0.000% *  0.0881% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+  74  18.18 +/- 1.46   0.002% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+  74  17.49 +/- 1.61   0.002% *  0.0023% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   LYS+ 111  27.03 +/- 2.19   0.000% *  0.0219% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   LYS+ 111  28.57 +/- 2.50   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+  74  22.78 +/- 1.27   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1393 (1.33, 1.22, 24.92 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 315.4:
    * O T HG2   LYS+ 111 - HG3   LYS+ 111   1.75 +/- 0.00  99.030% * 98.9181% (1.00  10.0 10.00   6.98 315.37) = 100.000%  kept
          HB3   ASP-  44 - HG2   LYS+  74   4.90 +/- 1.12   0.916% *  0.0077% (0.08   1.0  1.00   0.02   6.11) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 111  10.48 +/- 2.20   0.006% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   LYS+  74   7.24 +/- 0.99   0.028% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG2   LYS+  74  10.51 +/- 1.76   0.003% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+  74   9.21 +/- 1.54   0.009% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+ 111  14.26 +/- 2.54   0.002% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 111  15.62 +/- 2.17   0.000% *  0.0718% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG2   LYS+  74  11.02 +/- 1.58   0.002% *  0.0088% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+ 111  16.14 +/- 1.73   0.000% *  0.0826% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG2   LYS+  74  19.49 +/- 2.56   0.000% *  0.1057% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+ 111  16.43 +/- 2.13   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+  74  10.89 +/- 1.02   0.002% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG2   LYS+  74  20.28 +/- 1.36   0.000% *  0.0948% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 111  17.97 +/- 2.12   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 111  20.31 +/- 0.94   0.000% *  0.0560% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG2   LYS+  74  15.65 +/- 1.01   0.000% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+ 111  23.64 +/- 2.73   0.000% *  0.0913% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 111  20.95 +/- 2.34   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG2   LYS+  74  22.93 +/- 1.14   0.000% *  0.0847% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   LYS+  74  14.85 +/- 1.66   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+  74  15.03 +/- 1.08   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   LYS+ 111  25.39 +/- 2.00   0.000% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+ 111  27.92 +/- 2.27   0.000% *  0.0980% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+  74  20.59 +/- 2.09   0.000% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   LYS+ 111  31.65 +/- 2.26   0.000% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1394 (1.22, 1.22, 24.92 ppm):
    2 diagonal assignments:
    *     HG3   LYS+ 111 - HG3   LYS+ 111  (1.00)  kept
          HG2   LYS+  74 - HG2   LYS+  74  (0.04)  kept
 
    Peak 1395 (1.69, 1.22, 24.92 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 315.4:
    * O T HD2   LYS+ 111 - HG3   LYS+ 111   2.72 +/- 0.20  98.998% * 96.7411% (1.00  10.0 10.00   5.40 315.37) =  99.999%  kept
        T QD    LYS+ 106 - HG3   LYS+ 111  11.46 +/- 2.68   0.064% *  0.7025% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 111   9.23 +/- 2.23   0.193% *  0.0948% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 111  10.07 +/- 2.35   0.198% *  0.0839% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+  74   6.95 +/- 0.47   0.419% *  0.0093% (0.10   1.0  1.00   0.02  42.16) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  74  19.70 +/- 2.92   0.005% *  0.1034% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  74  10.66 +/- 1.71   0.048% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+ 111  21.80 +/- 2.83   0.001% *  0.6645% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG3   LYS+ 111  21.82 +/- 1.72   0.000% *  0.6645% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  13.22 +/- 2.22   0.016% *  0.0160% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  74  15.56 +/- 1.14   0.003% *  0.0751% (0.08   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.00 +/- 1.89   0.001% *  0.1493% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  74  13.03 +/- 1.27   0.010% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 111  18.50 +/- 1.10   0.001% *  0.0868% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  74  18.44 +/- 1.48   0.001% *  0.0710% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  10.70 +/- 1.23   0.037% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  74  20.69 +/- 1.73   0.001% *  0.0710% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+ 111  22.48 +/- 2.39   0.000% *  0.0868% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  27.85 +/- 2.13   0.000% *  0.2986% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  21.37 +/- 1.11   0.000% *  0.0319% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.58 +/- 2.57   0.000% *  0.0191% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  74  21.56 +/- 2.10   0.001% *  0.0093% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1396 (1.64, 1.22, 24.92 ppm):
    16 chemical-shift based assignments, quality = 0.924, support = 5.41, residual support = 304.7:
    * O T HD3   LYS+ 111 - HG3   LYS+ 111   2.82 +/- 0.20  49.360% * 89.7666% (1.00  10.0 10.00   5.40 315.37) =  91.631%  kept
      O T HD2   LYS+  74 - HG2   LYS+  74   2.80 +/- 0.21  50.504% *  8.0133% (0.09  10.0 10.00   5.54 187.48) =   8.369%  kept
          QB    ALA   57 - HG3   LYS+ 111  12.32 +/- 1.54   0.010% *  0.0896% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+  74   9.20 +/- 1.80   0.088% *  0.0096% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  19.02 +/- 2.23   0.001% *  0.7498% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  13.22 +/- 2.22   0.008% *  0.0239% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  15.38 +/- 1.18   0.002% *  0.0860% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  20.52 +/- 2.75   0.001% *  0.0959% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.00 +/- 1.89   0.001% *  0.2238% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  14.81 +/- 1.86   0.003% *  0.0250% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  28.37 +/- 2.09   0.000% *  0.8051% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  10.70 +/- 1.23   0.021% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.79 +/- 0.96   0.000% *  0.0805% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  22.58 +/- 2.57   0.000% *  0.0178% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  22.27 +/- 2.26   0.000% *  0.0086% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.76 +/- 1.41   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1397 (3.06, 1.22, 24.92 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 315.4:
    * O T QE    LYS+ 111 - HG3   LYS+ 111   2.43 +/- 0.57  98.174% * 99.7265% (1.00  10.0 10.00   5.44 315.37) = 100.000%  kept
          HB2   PHE   45 - HG2   LYS+  74   7.92 +/- 1.34   1.571% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG2   LYS+  74   8.18 +/- 1.05   0.246% *  0.0060% (0.06   1.0  1.00   0.02   9.12) =   0.000%
          HB2   PHE   45 - HG3   LYS+ 111  15.19 +/- 1.98   0.007% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG2   LYS+  74  18.09 +/- 2.32   0.001% *  0.1066% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG3   LYS+ 111  25.29 +/- 2.76   0.000% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1398 (4.53, 1.69, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.4:
    *   T HA    LYS+ 111 - HD2   LYS+ 111   2.98 +/- 0.56  99.785% * 99.4172% (1.00 10.00   6.21 315.37) = 100.000%  kept
          HA    PRO   52 - HD2   LYS+ 111  12.14 +/- 3.40   0.204% *  0.0643% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+ 102  21.83 +/- 2.00   0.002% *  0.2599% (0.26 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  18.52 +/- 2.06   0.003% *  0.1523% (0.15 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  17.95 +/- 1.60   0.005% *  0.0099% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  38  27.38 +/- 1.14   0.000% *  0.0748% (0.08 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+ 102  25.72 +/- 3.52   0.001% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  38  29.72 +/- 2.64   0.000% *  0.0048% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1399 (2.02, 1.69, 29.56 ppm):
    48 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 315.4:
    * O T HB2   LYS+ 111 - HD2   LYS+ 111   2.50 +/- 0.47  75.757% * 97.9440% (1.00  10.0 10.00   6.62 315.37) =  99.996%  kept
          QB    GLU- 114 - HD2   LYS+ 111   4.97 +/- 1.55   3.394% *  0.0555% (0.57   1.0  1.00   0.02   0.02) =   0.003%
          HB2   GLN   17 - QD    LYS+  65   7.12 +/- 3.14   3.705% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QD    LYS+  38   4.10 +/- 1.36  16.126% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+ 102   7.38 +/- 1.90   0.564% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  65   8.68 +/- 2.09   0.202% *  0.0130% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65   8.67 +/- 1.19   0.080% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65   9.18 +/- 1.64   0.102% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+ 102  18.11 +/- 1.79   0.002% *  0.1246% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+ 102  20.74 +/- 2.44   0.001% *  0.2561% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  38  14.51 +/- 0.89   0.004% *  0.0359% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   LYS+ 111  12.67 +/- 1.24   0.006% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  18.77 +/- 2.12   0.001% *  0.1500% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  11.96 +/- 2.19   0.014% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  17.87 +/- 2.27   0.001% *  0.0730% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+ 102  15.97 +/- 1.83   0.003% *  0.0145% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  12.13 +/- 1.50   0.010% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  38  14.82 +/- 2.42   0.004% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   LYS+ 111  29.19 +/- 2.97   0.000% *  0.4767% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  38  15.07 +/- 1.61   0.003% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.32 +/- 1.27   0.002% *  0.0085% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+ 102  20.25 +/- 2.02   0.001% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD2   LYS+ 111  25.28 +/- 2.46   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  38  14.61 +/- 2.11   0.004% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+ 102  20.02 +/- 2.03   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+ 102  16.24 +/- 1.32   0.002% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   LYS+ 111  25.63 +/- 2.20   0.000% *  0.0850% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD2   LYS+ 111  26.04 +/- 1.51   0.000% *  0.0971% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  38  13.49 +/- 0.87   0.005% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+ 102  19.50 +/- 1.38   0.001% *  0.0125% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+ 102  22.23 +/- 2.06   0.000% *  0.0230% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+ 102  19.18 +/- 2.16   0.001% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD2   LYS+ 111  24.80 +/- 3.06   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  38  26.54 +/- 1.97   0.000% *  0.0737% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  38  16.29 +/- 1.08   0.002% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD2   LYS+ 111  25.40 +/- 2.18   0.000% *  0.0477% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+ 102  18.82 +/- 1.66   0.001% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+ 102  24.14 +/- 1.33   0.000% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  17.62 +/- 2.10   0.001% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD2   LYS+ 111  31.30 +/- 2.98   0.000% *  0.0878% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  23.58 +/- 2.33   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  38  20.84 +/- 1.53   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  38  21.56 +/- 0.63   0.000% *  0.0066% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   LYS+ 111  28.69 +/- 2.66   0.000% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  38  21.27 +/- 1.44   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   LYS+ 111  27.52 +/- 2.53   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  22.52 +/- 1.39   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  38  21.14 +/- 1.92   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1400 (1.33, 1.69, 29.56 ppm):
    52 chemical-shift based assignments, quality = 0.846, support = 6.13, residual support = 299.6:
    * O T HG2   LYS+ 111 - HD2   LYS+ 111   2.95 +/- 0.09  23.165% * 90.8110% (1.00  10.0 10.00   6.21 315.37) =  83.608%  kept
      O T HG2   LYS+  38 - QD    LYS+  38   2.41 +/- 0.16  75.335% *  5.4729% (0.06  10.0 10.00   5.75 219.19) =  16.386%  kept
        T HB3   PRO   93 - HD2   LYS+ 111  11.16 +/- 2.50   0.233% *  0.2803% (0.31   1.0 10.00   0.02   0.02) =   0.003%
        T HG2   LYS+  99 - QD    LYS+  38   5.62 +/- 1.06   0.883% *  0.0613% (0.07   1.0 10.00   0.02   0.02) =   0.002%
        T HG2   LYS+  99 - QD    LYS+ 102   8.42 +/- 1.42   0.117% *  0.2129% (0.23   1.0 10.00   0.02   1.82) =   0.001%
        T HG2   LYS+  38 - QD    LYS+ 102  11.93 +/- 1.69   0.011% *  0.1901% (0.21   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   7.98 +/- 1.31   0.128% *  0.0106% (0.12   1.0  1.00   0.02   2.67) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.29 +/- 0.67   0.060% *  0.0116% (0.13   1.0  1.00   0.02   1.58) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  16.21 +/- 2.53   0.004% *  0.0659% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  14.93 +/- 2.78   0.008% *  0.0140% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 102  13.45 +/- 1.89   0.004% *  0.0235% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  16.43 +/- 1.51   0.001% *  0.0759% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  12.30 +/- 1.95   0.008% *  0.0079% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+ 102  21.21 +/- 2.89   0.000% *  0.2374% (0.26   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  25.49 +/- 2.15   0.000% *  0.8144% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  18.86 +/- 1.57   0.000% *  0.1248% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  11.00 +/- 1.42   0.015% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  20.33 +/- 1.86   0.000% *  0.1391% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  13.18 +/- 1.54   0.004% *  0.0101% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  17.13 +/- 2.14   0.001% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  12.21 +/- 0.61   0.005% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 102  16.60 +/- 3.84   0.002% *  0.0106% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  14.59 +/- 4.27   0.005% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.95 +/- 1.81   0.000% *  0.1114% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  16.34 +/- 2.92   0.001% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  18.67 +/- 2.37   0.001% *  0.0310% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  24.39 +/- 3.21   0.000% *  0.0838% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  20.19 +/- 1.23   0.000% *  0.0514% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  31.79 +/- 2.31   0.000% *  0.7272% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 102  17.78 +/- 1.90   0.001% *  0.0172% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  21.27 +/- 2.75   0.000% *  0.0407% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 102  18.15 +/- 1.47   0.000% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 102  21.09 +/- 4.34   0.000% *  0.0219% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  15.31 +/- 1.66   0.002% *  0.0043% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  18.49 +/- 3.27   0.001% *  0.0081% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 102  17.79 +/- 2.96   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  28.39 +/- 2.64   0.000% *  0.0900% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  27.48 +/- 2.34   0.000% *  0.0683% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  18.28 +/- 1.14   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.84 +/- 1.37   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  21.52 +/- 1.80   0.000% *  0.0138% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  16.28 +/- 1.53   0.001% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.07 +/- 1.71   0.000% *  0.0073% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  21.78 +/- 1.63   0.000% *  0.0128% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  19.74 +/- 0.87   0.000% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  20.06 +/- 1.65   0.000% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  22.60 +/- 1.44   0.000% *  0.0062% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  23.56 +/- 2.14   0.000% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  22.26 +/- 2.02   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  38  22.11 +/- 1.29   0.000% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  20.96 +/- 1.25   0.000% *  0.0011% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  38  23.96 +/- 1.24   0.000% *  0.0021% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1401 (1.22, 1.69, 29.56 ppm):
    32 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 315.4:
    * O T HG3   LYS+ 111 - HD2   LYS+ 111   2.72 +/- 0.20  95.727% * 98.1177% (1.00  10.0 10.00   5.40 315.37) =  99.999%  kept
        T HG3   LYS+  99 - QD    LYS+  38   5.92 +/- 1.16   3.287% *  0.0252% (0.03   1.0 10.00   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HD2   LYS+ 111   8.17 +/- 1.66   0.555% *  0.0368% (0.38   1.0  1.00   0.02  28.11) =   0.000%
        T HG3   LYS+  99 - QD    LYS+ 102   8.67 +/- 1.57   0.207% *  0.0875% (0.09   1.0 10.00   0.02   1.82) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  19.70 +/- 2.92   0.005% *  0.3682% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  13.22 +/- 2.22   0.016% *  0.0564% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+ 111  18.30 +/- 3.90   0.003% *  0.0972% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  15.55 +/- 3.56   0.056% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.79 +/- 2.59   0.046% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  20.00 +/- 1.89   0.001% *  0.1503% (0.15   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 102  21.80 +/- 2.83   0.001% *  0.2565% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  38  11.25 +/- 1.52   0.032% *  0.0033% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  10.80 +/- 1.39   0.034% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 102  20.69 +/- 1.73   0.001% *  0.0963% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  25.32 +/- 2.50   0.000% *  0.3347% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+ 102  18.77 +/- 3.92   0.002% *  0.0254% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  18.60 +/- 1.60   0.001% *  0.0513% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  13.84 +/- 1.41   0.007% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+ 102  15.11 +/- 1.26   0.004% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 102  15.17 +/- 1.30   0.004% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  14.53 +/- 1.57   0.006% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.37 +/- 1.11   0.000% *  0.0277% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD2   LYS+ 111  25.12 +/- 2.39   0.000% *  0.0440% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  27.85 +/- 2.13   0.000% *  0.0738% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.24 +/- 2.33   0.000% *  0.0403% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  22.82 +/- 1.79   0.000% *  0.0149% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  16.69 +/- 1.44   0.002% *  0.0015% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 102  20.84 +/- 1.53   0.001% *  0.0051% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  27.03 +/- 2.32   0.000% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+ 102  24.07 +/- 2.06   0.000% *  0.0096% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  24.21 +/- 2.09   0.000% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  38  27.91 +/- 1.94   0.000% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1402 (1.69, 1.69, 29.56 ppm):
    4 diagonal assignments:
    *     HD2   LYS+ 111 - HD2   LYS+ 111  (1.00)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.18)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.02)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.02)  kept
 
    Peak 1403 (1.64, 1.69, 29.56 ppm):
    1 diagonal assignment:
          QD    LYS+  65 - QD    LYS+  65  (0.04)  kept
    Reference assignment not found: HD3   LYS+ 111 - HD2   LYS+ 111
 
    Peak 1404 (3.06, 1.69, 29.56 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.4:
    * O T QE    LYS+ 111 - HD2   LYS+ 111   2.26 +/- 0.09  99.994% * 99.2899% (1.00  10.0 10.00   4.97 315.37) = 100.000%  kept
        T QE    LYS+ 111 - QD    LYS+ 102  20.04 +/- 2.60   0.000% *  0.2596% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HD2   LYS+ 111  15.97 +/- 2.05   0.001% *  0.0939% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  18.52 +/- 1.97   0.000% *  0.1521% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+ 102  17.87 +/- 2.86   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  17.71 +/- 1.95   0.001% *  0.0144% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  16.56 +/- 2.16   0.001% *  0.0086% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+ 102  19.48 +/- 2.49   0.000% *  0.0147% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  38  25.58 +/- 1.76   0.000% *  0.0747% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD2   LYS+ 111  25.88 +/- 2.63   0.000% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  38  18.20 +/- 1.71   0.000% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  38  21.95 +/- 1.08   0.000% *  0.0071% (0.07   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1405 (4.53, 1.64, 29.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.4:
    *   T HA    LYS+ 111 - HD3   LYS+ 111   3.93 +/- 0.59  99.333% * 98.7339% (1.00 10.00   6.21 315.37) = 100.000%  kept
          HA    PRO   52 - HD3   LYS+ 111  12.92 +/- 3.58   0.631% *  0.0639% (0.65  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  18.52 +/- 2.06   0.018% *  0.2444% (0.25 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  33  27.63 +/- 1.76   0.001% *  0.8848% (0.90 10.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  17.95 +/- 1.60   0.016% *  0.0158% (0.16  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  33  27.33 +/- 2.16   0.001% *  0.0572% (0.58  1.00   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1406 (2.02, 1.64, 29.56 ppm):
    36 chemical-shift based assignments, quality = 0.999, support = 6.61, residual support = 314.9:
    * O T HB2   LYS+ 111 - HD3   LYS+ 111   3.23 +/- 0.44  57.132% * 96.6565% (1.00  10.0 10.00   6.62 315.37) =  99.855%  kept
        T HG3   GLN   30 - QD    LYS+  33   4.83 +/- 1.12  16.579% *  0.4216% (0.44   1.0 10.00   0.02   0.17) =   0.126%
          QB    GLU- 114 - HD3   LYS+ 111   5.19 +/- 1.84  12.439% *  0.0547% (0.57   1.0  1.00   0.02   0.02) =   0.012%
          HB2   GLN   17 - QD    LYS+  65   7.12 +/- 3.14   8.947% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.004%
          HB2   GLN   30 - QD    LYS+  33   5.76 +/- 0.92   3.219% *  0.0193% (0.20   1.0  1.00   0.02   0.17) =   0.001%
          QB    GLU-  15 - QD    LYS+  33  10.14 +/- 2.15   0.346% *  0.0858% (0.89   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE   19 - QD    LYS+  33   8.62 +/- 1.39   0.297% *  0.0422% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  65   8.68 +/- 2.09   0.448% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65   8.67 +/- 1.19   0.209% *  0.0237% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65   9.18 +/- 1.64   0.220% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  33  12.54 +/- 1.33   0.026% *  0.0777% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  33  14.13 +/- 1.66   0.011% *  0.0858% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  33  14.71 +/- 2.26   0.011% *  0.0751% (0.78   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  18.77 +/- 2.12   0.002% *  0.2393% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  11.96 +/- 2.19   0.040% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  33  13.16 +/- 1.95   0.016% *  0.0241% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  17.87 +/- 2.27   0.003% *  0.1165% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  33  15.16 +/- 2.12   0.009% *  0.0356% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   LYS+ 111  13.55 +/- 1.34   0.010% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  33  27.44 +/- 2.15   0.000% *  0.8662% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  12.13 +/- 1.50   0.026% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   LYS+ 111  29.83 +/- 2.83   0.000% *  0.4705% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  16.32 +/- 1.27   0.004% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   LYS+ 111  26.31 +/- 2.36   0.000% *  0.0958% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  33  22.92 +/- 1.35   0.001% *  0.0490% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   LYS+ 111  26.53 +/- 2.31   0.000% *  0.0838% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   LYS+ 111  26.93 +/- 1.46   0.000% *  0.0958% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  17.62 +/- 2.10   0.003% *  0.0053% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD3   LYS+ 111  25.68 +/- 3.17   0.000% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HD3   LYS+ 111  26.25 +/- 2.08   0.000% *  0.0470% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  33  22.88 +/- 1.61   0.001% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  23.58 +/- 2.33   0.000% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   LYS+ 111  31.77 +/- 3.06   0.000% *  0.0867% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  22.52 +/- 1.39   0.001% *  0.0067% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   LYS+ 111  28.14 +/- 2.42   0.000% *  0.0215% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   LYS+ 111  29.06 +/- 2.90   0.000% *  0.0269% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1407 (1.33, 1.64, 29.56 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 315.4:
    * O T HG2   LYS+ 111 - HD3   LYS+ 111   2.36 +/- 0.14  99.741% * 96.9774% (1.00  10.0 10.00   6.21 315.37) = 100.000%  kept
          HB2   LEU   31 - QD    LYS+  33   8.01 +/- 0.82   0.092% *  0.0861% (0.89   1.0  1.00   0.02   0.56) =   0.000%
          HG2   LYS+  38 - QD    LYS+  33   9.99 +/- 0.95   0.029% *  0.0696% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.29 +/- 0.67   0.067% *  0.0201% (0.21   1.0  1.00   0.02   1.58) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  12.01 +/- 2.15   0.026% *  0.0299% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    LYS+  33  13.05 +/- 1.34   0.005% *  0.0779% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.01 +/- 1.38   0.005% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  12.30 +/- 1.95   0.010% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  18.86 +/- 1.57   0.000% *  0.2153% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD3   LYS+ 111  16.98 +/- 2.20   0.001% *  0.0704% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  33  17.06 +/- 1.78   0.001% *  0.0802% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  33  15.93 +/- 1.16   0.001% *  0.0631% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  13.18 +/- 1.54   0.004% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  20.33 +/- 1.86   0.000% *  0.2401% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD3   LYS+ 111  17.43 +/- 1.58   0.001% *  0.0810% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  33  16.99 +/- 1.49   0.001% *  0.0726% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HD3   LYS+ 111  15.34 +/- 2.52   0.004% *  0.0150% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HD3   LYS+ 111  17.06 +/- 2.03   0.001% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.95 +/- 1.81   0.000% *  0.1922% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  33  18.60 +/- 3.64   0.001% *  0.0492% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  33  28.32 +/- 1.96   0.000% *  0.8690% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  17.84 +/- 1.03   0.001% *  0.0296% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  18.89 +/- 2.19   0.001% *  0.0331% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  15.31 +/- 1.66   0.002% *  0.0074% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD3   LYS+ 111  20.76 +/- 1.45   0.000% *  0.0549% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  33  16.92 +/- 1.20   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  33  20.33 +/- 1.39   0.000% *  0.0390% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  21.65 +/- 2.71   0.000% *  0.0435% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD3   LYS+ 111  24.82 +/- 3.01   0.000% *  0.0895% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HD3   LYS+ 111  25.94 +/- 2.41   0.000% *  0.0870% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  21.39 +/- 1.68   0.000% *  0.0268% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.84 +/- 1.37   0.000% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  21.52 +/- 1.80   0.000% *  0.0238% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  16.28 +/- 1.53   0.001% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  21.78 +/- 1.63   0.000% *  0.0222% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD3   LYS+ 111  28.82 +/- 2.61   0.000% *  0.0961% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  20.06 +/- 1.65   0.000% *  0.0082% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  22.60 +/- 1.44   0.000% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HD3   LYS+ 111  32.29 +/- 2.53   0.000% *  0.0777% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1408 (1.22, 1.64, 29.56 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 315.4:
    * O T HG3   LYS+ 111 - HD3   LYS+ 111   2.82 +/- 0.20  95.447% * 97.4498% (1.00  10.0 10.00   5.40 315.37) =  99.998%  kept
          HG    LEU   71 - QD    LYS+  33   6.60 +/- 2.44   3.004% *  0.0359% (0.37   1.0  1.00   0.02   0.02) =   0.001%
          HB3   LEU   71 - QD    LYS+  33   7.26 +/- 2.18   0.903% *  0.0392% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HD3   LYS+ 111   9.27 +/- 1.50   0.163% *  0.0366% (0.38   1.0  1.00   0.02  28.11) =   0.000%
          HG13  ILE   19 - QD    LYS+  33   8.52 +/- 1.94   0.304% *  0.0173% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  13.22 +/- 2.22   0.020% *  0.0905% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  33  15.38 +/- 1.18   0.004% *  0.3277% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD3   LYS+ 111  20.52 +/- 2.75   0.002% *  0.3657% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 111  18.48 +/- 3.82   0.005% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  15.55 +/- 3.56   0.045% *  0.0091% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QD    LYS+  33  13.03 +/- 1.19   0.013% *  0.0298% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.79 +/- 2.59   0.066% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  20.00 +/- 1.89   0.001% *  0.2412% (0.25   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  18.60 +/- 1.60   0.001% *  0.0823% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  13.84 +/- 1.41   0.010% *  0.0108% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  33  28.37 +/- 2.09   0.000% *  0.8733% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  14.53 +/- 1.57   0.008% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  33  21.09 +/- 2.37   0.001% *  0.0866% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 111  25.85 +/- 2.42   0.000% *  0.0437% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  22.82 +/- 1.79   0.000% *  0.0239% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HD3   LYS+ 111  25.80 +/- 2.71   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HD3   LYS+ 111  26.97 +/- 2.39   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  33  27.46 +/- 3.23   0.000% *  0.0328% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD3   LYS+ 111  27.92 +/- 2.19   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1409 (1.69, 1.64, 29.56 ppm):
    1 diagonal assignment:
          QD    LYS+  65 - QD    LYS+  65  (0.04)  kept
    Reference assignment not found: HD2   LYS+ 111 - HD3   LYS+ 111
 
    Peak 1410 (1.64, 1.64, 29.56 ppm):
    3 diagonal assignments:
    *     HD3   LYS+ 111 - HD3   LYS+ 111  (1.00)  kept
          QD    LYS+  33 - QD    LYS+  33  (0.80)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.06)  kept
 
    Peak 1411 (3.06, 1.64, 29.56 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.4:
    * O T QE    LYS+ 111 - HD3   LYS+ 111   2.49 +/- 0.09  99.960% * 98.5534% (1.00  10.0 10.00   4.97 315.37) = 100.000%  kept
          HB2   CYS   21 - QD    LYS+  33   9.89 +/- 1.26   0.034% *  0.0500% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  18.52 +/- 1.97   0.001% *  0.2440% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - HD3   LYS+ 111  16.50 +/- 1.70   0.001% *  0.0932% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  33  26.26 +/- 1.69   0.000% *  0.8831% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  33  18.54 +/- 1.01   0.001% *  0.0835% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  17.71 +/- 1.95   0.001% *  0.0231% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  16.56 +/- 2.16   0.002% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD3   LYS+ 111  26.55 +/- 2.73   0.000% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1412 (4.53, 3.06, 42.92 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.4:
    *   T HA    LYS+ 111 - QE    LYS+ 111   3.05 +/- 0.48  99.799% * 99.9354% (1.00 10.00   5.62 315.37) = 100.000%  kept
          HA    PRO   52 - QE    LYS+ 111  10.62 +/- 3.17   0.201% *  0.0646% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1413 (2.02, 3.06, 42.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 315.3:
    *   T HB2   LYS+ 111 - QE    LYS+ 111   3.38 +/- 0.71  87.886% * 98.9314% (1.00 10.00   6.06 315.37) =  99.992%  kept
          QB    GLU- 114 - QE    LYS+ 111   5.06 +/- 1.18  12.050% *  0.0560% (0.57  1.00   0.02   0.02) =   0.008%
          HB    ILE  119 - QE    LYS+ 111  12.04 +/- 1.00   0.056% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QE    LYS+ 111  26.70 +/- 2.30   0.001% *  0.4816% (0.49 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    LYS+ 111  23.24 +/- 2.14   0.002% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    LYS+ 111  23.97 +/- 1.32   0.001% *  0.0981% (0.99  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QE    LYS+ 111  23.67 +/- 1.98   0.001% *  0.0858% (0.87  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QE    LYS+ 111  23.36 +/- 1.75   0.001% *  0.0482% (0.49  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QE    LYS+ 111  22.95 +/- 2.61   0.001% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    LYS+ 111  28.35 +/- 2.27   0.000% *  0.0887% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QE    LYS+ 111  25.20 +/- 1.93   0.001% *  0.0220% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QE    LYS+ 111  26.32 +/- 2.27   0.001% *  0.0275% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1414 (1.33, 3.06, 42.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 315.4:
    * O T HG2   LYS+ 111 - QE    LYS+ 111   2.87 +/- 0.37  99.551% * 99.2615% (1.00  10.0 10.00   5.62 315.37) = 100.000%  kept
          HB3   PRO   93 - QE    LYS+ 111  10.31 +/- 2.05   0.332% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QE    LYS+ 111  13.42 +/- 2.38   0.083% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QE    LYS+ 111  15.04 +/- 2.15   0.013% *  0.0721% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - QE    LYS+ 111  15.43 +/- 1.47   0.005% *  0.0829% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QE    LYS+ 111  15.19 +/- 1.50   0.007% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 111  16.71 +/- 1.76   0.004% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - QE    LYS+ 111  22.06 +/- 2.68   0.001% *  0.0916% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 111  18.65 +/- 1.03   0.002% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 111  19.64 +/- 2.04   0.001% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QE    LYS+ 111  23.51 +/- 1.72   0.000% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QE    LYS+ 111  25.92 +/- 1.92   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QE    LYS+ 111  29.11 +/- 1.84   0.000% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1415 (1.22, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 315.4:
    * O T HG3   LYS+ 111 - QE    LYS+ 111   2.43 +/- 0.57  99.408% * 99.3524% (1.00  10.0 10.00   5.44 315.37) = 100.000%  kept
          HD2   LYS+ 112 - QE    LYS+ 111   7.49 +/- 1.55   0.585% *  0.0373% (0.38   1.0  1.00   0.02  28.11) =   0.000%
        T HG2   LYS+  74 - QE    LYS+ 111  18.09 +/- 2.32   0.002% *  0.3729% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QE    LYS+ 111  16.39 +/- 3.13   0.003% *  0.0985% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+ 111  23.36 +/- 2.05   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QE    LYS+ 111  23.17 +/- 1.85   0.000% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 111  24.20 +/- 1.77   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 111  24.84 +/- 1.86   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1416 (1.69, 3.06, 42.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.4:
    * O T HD2   LYS+ 111 - QE    LYS+ 111   2.26 +/- 0.09  98.938% * 98.3525% (1.00  10.0 10.00   4.97 315.37) =  99.999%  kept
          HB3   MET   92 - QE    LYS+ 111   8.98 +/- 2.02   0.752% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   93 - QE    LYS+ 111   9.77 +/- 2.27   0.279% *  0.0853% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QE    LYS+ 111  10.89 +/- 2.09   0.029% *  0.0714% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+ 111  20.04 +/- 2.60   0.000% *  0.6756% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  18.52 +/- 1.97   0.000% *  0.1518% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 111  17.09 +/- 1.14   0.001% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+ 111  25.58 +/- 1.76   0.000% *  0.3036% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    LYS+ 111  20.20 +/- 1.53   0.000% *  0.0676% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 111  21.14 +/- 1.95   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  21.10 +/- 2.26   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1417 (1.64, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 315.4:
    * O T HD3   LYS+ 111 - QE    LYS+ 111   2.49 +/- 0.09  99.979% * 98.5544% (1.00  10.0 10.00   4.97 315.37) = 100.000%  kept
          QB    ALA   57 - QE    LYS+ 111  11.58 +/- 1.49   0.013% *  0.0983% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  18.52 +/- 1.97   0.001% *  0.2457% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 111  13.96 +/- 1.73   0.005% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+ 111  18.05 +/- 2.07   0.001% *  0.0823% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+ 111  26.26 +/- 1.69   0.000% *  0.8839% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+ 111  18.24 +/- 0.99   0.001% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  21.10 +/- 2.26   0.000% *  0.0195% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1418 (3.06, 3.06, 42.92 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 111 - QE    LYS+ 111  (1.00)  kept
 
    Peak 1419 (3.46, 3.46, 61.33 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 112 - HA    LYS+ 112  (1.00)  kept
 
    Peak 1420 (1.37, 3.46, 61.33 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.7:
    * O T HB2   LYS+ 112 - HA    LYS+ 112   2.83 +/- 0.14  99.817% * 98.3538% (1.00  10.0 10.00   6.00 231.66) = 100.000%  kept
          HB3   PRO   93 - HA    LYS+ 112   9.49 +/- 1.73   0.142% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HA    LYS+ 112  17.32 +/- 1.43   0.002% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LYS+ 112  14.26 +/- 0.71   0.007% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LYS+ 112  16.24 +/- 1.96   0.004% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 112  13.64 +/- 2.37   0.020% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 112  19.72 +/- 1.92   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 112  18.81 +/- 1.55   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 112  16.92 +/- 0.86   0.002% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 112  18.47 +/- 0.89   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 112  19.94 +/- 1.83   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LYS+ 112  24.25 +/- 1.71   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LYS+ 112  28.61 +/- 1.56   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 112  26.95 +/- 2.46   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1421 (0.36, 3.46, 61.33 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 231.7:
    * O T HG2   LYS+ 112 - HA    LYS+ 112   2.71 +/- 0.74  99.961% * 99.8441% (1.00  10.0 10.00   6.08 231.66) = 100.000%  kept
          QG1   VAL   42 - HA    LYS+ 112  12.69 +/- 1.22   0.021% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   47 - HA    LYS+ 112  13.23 +/- 1.34   0.018% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1422 (1.05, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.7:
    * O T HG3   LYS+ 112 - HA    LYS+ 112   3.02 +/- 0.52  99.791% * 99.8009% (1.00  10.0 10.00   5.76 231.66) = 100.000%  kept
          HG    LEU   63 - HA    LYS+ 112  11.34 +/- 1.59   0.069% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    LYS+ 112   9.60 +/- 0.59   0.134% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    LYS+ 112  16.94 +/- 0.78   0.005% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LYS+ 112  22.33 +/- 1.81   0.001% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1423 (1.20, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.815, support = 6.06, residual support = 231.7:
      O T HB3   LYS+ 112 - HA    LYS+ 112   2.73 +/- 0.23  82.145% * 43.2573% (0.76  10.0 10.00   6.24 231.66) =  78.449%  kept
    *   T HD2   LYS+ 112 - HA    LYS+ 112   4.00 +/- 0.85  17.246% * 56.6026% (1.00   1.0 10.00   5.41 231.66) =  21.551%  kept
          HG3   LYS+ 111 - HA    LYS+ 112   6.45 +/- 0.52   0.549% *  0.0212% (0.38   1.0  1.00   0.02  28.11) =   0.000%
          QG2   THR   94 - HA    LYS+ 112  10.26 +/- 1.26   0.059% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 112  21.88 +/- 2.03   0.000% *  0.0561% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 112  19.04 +/- 2.71   0.001% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1424 (3.46, 1.37, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 231.7:
    * O T HA    LYS+ 112 - HB2   LYS+ 112   2.83 +/- 0.14  99.822% * 98.8850% (1.00  10.0 10.00   6.00 231.66) = 100.000%  kept
          HB2   HIS  122 - HB    VAL   42  10.17 +/- 3.01   0.154% *  0.0748% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 112 - HB    VAL   42  17.32 +/- 1.43   0.002% *  0.8336% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB    VAL   42  12.79 +/- 0.96   0.015% *  0.0539% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LYS+ 112  16.08 +/- 1.85   0.004% *  0.0640% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HB2   LYS+ 112  16.52 +/- 1.33   0.003% *  0.0887% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.775, support = 4.95, residual support = 122.2:
      O T QG1   VAL   42 - HB    VAL   42   2.13 +/- 0.01  81.987% * 40.6012% (0.70  10.0 10.00   4.39  88.10) =  76.222%  kept
    * O T HG2   LYS+ 112 - HB2   LYS+ 112   2.80 +/- 0.24  18.010% * 57.6594% (1.00  10.0 10.00   6.74 231.66) =  23.778%  kept
        T QG1   VAL   42 - HB2   LYS+ 112  14.59 +/- 1.48   0.001% *  0.4816% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB2   LYS+ 112  14.30 +/- 1.42   0.001% *  0.4187% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  14.82 +/- 0.90   0.001% *  0.3530% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  18.42 +/- 2.52   0.000% *  0.4861% (0.84   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1427 (1.05, 1.37, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.7:
    * O T HG3   LYS+ 112 - HB2   LYS+ 112   2.69 +/- 0.29  99.488% * 98.8037% (1.00  10.0 10.00   5.76 231.66) = 100.000%  kept
          HG    LEU   63 - HB    VAL   42   8.14 +/- 1.37   0.350% *  0.0637% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    VAL   42   9.26 +/- 1.05   0.100% *  0.0208% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 112 - HB    VAL   42  18.96 +/- 2.26   0.002% *  0.8329% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB2   LYS+ 112  11.21 +/- 0.45   0.024% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HB2   LYS+ 112  13.38 +/- 1.27   0.009% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    VAL   42  12.70 +/- 1.19   0.012% *  0.0505% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB    VAL   42  12.06 +/- 1.09   0.014% *  0.0313% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB2   LYS+ 112  19.18 +/- 0.73   0.001% *  0.0246% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LYS+ 112  24.08 +/- 1.90   0.000% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1428 (1.20, 1.37, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.778, support = 6.23, residual support = 231.7:
      O T HB3   LYS+ 112 - HB2   LYS+ 112   1.75 +/- 0.00  94.069% * 42.8460% (0.76  10.0 10.00   6.24 231.66) =  94.322%  kept
    * O T HD2   LYS+ 112 - HB2   LYS+ 112   3.28 +/- 0.57   4.326% * 56.0644% (1.00  10.0 10.00   6.11 231.66) =   5.676%  kept
          HB3   LEU   71 - HB    VAL   42   5.09 +/- 0.93   1.557% *  0.0468% (0.84   1.0  1.00   0.02   5.44) =   0.002%
          HG3   LYS+ 111 - HB2   LYS+ 112   6.79 +/- 0.89   0.042% *  0.0210% (0.38   1.0  1.00   0.02  28.11) =   0.000%
          QG2   THR   94 - HB    VAL   42   9.70 +/- 0.81   0.004% *  0.0378% (0.68   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 112 - HB    VAL   42  19.20 +/- 2.84   0.000% *  0.4726% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   94 - HB2   LYS+ 112  12.08 +/- 1.11   0.001% *  0.0449% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 112 - HB    VAL   42  19.62 +/- 1.67   0.000% *  0.3612% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    VAL   42  16.70 +/- 1.75   0.000% *  0.0146% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 112  24.11 +/- 2.32   0.000% *  0.0556% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 112  20.84 +/- 2.81   0.000% *  0.0173% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   42  20.10 +/- 1.81   0.000% *  0.0177% (0.32   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1429 (3.46, 0.36, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 231.7:
    * O T HA    LYS+ 112 - HG2   LYS+ 112   2.71 +/- 0.74  99.980% * 99.8459% (1.00  10.0 10.00   6.08 231.66) = 100.000%  kept
          HB    THR   46 - HG2   LYS+ 112  14.81 +/- 2.63   0.016% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HG2   LYS+ 112  15.87 +/- 1.46   0.004% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1430 (1.37, 0.36, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 231.7:
    * O T HB2   LYS+ 112 - HG2   LYS+ 112   2.80 +/- 0.24  99.878% * 98.3538% (1.00  10.0 10.00   6.74 231.66) = 100.000%  kept
          HB3   PRO   93 - HG2   LYS+ 112  10.32 +/- 2.17   0.085% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HG2   LYS+ 112  18.42 +/- 2.52   0.002% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG2   LYS+ 112  16.14 +/- 2.71   0.005% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG2   LYS+ 112  16.21 +/- 1.35   0.003% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG2   LYS+ 112  14.54 +/- 3.28   0.020% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 112  20.64 +/- 2.88   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 112  17.73 +/- 1.48   0.002% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 112  19.50 +/- 1.96   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 112  19.90 +/- 1.66   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 112  21.54 +/- 2.49   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG2   LYS+ 112  26.05 +/- 2.29   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG2   LYS+ 112  29.65 +/- 2.78   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 112  27.12 +/- 3.12   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1431 (0.36, 0.36, 25.56 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 112 - HG2   LYS+ 112  (1.00)  kept
 
    Peak 1432 (1.05, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 231.7:
    * O T HG3   LYS+ 112 - HG2   LYS+ 112   1.75 +/- 0.00  99.997% * 99.8009% (1.00  10.0 10.00   6.98 231.66) = 100.000%  kept
          HG    LEU   63 - HG2   LYS+ 112  12.25 +/- 2.17   0.002% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG2   LYS+ 112  11.23 +/- 0.89   0.002% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG2   LYS+ 112  18.66 +/- 1.52   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HG2   LYS+ 112  23.21 +/- 2.27   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1433 (1.20, 0.36, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.873, support = 6.78, residual support = 231.7:
      O T HB3   LYS+ 112 - HG2   LYS+ 112   2.67 +/- 0.23  60.432% * 43.2573% (0.76  10.0 10.00   6.99 231.66) =  53.937%  kept
    * O T HD2   LYS+ 112 - HG2   LYS+ 112   2.89 +/- 0.18  39.442% * 56.6026% (1.00  10.0 10.00   6.52 231.66) =  46.063%  kept
          HG3   LYS+ 111 - HG2   LYS+ 112   7.89 +/- 0.69   0.109% *  0.0212% (0.38   1.0  1.00   0.02  28.11) =   0.000%
          QG2   THR   94 - HG2   LYS+ 112  11.69 +/- 1.67   0.016% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 112  22.88 +/- 2.79   0.000% *  0.0561% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG2   LYS+ 112  20.21 +/- 2.96   0.001% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1434 (3.46, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.7:
    * O T HA    LYS+ 112 - HG3   LYS+ 112   3.02 +/- 0.52  99.984% * 99.8459% (1.00  10.0 10.00   5.76 231.66) = 100.000%  kept
          HB    THR   46 - HG3   LYS+ 112  14.85 +/- 2.44   0.011% *  0.0646% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HG3   LYS+ 112  16.73 +/- 1.20   0.005% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1435 (1.37, 1.05, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 231.7:
    * O T HB2   LYS+ 112 - HG3   LYS+ 112   2.69 +/- 0.29  99.780% * 98.3538% (1.00  10.0 10.00   5.76 231.66) = 100.000%  kept
          HB3   PRO   93 - HG3   LYS+ 112  10.24 +/- 2.44   0.163% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HG3   LYS+ 112  18.96 +/- 2.26   0.002% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 112  14.76 +/- 3.36   0.041% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 112  16.93 +/- 2.76   0.004% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 112  16.44 +/- 1.42   0.003% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG3   LYS+ 112  20.95 +/- 2.89   0.001% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 112  19.30 +/- 2.24   0.001% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 112  18.51 +/- 1.14   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 112  21.90 +/- 2.52   0.001% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 112  20.24 +/- 1.59   0.001% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 112  26.37 +/- 2.39   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 112  27.63 +/- 3.32   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 112  30.13 +/- 2.58   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1436 (0.36, 1.05, 25.56 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.98, residual support = 231.7:
    * O T HG2   LYS+ 112 - HG3   LYS+ 112   1.75 +/- 0.00  99.998% * 99.8441% (1.00  10.0 10.00   6.98 231.66) = 100.000%  kept
          QG1   VAL   42 - HG3   LYS+ 112  14.00 +/- 1.92   0.001% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   47 - HG3   LYS+ 112  13.26 +/- 1.81   0.001% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1437 (1.05, 1.05, 25.56 ppm):
    1 diagonal assignment:
    *     HG3   LYS+ 112 - HG3   LYS+ 112  (1.00)  kept
 
    Peak 1438 (1.20, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.93, support = 5.69, residual support = 231.7:
    * O T HD2   LYS+ 112 - HG3   LYS+ 112   2.40 +/- 0.12  64.332% * 56.6026% (1.00  10.0 10.00   5.55 231.66) =  70.309%  kept
      O   HB3   LYS+ 112 - HG3   LYS+ 112   2.69 +/- 0.31  35.548% * 43.2573% (0.76  10.0  1.00   6.04 231.66) =  29.691%  kept
          HG3   LYS+ 111 - HG3   LYS+ 112   7.35 +/- 0.77   0.113% *  0.0212% (0.38   1.0  1.00   0.02  28.11) =   0.000%
          QG2   THR   94 - HG3   LYS+ 112  11.71 +/- 1.72   0.007% *  0.0453% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+ 112  19.97 +/- 3.35   0.000% *  0.0175% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG3   LYS+ 112  23.44 +/- 2.56   0.000% *  0.0561% (0.99   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1439 (3.46, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.41, residual support = 231.7:
    *   T HA    LYS+ 112 - HD2   LYS+ 112   4.00 +/- 0.85  99.923% * 99.8459% (1.00 10.00   5.41 231.66) = 100.000%  kept
          HB    THR   46 - HD2   LYS+ 112  15.31 +/- 2.90   0.048% *  0.0646% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   HIS  122 - HD2   LYS+ 112  16.77 +/- 1.62   0.029% *  0.0895% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.91 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1440 (1.37, 1.20, 29.98 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.11, residual support = 231.7:
    * O T HB2   LYS+ 112 - HD2   LYS+ 112   3.28 +/- 0.57  99.256% * 98.3538% (1.00  10.0 10.00   6.11 231.66) = 100.000%  kept
          HB3   PRO   93 - HD2   LYS+ 112  10.89 +/- 2.90   0.593% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HD2   LYS+ 112  19.20 +/- 2.84   0.010% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HD2   LYS+ 112  16.63 +/- 3.27   0.038% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HD2   LYS+ 112  17.04 +/- 1.69   0.011% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 112  15.24 +/- 3.48   0.069% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD2   LYS+ 112  21.29 +/- 3.30   0.006% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 112  19.83 +/- 2.71   0.006% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 112  18.41 +/- 1.32   0.005% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 112  22.37 +/- 2.88   0.003% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 112  20.62 +/- 1.84   0.003% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HD2   LYS+ 112  26.85 +/- 2.29   0.001% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 112  27.58 +/- 3.72   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HD2   LYS+ 112  30.28 +/- 3.03   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1441 (0.36, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.52, residual support = 231.7:
    * O T HG2   LYS+ 112 - HD2   LYS+ 112   2.89 +/- 0.18  99.968% * 99.8441% (1.00  10.0 10.00   6.52 231.66) = 100.000%  kept
          QG1   VAL   42 - HD2   LYS+ 112  14.24 +/- 2.38   0.016% *  0.0834% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   47 - HD2   LYS+ 112  13.68 +/- 1.96   0.016% *  0.0725% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1442 (1.05, 1.20, 29.98 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.55, residual support = 231.7:
    * O T HG3   LYS+ 112 - HD2   LYS+ 112   2.40 +/- 0.12  99.984% * 99.8009% (1.00  10.0 10.00   5.55 231.66) = 100.000%  kept
          HG    LEU   63 - HD2   LYS+ 112  13.16 +/- 2.12   0.006% *  0.0763% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HD2   LYS+ 112  11.83 +/- 1.34   0.010% *  0.0375% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HD2   LYS+ 112  23.63 +/- 3.00   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD2   LYS+ 112  19.55 +/- 1.37   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1443 (1.20, 1.20, 29.98 ppm):
    1 diagonal assignment:
    *     HD2   LYS+ 112 - HD2   LYS+ 112  (1.00)  kept
 
    Peak 1444 (4.37, 4.37, 57.38 ppm):
    1 diagonal assignment:
    *     HA    ASP- 113 - HA    ASP- 113  (1.00)  kept
 
    Peak 1445 (2.68, 4.37, 57.38 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.0, residual support = 14.3:
    * O T QB    ASP- 113 - HA    ASP- 113   2.49 +/- 0.08 100.000% *100.0000% (1.00  10.0 10.00   2.00  14.25) = 100.000%  kept
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1446 (4.37, 2.68, 39.79 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 14.3:
    * O T HA    ASP- 113 - QB    ASP- 113   2.49 +/- 0.08  99.956% * 99.1713% (1.00  10.0 10.00   2.00  14.25) = 100.000%  kept
        T HA    PHE   59 - QB    ASP- 113  11.04 +/- 0.75   0.015% *  0.5615% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    ASP- 113  10.36 +/- 1.42   0.026% *  0.0642% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    ASP- 113  15.26 +/- 0.73   0.002% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    ASP- 113  21.31 +/- 0.82   0.000% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    ASP- 113  27.43 +/- 0.93   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1447 (2.68, 2.68, 39.79 ppm):
    1 diagonal assignment:
    *     QB    ASP- 113 - QB    ASP- 113  (1.00)  kept
 
    Peak 1448 (4.14, 4.14, 59.59 ppm):
    2 diagonal assignments:
    *     HA    GLU- 114 - HA    GLU- 114  (1.00)  kept
          HA    LEU  115 - HA    LEU  115  (0.32)  kept
 
    Peak 1449 (2.00, 4.14, 59.59 ppm):
    22 chemical-shift based assignments, quality = 0.936, support = 3.24, residual support = 48.4:
    * O T QB    GLU- 114 - HA    GLU- 114   2.27 +/- 0.15  75.122% * 63.8790% (0.97  10.0 10.00   3.15  44.29) =  96.130%  kept
      O T HB2   LEU  115 - HA    LEU  115   2.85 +/- 0.14  20.361% *  6.0284% (0.09  10.0 10.00   6.17 227.54) =   2.459%  kept
        T QB    GLU- 114 - HA    LEU  115   4.27 +/- 0.43   2.393% * 29.3979% (0.44   1.0 10.00   4.70  15.24) =   1.409%  kept
          HB2   LYS+ 111 - HA    GLU- 114   5.36 +/- 1.39   1.241% *  0.0481% (0.73   1.0  1.00   0.02   0.02) =   0.001%
        T HB2   LEU  115 - HA    GLU- 114   5.62 +/- 0.13   0.328% *  0.1310% (0.20   1.0 10.00   0.02  15.24) =   0.001%
          HB2   LYS+ 111 - HA    LEU  115   6.78 +/- 1.67   0.456% *  0.0221% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    LEU  115   9.59 +/- 1.80   0.092% *  0.0068% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  12.88 +/- 1.80   0.004% *  0.0147% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  16.90 +/- 2.36   0.001% *  0.0264% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  20.17 +/- 2.57   0.000% *  0.0574% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  19.03 +/- 1.16   0.000% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LEU  115  19.09 +/- 1.41   0.000% *  0.0244% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  17.80 +/- 1.62   0.000% *  0.0125% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LEU  115  19.65 +/- 1.24   0.000% *  0.0244% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  23.28 +/- 1.42   0.000% *  0.0611% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 114  23.21 +/- 1.39   0.000% *  0.0530% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 114  21.21 +/- 2.09   0.000% *  0.0272% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 114  23.51 +/- 1.66   0.000% *  0.0530% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU- 114  30.91 +/- 1.83   0.000% *  0.0626% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU  115  27.29 +/- 1.45   0.000% *  0.0288% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  23.26 +/- 1.25   0.000% *  0.0041% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 114  27.06 +/- 1.56   0.000% *  0.0090% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1450 (2.31, 4.14, 59.59 ppm):
    14 chemical-shift based assignments, quality = 0.886, support = 3.53, residual support = 38.3:
    * O T QG    GLU- 114 - HA    GLU- 114   3.06 +/- 0.40  63.773% * 68.1764% (1.00  10.0 10.00   3.31  44.29) =  79.301%  kept
        T QG    GLU- 114 - HA    LEU  115   4.05 +/- 1.22  36.170% * 31.3756% (0.46   1.0 10.00   4.36  15.24) =  20.699%  kept
          HG2   MET   92 - HA    GLU- 114  14.68 +/- 2.82   0.014% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    LEU  115  13.05 +/- 2.09   0.020% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU- 114  15.67 +/- 2.61   0.007% *  0.0469% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    LEU  115  13.39 +/- 1.86   0.015% *  0.0216% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    LEU  115  22.42 +/- 1.70   0.000% *  0.0308% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU- 114  26.09 +/- 2.35   0.000% *  0.0670% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU- 114  32.38 +/- 1.36   0.000% *  0.0682% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    LEU  115  29.29 +/- 1.41   0.000% *  0.0314% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU- 114  32.65 +/- 1.81   0.000% *  0.0333% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    LEU  115  29.11 +/- 1.35   0.000% *  0.0153% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLU- 114  33.44 +/- 1.72   0.000% *  0.0233% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    LEU  115  29.85 +/- 1.74   0.000% *  0.0107% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1451 (4.14, 2.00, 29.90 ppm):
    8 chemical-shift based assignments, quality = 0.958, support = 3.18, residual support = 43.6:
    * O T HA    GLU- 114 - QB    GLU- 114   2.27 +/- 0.15  96.592% * 59.0968% (0.97  10.0 10.00   3.15  44.29) =  97.660%  kept
        T HA    LEU  115 - QB    GLU- 114   4.27 +/- 0.43   3.369% * 40.5940% (0.66   1.0 10.00   4.70  15.24) =   2.340%  kept
          HA    CYS   53 - QB    GLU- 114  11.05 +/- 2.00   0.035% *  0.0117% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - QB    GLU- 114  13.57 +/- 1.68   0.004% *  0.1035% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    GLU- 114  19.67 +/- 1.30   0.000% *  0.0570% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QB    GLU- 114  22.42 +/- 1.21   0.000% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    GLU- 114  22.71 +/- 1.58   0.000% *  0.0382% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    GLU- 114  25.31 +/- 1.58   0.000% *  0.0494% (0.81   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 3.63, residual support = 44.3:
    * O T QG    GLU- 114 - QB    GLU- 114   2.09 +/- 0.04  99.977% * 99.1187% (0.96  10.0 10.00   3.63  44.29) = 100.000%  kept
          HG2   MET   92 - QB    GLU- 114  11.20 +/- 2.57   0.014% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - QB    GLU- 114  12.42 +/- 2.62   0.010% *  0.0682% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    GLU- 114  21.78 +/- 2.30   0.000% *  0.0974% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLU-  25 - QB    GLU- 114  27.82 +/- 1.88   0.000% *  0.4835% (0.47   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    GLU- 114  28.58 +/- 1.28   0.000% *  0.0991% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QB    GLU- 114  29.86 +/- 1.82   0.000% *  0.0339% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1454 (4.14, 2.31, 37.32 ppm):
    8 chemical-shift based assignments, quality = 0.91, support = 3.61, residual support = 36.1:
    * O T HA    GLU- 114 - QG    GLU- 114   3.06 +/- 0.40  63.734% * 59.1519% (1.00  10.0 10.00   3.31  44.29) =  71.972%  kept
        T HA    LEU  115 - QG    GLU- 114   4.05 +/- 1.22  36.132% * 40.6319% (0.69   1.0 10.00   4.36  15.24) =  28.027%  kept
          HA    CYS   53 - QG    GLU- 114  10.46 +/- 2.30   0.112% *  0.0117% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    GLU- 114  13.03 +/- 1.88   0.019% *  0.0104% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG    GLU- 114  19.55 +/- 1.45   0.001% *  0.0571% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QG    GLU- 114  22.19 +/- 1.48   0.000% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    GLU- 114  22.36 +/- 1.70   0.000% *  0.0383% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QG    GLU- 114  24.89 +/- 1.86   0.000% *  0.0494% (0.83   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1455 (2.00, 2.31, 37.32 ppm):
    11 chemical-shift based assignments, quality = 0.962, support = 3.62, residual support = 44.1:
    * O T QB    GLU- 114 - QG    GLU- 114   2.09 +/- 0.04  79.340% * 96.1802% (0.96  10.0 10.00   3.63  44.29) =  99.459%  kept
          HB2   LYS+ 111 - QG    GLU- 114   3.56 +/- 1.38  16.972% *  2.4426% (0.72   1.0  1.00   0.68   0.02) =   0.540%  kept
          HB2   LEU  115 - QG    GLU- 114   4.38 +/- 1.28   3.677% *  0.0197% (0.20   1.0  1.00   0.02  15.24) =   0.001%
          HG3   PRO   58 - QG    GLU- 114  11.02 +/- 2.17   0.010% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLU- 114  25.86 +/- 2.04   0.000% *  0.9428% (0.94   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLU- 114  18.60 +/- 2.27   0.000% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLU- 114  19.91 +/- 1.78   0.000% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG    GLU- 114  20.38 +/- 2.04   0.000% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG    GLU- 114  20.61 +/- 1.41   0.000% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG    GLU- 114  19.45 +/- 1.59   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLU- 114  23.09 +/- 1.85   0.000% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.59, support = 5.36, residual support = 178.6:
    * O T HB2   LEU  115 - HA    LEU  115   2.85 +/- 0.14  17.199% * 63.8902% (0.84  10.0 10.00   6.17 227.54) =  66.587%  kept
      O T QB    GLU- 114 - HA    GLU- 114   2.27 +/- 0.15  63.193% *  5.3954% (0.07  10.0 10.00   3.15  44.29) =  20.660%  kept
      O   HB3   ARG+  54 - HA    ARG+  54   2.87 +/- 0.22  17.158% *  9.9598% (0.13  10.0  1.00   4.76 169.81) =  10.355%  kept
        T QB    GLU- 114 - HA    LEU  115   4.27 +/- 0.43   2.004% * 19.7195% (0.26   1.0 10.00   4.70  15.24) =   2.394%  kept
        T HB2   LEU  115 - HA    GLU- 114   5.62 +/- 0.13   0.276% *  0.1748% (0.23   1.0 10.00   0.02  15.24) =   0.003%
          HG3   PRO   58 - HA    LEU  115   9.59 +/- 1.80   0.081% *  0.0637% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    ARG+  54   7.59 +/- 1.37   0.069% *  0.0357% (0.47   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HA    ARG+  54  11.27 +/- 1.19   0.006% *  0.3582% (0.47   1.0 10.00   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HA    ARG+  54  13.57 +/- 1.68   0.002% *  0.1106% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    LEU  115  14.33 +/- 2.23   0.002% *  0.0512% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  12.88 +/- 1.80   0.003% *  0.0174% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ARG+  54  13.75 +/- 2.37   0.002% *  0.0188% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU  115  14.22 +/- 1.37   0.001% *  0.0178% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU  115  15.83 +/- 1.48   0.001% *  0.0336% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  16.90 +/- 2.36   0.001% *  0.0286% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    ARG+  54  18.44 +/- 2.11   0.000% *  0.0287% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    GLU- 114  18.06 +/- 2.48   0.000% *  0.0140% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  19.03 +/- 1.16   0.000% *  0.0240% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ARG+  54  18.78 +/- 2.30   0.000% *  0.0134% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU- 114  17.20 +/- 1.54   0.000% *  0.0049% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ARG+  54  21.99 +/- 2.00   0.000% *  0.0161% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  20.17 +/- 2.57   0.000% *  0.0078% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU- 114  20.30 +/- 1.80   0.000% *  0.0092% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  23.28 +/- 1.42   0.000% *  0.0066% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1459 (1.48, 4.12, 59.41 ppm):
    30 chemical-shift based assignments, quality = 0.423, support = 6.25, residual support = 227.5:
      O T HB3   LEU  115 - HA    LEU  115   2.28 +/- 0.10  83.059% * 25.2077% (0.26  10.0 10.00   6.31 227.54) =  64.511%  kept
    * O T HG    LEU  115 - HA    LEU  115   3.28 +/- 0.51  16.258% * 70.8443% (0.72  10.0 10.00   6.14 227.54) =  35.487%  kept
        T HG    LEU  115 - HA    GLU- 114   6.92 +/- 0.54   0.126% *  0.1938% (0.20   1.0 10.00   0.02  15.24) =   0.001%
        T HB3   LEU  115 - HA    GLU- 114   6.22 +/- 0.28   0.210% *  0.0690% (0.07   1.0 10.00   0.02  15.24) =   0.000%
          QB    ALA  120 - HA    LEU  115   7.50 +/- 0.25   0.066% *  0.0708% (0.72   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ARG+  54  11.17 +/- 1.30   0.010% *  0.3972% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ARG+  54  10.94 +/- 1.26   0.010% *  0.1413% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU- 114   7.51 +/- 0.42   0.069% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU  115   8.04 +/- 1.28   0.060% *  0.0182% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    LEU  115  14.89 +/- 3.05   0.002% *  0.3358% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    LEU  115  16.17 +/- 1.22   0.001% *  0.8095% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU- 114   8.17 +/- 2.20   0.109% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    LEU  115  14.48 +/- 1.10   0.001% *  0.2521% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ARG+  54  13.63 +/- 2.60   0.004% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ARG+  54  19.53 +/- 3.21   0.007% *  0.0102% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ARG+  54  16.43 +/- 1.91   0.002% *  0.0397% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    GLU- 114  19.04 +/- 1.51   0.000% *  0.2215% (0.23   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    LEU  115  19.89 +/- 1.01   0.000% *  0.2786% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    ARG+  54  19.95 +/- 2.15   0.000% *  0.1883% (0.19   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    ARG+  54  22.86 +/- 1.97   0.000% *  0.4539% (0.46   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    GLU- 114  17.34 +/- 1.36   0.001% *  0.0690% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU  115  16.60 +/- 1.41   0.001% *  0.0495% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  115  14.69 +/- 0.86   0.001% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ARG+  54  21.43 +/- 1.93   0.000% *  0.1413% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ARG+  54  14.85 +/- 1.77   0.001% *  0.0127% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU- 114  18.34 +/- 3.50   0.001% *  0.0092% (0.09   1.0  1.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    GLU- 114  23.22 +/- 1.23   0.000% *  0.0762% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ARG+  54  18.90 +/- 1.92   0.000% *  0.0156% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU- 114  20.90 +/- 1.83   0.000% *  0.0136% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU- 114  18.70 +/- 1.04   0.000% *  0.0062% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1460 (0.43, 4.12, 59.41 ppm):
    6 chemical-shift based assignments, quality = 0.829, support = 6.15, residual support = 225.4:
    *   T QD1   LEU  115 - HA    LEU  115   3.88 +/- 0.34  93.849% * 78.0672% (0.84 10.00   6.17 227.54) =  98.998%  kept
        T QD1   LEU  115 - HA    GLU- 114   6.86 +/- 0.22   3.419% * 21.3596% (0.23 10.00   4.46  15.24) =   0.987%  kept
        T QD1   LEU  115 - HA    ARG+  54   7.92 +/- 1.17   2.482% *  0.4377% (0.47 10.00   0.02   0.02) =   0.015%
          QG1   VAL   75 - HA    ARG+  54  12.54 +/- 1.74   0.148% *  0.0414% (0.44  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    LEU  115  14.11 +/- 1.40   0.080% *  0.0738% (0.79  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    GLU- 114  17.03 +/- 1.58   0.021% *  0.0202% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.13 A, kept.
 
    Peak 1461 (0.59, 4.12, 59.41 ppm):
    21 chemical-shift based assignments, quality = 0.799, support = 7.38, residual support = 224.9:
    *   T QD2   LEU  115 - HA    LEU  115   3.15 +/- 0.34  88.998% * 77.6784% (0.81 10.00   7.41 227.54) =  98.735%  kept
        T QD2   LEU  115 - HA    GLU- 114   5.73 +/- 0.58   4.146% * 21.2532% (0.22 10.00   4.45  15.24) =   1.259%  kept
          QD1   LEU   63 - HA    LEU  115   5.97 +/- 1.64   4.402% *  0.0761% (0.79  1.00   0.02   0.02) =   0.005%
        T QD2   LEU  115 - HA    ARG+  54   9.67 +/- 1.04   0.142% *  0.4355% (0.45 10.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HA    LEU  115   7.05 +/- 1.75   1.749% *  0.0302% (0.31  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HA    ARG+  54  10.85 +/- 1.33   0.110% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    GLU- 114   9.58 +/- 1.78   0.175% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    LEU  115  11.92 +/- 1.11   0.046% *  0.0615% (0.64  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    GLU- 114  10.22 +/- 1.94   0.125% *  0.0083% (0.09  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    ARG+  54  12.76 +/- 1.47   0.037% *  0.0169% (0.18  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    LEU  115  15.45 +/- 0.80   0.008% *  0.0761% (0.79  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    ARG+  54  15.55 +/- 2.05   0.012% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLU- 114  13.30 +/- 1.31   0.020% *  0.0168% (0.17  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    ARG+  54  16.69 +/- 1.65   0.006% *  0.0427% (0.44  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  115  17.93 +/- 1.66   0.004% *  0.0761% (0.79  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    ARG+  54  16.48 +/- 2.27   0.009% *  0.0139% (0.14  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  115  17.13 +/- 1.37   0.005% *  0.0248% (0.26  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ARG+  54  19.47 +/- 2.48   0.003% *  0.0345% (0.36  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLU- 114  18.55 +/- 0.90   0.002% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLU- 114  21.00 +/- 1.93   0.001% *  0.0208% (0.22  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLU- 114  19.83 +/- 1.43   0.002% *  0.0068% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.21 A, kept.
 
    Peak 1462 (4.12, 1.98, 42.01 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 6.17, residual support = 227.5:
    * O T HA    LEU  115 - HB2   LEU  115   2.85 +/- 0.14  98.256% * 98.0930% (0.84  10.0 10.00   6.17 227.54) =  99.993%  kept
        T HA    GLU- 114 - HB2   LEU  115   5.62 +/- 0.13   1.707% *  0.4006% (0.34   1.0 10.00   0.02  15.24) =   0.007%
        T HA    ARG+  54 - HB2   LEU  115  11.27 +/- 1.19   0.034% *  1.0841% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   LEU  115  17.92 +/- 0.63   0.002% *  0.0981% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   LEU  115  24.94 +/- 1.36   0.000% *  0.1019% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   LEU  115  24.22 +/- 1.28   0.000% *  0.0807% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   LEU  115  23.10 +/- 1.06   0.000% *  0.0572% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   LEU  115  23.78 +/- 1.40   0.000% *  0.0483% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   LEU  115  30.37 +/- 1.18   0.000% *  0.0362% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.399, support = 6.16, residual support = 227.5:
      O T HB3   LEU  115 - HB2   LEU  115   1.75 +/- 0.00  93.581% * 25.8976% (0.31  10.0 10.00   6.14 227.54) =  83.859%  kept
    * O T HG    LEU  115 - HB2   LEU  115   2.83 +/- 0.27   6.409% * 72.7830% (0.87  10.0 10.00   6.22 227.54) =  16.141%  kept
          QB    ALA  120 - HB2   LEU  115   8.74 +/- 0.44   0.006% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HB2   LEU  115  18.38 +/- 1.27   0.000% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  115  10.43 +/- 1.27   0.003% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU  115  16.71 +/- 1.23   0.000% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU  115  16.92 +/- 1.81   0.000% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU  115  16.35 +/- 2.43   0.000% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  115  14.80 +/- 1.13   0.000% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  115  20.72 +/- 1.42   0.000% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1465 (0.43, 1.98, 42.01 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 227.5:
    * O T QD1   LEU  115 - HB2   LEU  115   2.41 +/- 0.22  99.996% * 99.9055% (1.00  10.0 10.00   6.00 227.54) = 100.000%  kept
          QG1   VAL   75 - HB2   LEU  115  14.53 +/- 1.67   0.004% *  0.0945% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1466 (0.59, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 227.5:
    * O T QD2   LEU  115 - HB2   LEU  115   2.61 +/- 0.40  99.396% * 99.5578% (0.97  10.0 10.00   7.24 227.54) =  99.999%  kept
          QD1   LEU   63 - HB2   LEU  115   7.18 +/- 1.34   0.440% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU  115   8.38 +/- 1.49   0.153% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   LEU  115  14.05 +/- 1.13   0.006% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   LEU  115  16.61 +/- 1.15   0.003% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  115  18.41 +/- 1.83   0.001% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  115  17.88 +/- 1.48   0.001% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1467 (4.12, 1.48, 26.92 ppm):
    18 chemical-shift based assignments, quality = 0.724, support = 6.13, residual support = 227.5:
    * O T HA    LEU  115 - HG    LEU  115   3.28 +/- 0.51  96.913% * 97.1402% (0.72  10.0 10.00   6.14 227.54) =  99.990%  kept
        T HA    GLU- 114 - HG    LEU  115   6.92 +/- 0.54   2.114% *  0.3967% (0.30   1.0 10.00   0.02  15.24) =   0.009%
        T HA    ARG+  54 - HG    LEU  115  11.17 +/- 1.30   0.103% *  1.0736% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HA    ALA   34 - HG    LEU   40   8.65 +/- 0.74   0.463% *  0.0271% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG    LEU   40  14.48 +/- 1.10   0.020% *  0.3299% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU   40   9.50 +/- 1.22   0.266% *  0.0192% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU   40  13.56 +/- 4.15   0.060% *  0.0330% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HG    LEU   40  17.34 +/- 1.36   0.006% *  0.1347% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG    LEU   40  21.43 +/- 1.93   0.002% *  0.3646% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU  115  16.36 +/- 1.06   0.008% *  0.0971% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU   40  14.32 +/- 0.95   0.020% *  0.0343% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   40  14.25 +/- 0.48   0.020% *  0.0122% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG    LEU  115  23.04 +/- 1.37   0.001% *  0.0799% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU  115  24.39 +/- 1.70   0.001% *  0.1009% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU  115  22.53 +/- 1.60   0.001% *  0.0566% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU  115  24.10 +/- 2.21   0.001% *  0.0478% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   40  23.77 +/- 1.57   0.001% *  0.0162% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU  115  29.25 +/- 1.40   0.000% *  0.0359% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1468 (1.98, 1.48, 26.92 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 6.22, residual support = 227.5:
    * O T HB2   LEU  115 - HG    LEU  115   2.83 +/- 0.27  97.847% * 98.2266% (0.87  10.0 10.00   6.22 227.54) =  99.998%  kept
        T HB2   LEU   67 - HG    LEU   40   8.90 +/- 2.42   0.434% *  0.2671% (0.24   1.0 10.00   0.02   0.02) =   0.001%
          HG3   PRO   58 - HG    LEU  115   7.23 +/- 1.05   0.569% *  0.0980% (0.87   1.0  1.00   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG    LEU  115   6.37 +/- 0.65   1.002% *  0.0303% (0.27   1.0  1.00   0.02  15.24) =   0.000%
        T HB2   LEU   67 - HG    LEU  115  13.83 +/- 1.89   0.013% *  0.7865% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HG    LEU   40  16.71 +/- 1.23   0.003% *  0.3336% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   40  10.70 +/- 1.53   0.056% *  0.0150% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU  115  12.72 +/- 1.27   0.020% *  0.0273% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU  115  14.82 +/- 1.79   0.007% *  0.0517% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU   40  11.86 +/- 1.34   0.027% *  0.0125% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU  115  16.45 +/- 2.28   0.005% *  0.0440% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU   40  13.73 +/- 1.55   0.011% *  0.0176% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU  115  18.71 +/- 1.48   0.002% *  0.0369% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   40  15.47 +/- 1.24   0.005% *  0.0103% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   40  19.67 +/- 1.97   0.001% *  0.0333% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU   40  23.43 +/- 2.36   0.000% *  0.0093% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1469 (1.48, 1.48, 26.92 ppm):
    2 diagonal assignments:
    *     HG    LEU  115 - HG    LEU  115  (0.75)  kept
          HG    LEU   40 - HG    LEU   40  (0.09)  kept
 
    Peak 1470 (0.43, 1.48, 26.92 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.97, residual support = 227.5:
    * O T QD1   LEU  115 - HG    LEU  115   2.11 +/- 0.02  99.996% * 99.5358% (0.87  10.0 10.00   5.97 227.54) = 100.000%  kept
        T QD1   LEU  115 - HG    LEU   40  13.81 +/- 1.37   0.002% *  0.3381% (0.29   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HG    LEU  115  14.51 +/- 1.53   0.001% *  0.0942% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HG    LEU   40  13.72 +/- 1.11   0.002% *  0.0320% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1471 (0.59, 1.48, 26.92 ppm):
    14 chemical-shift based assignments, quality = 0.837, support = 7.18, residual support = 227.5:
    * O T QD2   LEU  115 - HG    LEU  115   2.10 +/- 0.01  95.688% * 99.0740% (0.84  10.0 10.00   7.18 227.54) =  99.998%  kept
          QD1   LEU  104 - HG    LEU   40   4.74 +/- 1.43   3.256% *  0.0266% (0.23   1.0  1.00   0.02   0.02) =   0.001%
          QD1   LEU   63 - HG    LEU  115   5.92 +/- 1.65   0.535% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG    LEU  115   6.99 +/- 1.93   0.308% *  0.0385% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HG    LEU   40   7.77 +/- 1.08   0.054% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG    LEU   40   7.11 +/- 1.54   0.125% *  0.0131% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU   40   8.57 +/- 0.98   0.028% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HG    LEU   40  13.34 +/- 1.13   0.002% *  0.3365% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG    LEU  115  13.41 +/- 1.58   0.002% *  0.0785% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU  115  15.94 +/- 1.35   0.001% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  115  18.18 +/- 1.89   0.000% *  0.0971% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   40  15.49 +/- 2.51   0.001% *  0.0330% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU   40  14.44 +/- 1.88   0.001% *  0.0108% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  115  17.82 +/- 1.95   0.000% *  0.0317% (0.27   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1472 (4.12, 0.43, 25.13 ppm):
    9 chemical-shift based assignments, quality = 0.828, support = 6.14, residual support = 224.4:
    *   T HA    LEU  115 - QD1   LEU  115   3.88 +/- 0.34  94.026% * 70.2377% (0.84 10.00   6.17 227.54) =  98.505%  kept
        T HA    GLU- 114 - QD1   LEU  115   6.86 +/- 0.22   3.428% * 28.6837% (0.34 10.00   4.46  15.24) =   1.466%  kept
        T HA    ARG+  54 - QD1   LEU  115   7.92 +/- 1.17   2.488% *  0.7762% (0.92 10.00   0.02   0.02) =   0.029%
          HA    ALA  124 - QD1   LEU  115  14.95 +/- 0.80   0.031% *  0.0702% (0.84  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD1   LEU  115  20.40 +/- 1.36   0.005% *  0.0729% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QD1   LEU  115  19.74 +/- 1.31   0.006% *  0.0578% (0.69  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD1   LEU  115  19.60 +/- 1.47   0.006% *  0.0409% (0.49  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD1   LEU  115  19.29 +/- 1.61   0.007% *  0.0346% (0.41  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD1   LEU  115  25.00 +/- 1.29   0.001% *  0.0260% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.55 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 = 227.5:
    * O T HB2   LEU  115 - QD1   LEU  115   2.41 +/- 0.22  95.786% * 99.6279% (1.00  10.0 10.00   6.00 227.54) =  99.996%  kept
          HG3   PRO   58 - QD1   LEU  115   4.86 +/- 1.29   3.592% *  0.0994% (1.00   1.0  1.00   0.02   0.02) =   0.004%
          QB    GLU- 114 - QD1   LEU  115   5.95 +/- 0.47   0.536% *  0.0307% (0.31   1.0  1.00   0.02  15.24) =   0.000%
          HB2   LEU   67 - QD1   LEU  115  12.00 +/- 1.35   0.020% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD1   LEU  115   9.16 +/- 1.28   0.044% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   LEU  115  11.89 +/- 1.54   0.014% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   LEU  115  14.44 +/- 2.03   0.004% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD1   LEU  115  15.46 +/- 1.38   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1474 (1.48, 0.43, 25.13 ppm):
    10 chemical-shift based assignments, quality = 0.777, support = 6.0, residual support = 227.5:
    * O T HG    LEU  115 - QD1   LEU  115   2.11 +/- 0.02  64.650% * 72.7830% (0.87  10.0 10.00   5.97 227.54) =  83.730%  kept
      O T HB3   LEU  115 - QD1   LEU  115   2.35 +/- 0.13  35.306% * 25.8976% (0.31  10.0 10.00   6.14 227.54) =  16.270%  kept
          QB    ALA  120 - QD1   LEU  115   7.95 +/- 0.49   0.025% *  0.0728% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD1   LEU  115  15.11 +/- 1.34   0.001% *  0.8316% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD1   LEU  115  13.81 +/- 1.37   0.001% *  0.2590% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  115   9.86 +/- 0.96   0.007% *  0.0187% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  115  10.69 +/- 1.13   0.005% *  0.0233% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   LEU  115  12.81 +/- 1.97   0.003% *  0.0345% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU  115  12.85 +/- 1.33   0.002% *  0.0509% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  115  16.45 +/- 1.16   0.000% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1475 (0.43, 0.43, 25.13 ppm):
    1 diagonal assignment:
    *     QD1   LEU  115 - QD1   LEU  115  (1.00)  kept
 
    Peak 1476 (0.59, 0.43, 25.13 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 227.5:
    * O T QD2   LEU  115 - QD1   LEU  115   2.03 +/- 0.06  97.958% * 99.5578% (0.97  10.0 10.00   7.24 227.54) =  99.999%  kept
          QD1   LEU   63 - QD1   LEU  115   5.32 +/- 1.10   1.136% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.001%
          QD2   LEU   63 - QD1   LEU  115   6.50 +/- 1.42   0.900% *  0.0387% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - QD1   LEU  115  12.12 +/- 1.29   0.003% *  0.0788% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - QD1   LEU  115  13.31 +/- 1.19   0.001% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   LEU  115  14.68 +/- 1.55   0.001% *  0.0976% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   LEU  115  14.52 +/- 1.53   0.001% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1477 (4.12, 0.59, 23.43 ppm):
    9 chemical-shift based assignments, quality = 0.797, support = 7.36, residual support = 223.4:
    *   T HA    LEU  115 - QD2   LEU  115   3.15 +/- 0.34  95.230% * 70.2377% (0.81 10.00   7.41 227.54) =  98.068%  kept
        T HA    GLU- 114 - QD2   LEU  115   5.73 +/- 0.58   4.590% * 28.6837% (0.33 10.00   4.45  15.24) =   1.930%  kept
        T HA    ARG+  54 - QD2   LEU  115   9.67 +/- 1.04   0.153% *  0.7762% (0.89 10.00   0.02   0.02) =   0.002%
          HA    ALA  124 - QD2   LEU  115  13.13 +/- 0.58   0.021% *  0.0702% (0.81  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QD2   LEU  115  19.67 +/- 1.16   0.002% *  0.0578% (0.66  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QD2   LEU  115  21.13 +/- 1.06   0.001% *  0.0729% (0.84  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD2   LEU  115  19.37 +/- 1.01   0.002% *  0.0409% (0.47  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD2   LEU  115  21.01 +/- 1.33   0.001% *  0.0346% (0.40  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD2   LEU  115  24.85 +/- 1.12   0.000% *  0.0260% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.22 A, kept.
 
    Peak 1478 (1.98, 0.59, 23.43 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 227.5:
    * O T HB2   LEU  115 - QD2   LEU  115   2.61 +/- 0.40  92.654% * 99.6279% (0.97  10.0 10.00   7.24 227.54) =  99.993%  kept
          HG3   PRO   58 - QD2   LEU  115   5.48 +/- 1.41   5.984% *  0.0994% (0.96   1.0  1.00   0.02   0.02) =   0.006%
          QB    GLU- 114 - QD2   LEU  115   5.59 +/- 0.54   1.279% *  0.0307% (0.30   1.0  1.00   0.02  15.24) =   0.000%
          HB2   LEU   67 - QD2   LEU  115  11.55 +/- 1.07   0.021% *  0.0798% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD2   LEU  115  13.52 +/- 2.45   0.022% *  0.0447% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  115  10.98 +/- 0.92   0.024% *  0.0277% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD2   LEU  115  12.73 +/- 1.55   0.013% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QD2   LEU  115  16.05 +/- 0.99   0.003% *  0.0374% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1479 (1.48, 0.59, 23.43 ppm):
    10 chemical-shift based assignments, quality = 0.806, support = 7.19, residual support = 227.5:
    * O T HG    LEU  115 - QD2   LEU  115   2.10 +/- 0.01  84.937% * 72.7830% (0.84  10.0 10.00   7.18 227.54) =  94.137%  kept
      O T HB3   LEU  115 - QD2   LEU  115   2.95 +/- 0.39  14.866% * 25.8976% (0.30  10.0 10.00   7.35 227.54) =   5.863%  kept
          QB    ALA  120 - QD2   LEU  115   6.07 +/- 0.36   0.155% *  0.0728% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD2   LEU  115  14.52 +/- 1.16   0.001% *  0.8316% (0.96   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  115   8.12 +/- 0.96   0.030% *  0.0187% (0.21   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD2   LEU  115  13.34 +/- 1.13   0.001% *  0.2590% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  115  10.62 +/- 1.12   0.006% *  0.0233% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU  115  12.16 +/- 1.69   0.003% *  0.0345% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  115  14.06 +/- 1.15   0.001% *  0.0509% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  115  17.20 +/- 0.91   0.000% *  0.0286% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1480 (0.43, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 227.5:
    * O T QD1   LEU  115 - QD2   LEU  115   2.03 +/- 0.06  99.998% * 99.9055% (0.97  10.0 10.00   7.24 227.54) = 100.000%  kept
          QG1   VAL   75 - QD2   LEU  115  12.85 +/- 1.08   0.002% *  0.0945% (0.91   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1481 (0.59, 0.59, 23.43 ppm):
    1 diagonal assignment:
    *     QD2   LEU  115 - QD2   LEU  115  (0.93)  kept
 
    Peak 1482 (4.01, 4.01, 60.31 ppm):
    1 diagonal assignment:
    *     HA    GLN  116 - HA    GLN  116  (1.00)  kept
 
    Peak 1483 (2.37, 4.01, 60.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 123.6:
    * O T HB2   GLN  116 - HA    GLN  116   2.94 +/- 0.08  98.135% * 98.6426% (1.00  10.0 10.00   5.31 123.65) =  99.999%  kept
          HB2   PRO   58 - HA    GLN  116   7.69 +/- 2.06   1.848% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   97 - HA    GLN  116  13.05 +/- 1.17   0.015% *  0.0952% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLN  116  23.00 +/- 1.34   0.000% *  0.9669% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLN   32 - HA    GLN  116  27.32 +/- 1.17   0.000% *  0.1952% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN  116  24.50 +/- 1.95   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1484 (2.54, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.24, residual support = 123.6:
    * O T HG2   GLN  116 - HA    GLN  116   2.43 +/- 0.46  99.954% * 99.8732% (1.00  10.0 10.00   5.24 123.65) = 100.000%  kept
          HB3   PHE   95 - HA    GLN  116  10.15 +/- 0.98   0.046% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    GLN  116  31.67 +/- 1.15   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1485 (4.01, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 123.6:
    * O T HA    GLN  116 - HB2   GLN  116   2.94 +/- 0.08  99.996% * 98.1197% (1.00  10.0 10.00   5.31 123.65) = 100.000%  kept
          HA    VAL   70 - HB2   GLN  116  20.12 +/- 1.14   0.001% *  0.0981% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   GLN  116  19.77 +/- 1.44   0.001% *  0.0674% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   GLN  116  30.74 +/- 1.15   0.000% *  0.8511% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   GLN  116  31.78 +/- 0.95   0.000% *  0.7125% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   GLN  116  20.52 +/- 1.55   0.001% *  0.0194% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLN  116  22.69 +/- 2.21   0.001% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   GLN  116  27.94 +/- 1.43   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLN  116  30.74 +/- 1.38   0.000% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.82, residual support = 123.6:
    * O T HG2   GLN  116 - HB2   GLN  116   2.72 +/- 0.18  99.981% * 99.8732% (1.00  10.0 10.00   5.82 123.65) = 100.000%  kept
          HB3   PHE   95 - HB2   GLN  116  11.91 +/- 0.91   0.019% *  0.0990% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   GLN  116  33.46 +/- 1.31   0.000% *  0.0278% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.19 A, kept.
 
    Peak 1488 (4.01, 2.54, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.24, residual support = 123.6:
    * O T HA    GLN  116 - HG2   GLN  116   2.43 +/- 0.46  99.997% * 99.5202% (1.00  10.0 10.00   5.24 123.65) = 100.000%  kept
          HA    VAL   70 - HG2   GLN  116  19.30 +/- 1.35   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   GLN  116  18.54 +/- 1.52   0.001% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   GLN  116  18.95 +/- 1.65   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLN  116  22.18 +/- 2.17   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   GLN  116  27.27 +/- 1.70   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   GLN  116  30.20 +/- 1.53   0.000% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   GLN  116  31.34 +/- 1.30   0.000% *  0.0723% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLN  116  30.60 +/- 1.63   0.000% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1489 (2.37, 2.54, 34.75 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.82, residual support = 123.6:
    * O T HB2   GLN  116 - HG2   GLN  116   2.72 +/- 0.18  97.642% * 99.6852% (1.00  10.0 10.00   5.82 123.65) =  99.999%  kept
          HB2   PRO   58 - HG2   GLN  116   7.53 +/- 2.57   2.354% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.001%
          HB3   PHE   97 - HG2   GLN  116  15.05 +/- 1.18   0.004% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   GLN  116  25.05 +/- 1.33   0.000% *  0.0977% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLN  116  25.26 +/- 2.06   0.000% *  0.0447% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLN  116  28.96 +/- 1.30   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.19 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 = 1.19, residual support = 15.0:
    * O T QB    SER  117 - HA    SER  117   2.39 +/- 0.11  99.162% * 98.0631% (1.00  10.0 10.00   1.19  15.05) = 100.000%  kept
          HA    LYS+ 121 - HA    SER  117   6.64 +/- 0.69   0.325% *  0.0819% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER  117   5.89 +/- 0.35   0.507% *  0.0403% (0.41   1.0  1.00   0.02   5.51) =   0.000%
          HA    PHE   60 - HA    SER  117  13.19 +/- 0.74   0.004% *  0.0595% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER  117  21.88 +/- 2.09   0.000% *  0.8795% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER  117  16.23 +/- 1.33   0.001% *  0.0749% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    SER  117  23.90 +/- 2.00   0.000% *  0.6344% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER  117  27.12 +/- 1.19   0.000% *  0.1513% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER  117  21.68 +/- 1.16   0.000% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1493 (4.24, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 1.19, residual support = 15.0:
    * O T HA    SER  117 - QB    SER  117   2.39 +/- 0.11  99.923% * 99.1287% (1.00  10.0 10.00   1.19  15.05) = 100.000%  kept
        T HA1   GLY   51 - QB    SER   48   8.93 +/- 0.98   0.058% *  0.0398% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER  117  13.29 +/- 0.77   0.004% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  13.97 +/- 0.65   0.003% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  18.90 +/- 1.95   0.001% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  12.89 +/- 2.15   0.008% *  0.0097% (0.10   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   48  23.90 +/- 2.00   0.000% *  0.2578% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   48  16.72 +/- 2.29   0.001% *  0.0206% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   85  15.02 +/- 0.81   0.002% *  0.0122% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  19.28 +/- 2.38   0.001% *  0.0236% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   85  27.12 +/- 1.19   0.000% *  0.1530% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER  117  25.47 +/- 1.90   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   48  19.94 +/- 1.80   0.000% *  0.0146% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  20.75 +/- 2.02   0.000% *  0.0057% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   85  26.11 +/- 0.99   0.000% *  0.0087% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.62, residual support = 254.3:
    * O T HB    ILE  119 - HA    ILE  119   3.00 +/- 0.02  99.870% * 99.2403% (0.87  10.0 10.00   6.62 254.29) = 100.000%  kept
          HB3   PRO   68 - HA    ILE  119  13.00 +/- 2.40   0.036% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE  119  12.14 +/- 1.70   0.033% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    ILE  119  12.94 +/- 0.75   0.016% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    ILE  119  16.87 +/- 2.38   0.011% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    ILE  119  13.81 +/- 2.12   0.021% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ILE  119  16.32 +/- 1.79   0.005% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ILE  119  16.95 +/- 1.47   0.003% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ILE  119  19.77 +/- 1.83   0.001% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ILE  119  20.19 +/- 1.75   0.001% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ILE  119  21.74 +/- 1.78   0.001% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ILE  119  27.59 +/- 1.60   0.000% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1499 (0.96, 3.69, 66.88 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.94, residual support = 254.3:
    * O T QG2   ILE  119 - HA    ILE  119   2.56 +/- 0.08  99.388% * 99.7168% (1.00  10.0 10.00   6.94 254.29) = 100.000%  kept
          QD1   LEU   67 - HA    ILE  119   8.39 +/- 3.51   0.517% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  119  14.15 +/- 2.13   0.012% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    ILE  119   9.58 +/- 1.56   0.055% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    ILE  119  10.99 +/- 1.16   0.020% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    ILE  119  13.51 +/- 1.33   0.006% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  119  16.78 +/- 1.51   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1500 (2.26, 3.69, 66.88 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.72, residual support = 254.3:
    * O T HG12  ILE  119 - HA    ILE  119   2.61 +/- 0.19  99.614% * 99.4466% (1.00  10.0 10.00   6.72 254.29) = 100.000%  kept
          HB2   ASP- 105 - HA    ILE  119   7.26 +/- 1.19   0.362% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ILE  119  12.63 +/- 1.33   0.009% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ILE  119  12.71 +/- 1.46   0.009% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    ILE  119  16.31 +/- 2.10   0.002% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ILE  119  17.54 +/- 1.74   0.001% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    ILE  119  19.53 +/- 1.75   0.001% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ILE  119  21.67 +/- 0.92   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ILE  119  25.68 +/- 1.54   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ILE  119  22.21 +/- 1.47   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    ILE  119  26.72 +/- 2.18   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1501 (1.12, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.04, residual support = 254.3:
    * O T HG13  ILE  119 - HA    ILE  119   2.91 +/- 0.58  90.379% * 99.6771% (1.00  10.0 10.00   6.04 254.29) =  99.998%  kept
          QG1   VAL  107 - HA    ILE  119   4.92 +/- 0.65   7.973% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HA    ILE  119   7.37 +/- 0.27   0.562% *  0.0308% (0.31   1.0  1.00   0.02   2.06) =   0.000%
          QG2   VAL  107 - HA    ILE  119   6.74 +/- 0.59   1.005% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ILE  119  11.77 +/- 1.66   0.074% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    ILE  119  17.44 +/- 1.25   0.004% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    ILE  119  20.91 +/- 1.74   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HA    ILE  119  19.37 +/- 1.63   0.002% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1502 (1.02, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 6.04, residual support = 254.3:
    *   T QD1   ILE  119 - HA    ILE  119   3.29 +/- 0.62  99.619% * 99.2846% (0.97 10.00   6.04 254.29) = 100.000%  kept
          HB2   LEU  104 - HA    ILE  119  10.25 +/- 1.75   0.232% *  0.0747% (0.73  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    ILE  119  10.60 +/- 0.77   0.142% *  0.0582% (0.57  1.00   0.02   0.02) =   0.000%
        T HB    VAL   75 - HA    ILE  119  17.88 +/- 1.68   0.007% *  0.5824% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.31 A, kept.
 
    Peak 1503 (3.69, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.58, residual support = 249.4:
    * O T HA    ILE  119 - HB    ILE  119   3.00 +/- 0.02  97.681% * 50.8167% (0.87  10.0 10.00   6.62 254.29) =  97.776%  kept
        T HA    THR  118 - HB    ILE  119   5.60 +/- 0.07   2.302% * 49.0416% (0.84   1.0 10.00   4.78  34.40) =   2.224%  kept
          HA2   GLY  109 - HB    ILE  119  13.79 +/- 1.59   0.015% *  0.0369% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    ILE  119  23.23 +/- 1.70   0.001% *  0.0504% (0.86   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    ILE  119  23.86 +/- 1.17   0.000% *  0.0456% (0.78   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    ILE  119  20.92 +/- 1.30   0.001% *  0.0089% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 254.3:
    * O T QG2   ILE  119 - HB    ILE  119   2.11 +/- 0.02  99.967% * 99.7168% (0.87  10.0 10.00   6.31 254.29) = 100.000%  kept
          QD1   LEU   67 - HB    ILE  119  10.14 +/- 2.92   0.025% *  0.0197% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  119  16.19 +/- 1.99   0.001% *  0.0865% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB    ILE  119  15.18 +/- 0.99   0.001% *  0.0943% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  119  11.84 +/- 1.34   0.004% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB    ILE  119  12.63 +/- 0.88   0.002% *  0.0277% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  119  18.10 +/- 1.57   0.000% *  0.0374% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1506 (2.26, 2.03, 38.31 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 5.85, residual support = 254.3:
    * O T HG12  ILE  119 - HB    ILE  119   2.58 +/- 0.14  99.912% * 99.4466% (0.87  10.0 10.00   5.85 254.29) = 100.000%  kept
          HB2   ASP- 105 - HB    ILE  119   8.96 +/- 1.11   0.076% *  0.0307% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB    ILE  119  14.67 +/- 1.12   0.004% *  0.0760% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB    ILE  119  14.34 +/- 1.27   0.004% *  0.0643% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB    ILE  119  17.38 +/- 2.14   0.001% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB    ILE  119  18.03 +/- 1.75   0.001% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB    ILE  119  21.13 +/- 1.56   0.000% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HB    ILE  119  22.37 +/- 1.06   0.000% *  0.0831% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB    ILE  119  28.09 +/- 1.15   0.000% *  0.0796% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB    ILE  119  23.45 +/- 1.61   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HB    ILE  119  28.45 +/- 1.78   0.000% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1507 (1.12, 2.03, 38.31 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 5.44, residual support = 254.3:
    * O T HG13  ILE  119 - HB    ILE  119   2.72 +/- 0.38  96.636% * 99.4020% (0.87  10.0 10.00   5.44 254.29) =  99.995%  kept
        T QG1   VAL  107 - HB    ILE  119   5.34 +/- 0.68   2.514% *  0.1534% (0.13   1.0 10.00   0.02   0.02) =   0.004%
        T QG2   VAL  107 - HB    ILE  119   6.74 +/- 0.70   0.613% *  0.1534% (0.13   1.0 10.00   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HB    ILE  119   9.80 +/- 1.61   0.099% *  0.0523% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB    ILE  119   8.53 +/- 0.33   0.136% *  0.0307% (0.27   1.0  1.00   0.02   2.06) =   0.000%
          QB    ALA   20 - HB    ILE  119  18.83 +/- 1.19   0.001% *  0.0683% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    ILE  119  23.48 +/- 1.36   0.000% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    ILE  119  21.05 +/- 1.59   0.001% *  0.0409% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1508 (1.02, 2.03, 38.31 ppm):
    4 chemical-shift based assignments, quality = 0.837, support = 5.44, residual support = 254.3:
    * O T QD1   ILE  119 - HB    ILE  119   2.60 +/- 0.40  99.959% * 99.2846% (0.84  10.0 10.00   5.44 254.29) = 100.000%  kept
        T QG2   VAL  108 - HB    ILE  119  11.15 +/- 0.83   0.027% *  0.5824% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    ILE  119  12.63 +/- 1.51   0.014% *  0.0747% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  119  19.56 +/- 1.56   0.001% *  0.0582% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1509 (3.69, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.93, residual support = 253.0:
    * O T HA    ILE  119 - QG2   ILE  119   2.56 +/- 0.08  99.395% * 50.8167% (1.00  10.0 10.00   6.94 254.29) =  99.424%  kept
        T HA    THR  118 - QG2   ILE  119   6.02 +/- 0.05   0.597% * 49.0416% (0.97   1.0 10.00   4.53  34.40) =   0.576%  kept
          HA2   GLY  109 - QG2   ILE  119  13.10 +/- 1.15   0.007% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   ILE  119  19.93 +/- 1.41   0.000% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   ILE  119  20.53 +/- 1.16   0.000% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   ILE  119  17.43 +/- 1.26   0.001% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1510 (2.03, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.31, residual support = 254.3:
    * O T HB    ILE  119 - QG2   ILE  119   2.11 +/- 0.02  99.964% * 99.2403% (0.87  10.0 10.00   6.31 254.29) = 100.000%  kept
          HB3   PRO   68 - QG2   ILE  119  10.70 +/- 2.30   0.018% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE  119  10.75 +/- 0.93   0.007% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - QG2   ILE  119  12.68 +/- 0.61   0.002% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG2   ILE  119  12.57 +/- 1.78   0.004% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   ILE  119  13.92 +/- 1.43   0.002% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE  119  13.64 +/- 1.42   0.002% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   ILE  119  14.07 +/- 1.43   0.001% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   ILE  119  18.37 +/- 1.60   0.000% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   ILE  119  18.39 +/- 1.53   0.000% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   ILE  119  19.53 +/- 1.56   0.000% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE  119  24.55 +/- 1.35   0.000% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.17, residual support = 254.3:
    * O T HG12  ILE  119 - QG2   ILE  119   3.18 +/- 0.07  99.514% * 99.4466% (1.00  10.0 10.00   6.17 254.29) = 100.000%  kept
          HB2   ASP- 105 - QG2   ILE  119   8.47 +/- 0.89   0.341% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - QG2   ILE  119  11.41 +/- 1.33   0.058% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - QG2   ILE  119  11.92 +/- 1.41   0.045% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   ILE  119  13.73 +/- 1.66   0.021% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   ILE  119  15.68 +/- 1.68   0.009% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE  119  16.40 +/- 1.56   0.007% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   ILE  119  19.43 +/- 0.89   0.002% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   ILE  119  22.95 +/- 1.33   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   ILE  119  19.58 +/- 1.37   0.002% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE  119  22.43 +/- 1.66   0.001% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1513 (1.12, 0.96, 17.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 254.3:
    * O T HG13  ILE  119 - QG2   ILE  119   2.57 +/- 0.21  98.355% * 99.6771% (1.00  10.0 10.00   5.75 254.29) = 100.000%  kept
          QG1   VAL  107 - QG2   ILE  119   5.72 +/- 0.51   1.035% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   ILE  119   9.21 +/- 1.58   0.123% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   ILE  119   6.85 +/- 0.57   0.343% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   ILE  119   7.77 +/- 0.25   0.140% *  0.0308% (0.31   1.0  1.00   0.02   2.06) =   0.000%
          QB    ALA   20 - QG2   ILE  119  15.15 +/- 1.10   0.003% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   ILE  119  19.41 +/- 1.52   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   ILE  119  17.67 +/- 1.40   0.001% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1514 (1.02, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.75, residual support = 254.3:
    *   T QD1   ILE  119 - QG2   ILE  119   1.90 +/- 0.17  99.991% * 99.8078% (0.97 10.00   5.75 254.29) = 100.000%  kept
          HB2   LEU  104 - QG2   ILE  119  10.84 +/- 1.44   0.005% *  0.0751% (0.73  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   ILE  119  10.51 +/- 0.63   0.004% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - QG2   ILE  119  16.44 +/- 1.44   0.000% *  0.0586% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1515 (3.69, 2.26, 30.83 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.7, residual support = 251.6:
    * O T HA    ILE  119 - HG12  ILE  119   2.61 +/- 0.19  98.707% * 50.8167% (1.00  10.0 10.00   6.72 254.29) =  98.764%  kept
        T HA    THR  118 - HG12  ILE  119   5.47 +/- 0.14   1.280% * 49.0416% (0.97   1.0 10.00   5.34  34.40) =   1.236%  kept
          HA2   GLY  109 - HG12  ILE  119  12.43 +/- 0.98   0.011% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG12  ILE  119  21.22 +/- 1.61   0.000% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG12  ILE  119  21.48 +/- 1.21   0.000% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG12  ILE  119  18.56 +/- 1.35   0.001% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1516 (2.03, 2.26, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.85, residual support = 254.3:
    * O T HB    ILE  119 - HG12  ILE  119   2.58 +/- 0.14  99.907% * 98.6651% (0.87  10.0 10.00   5.85 254.29) = 100.000%  kept
        T HB2   ARG+  54 - HG12  ILE  119  14.83 +/- 1.64   0.004% *  0.6440% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE  119  10.14 +/- 1.54   0.041% *  0.0554% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG12  ILE  119  11.77 +/- 0.66   0.012% *  0.0736% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG12  ILE  119  11.92 +/- 2.07   0.027% *  0.0316% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE  119  14.56 +/- 1.83   0.004% *  0.0911% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG12  ILE  119  16.93 +/- 1.44   0.002% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE  119  17.18 +/- 1.40   0.001% *  0.0468% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG12  ILE  119  20.75 +/- 1.52   0.000% *  0.0987% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG12  ILE  119  21.46 +/- 1.38   0.000% *  0.1050% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG12  ILE  119  22.29 +/- 1.46   0.000% *  0.1137% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE  119  27.44 +/- 1.36   0.000% *  0.0284% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1517 (0.96, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.17, residual support = 254.3:
    * O T QG2   ILE  119 - HG12  ILE  119   3.18 +/- 0.07  99.323% * 99.7168% (1.00  10.0 10.00   6.17 254.29) = 100.000%  kept
          QD1   LEU   67 - HG12  ILE  119   9.45 +/- 3.00   0.506% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG12  ILE  119  15.02 +/- 1.72   0.019% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG12  ILE  119  13.89 +/- 1.12   0.016% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG12  ILE  119  11.53 +/- 0.89   0.050% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG12  ILE  119  10.88 +/- 1.25   0.077% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  119  15.88 +/- 1.59   0.008% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.22 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 = 254.3:
    * O T HG13  ILE  119 - HG12  ILE  119   1.75 +/- 0.00  98.157% * 99.6771% (1.00  10.0 10.00   5.41 254.29) = 100.000%  kept
          QG1   VAL  107 - HG12  ILE  119   3.88 +/- 0.67   1.619% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG12  ILE  119   5.13 +/- 0.67   0.208% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG12  ILE  119   9.46 +/- 1.73   0.011% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HG12  ILE  119   9.10 +/- 0.30   0.005% *  0.0308% (0.31   1.0  1.00   0.02   2.06) =   0.000%
          QB    ALA   20 - HG12  ILE  119  17.12 +/- 1.24   0.000% *  0.0685% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HG12  ILE  119  21.69 +/- 1.32   0.000% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HG12  ILE  119  19.11 +/- 1.61   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1520 (1.02, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.41, residual support = 254.3:
    * O T QD1   ILE  119 - HG12  ILE  119   2.15 +/- 0.01  99.982% * 99.8078% (0.97  10.0 10.00   5.41 254.29) = 100.000%  kept
          QG2   VAL  108 - HG12  ILE  119   9.75 +/- 0.66   0.013% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG12  ILE  119  11.67 +/- 1.37   0.005% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  119  17.18 +/- 1.59   0.001% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1521 (3.69, 1.12, 30.83 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.02, residual support = 251.5:
    * O T HA    ILE  119 - HG13  ILE  119   2.91 +/- 0.58  98.631% * 50.8167% (1.00  10.0 10.00   6.04 254.29) =  98.715%  kept
        T HA    THR  118 - HG13  ILE  119   6.52 +/- 0.23   1.330% * 49.0416% (0.97   1.0 10.00   4.53  34.40) =   1.285%  kept
          HA2   GLY  109 - HG13  ILE  119  13.22 +/- 1.34   0.035% *  0.0369% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG13  ILE  119  21.46 +/- 1.65   0.001% *  0.0504% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HG13  ILE  119  22.08 +/- 1.47   0.001% *  0.0456% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HG13  ILE  119  18.78 +/- 1.54   0.003% *  0.0089% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1522 (2.03, 1.12, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.44, residual support = 254.3:
    * O T HB    ILE  119 - HG13  ILE  119   2.72 +/- 0.38  99.872% * 99.2403% (0.87  10.0 10.00   5.44 254.29) = 100.000%  kept
          HB2   LYS+ 111 - HG13  ILE  119  10.87 +/- 1.59   0.039% *  0.0557% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE  119  14.01 +/- 2.29   0.018% *  0.0916% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG13  ILE  119  12.39 +/- 2.15   0.041% *  0.0318% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG13  ILE  119  12.75 +/- 0.86   0.012% *  0.0740% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG13  ILE  119  14.75 +/- 1.71   0.009% *  0.0648% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG13  ILE  119  16.40 +/- 1.45   0.003% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG13  ILE  119  16.73 +/- 1.55   0.003% *  0.0470% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG13  ILE  119  20.92 +/- 1.75   0.001% *  0.0992% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG13  ILE  119  22.39 +/- 1.82   0.001% *  0.1144% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG13  ILE  119  21.88 +/- 1.56   0.001% *  0.1056% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE  119  27.71 +/- 1.56   0.000% *  0.0285% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1523 (0.96, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 254.3:
    * O T QG2   ILE  119 - HG13  ILE  119   2.57 +/- 0.21  99.816% * 99.7168% (1.00  10.0 10.00   5.75 254.29) = 100.000%  kept
          QD1   LEU   67 - HG13  ILE  119   9.24 +/- 2.56   0.139% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG13  ILE  119  14.93 +/- 2.12   0.008% *  0.0865% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG13  ILE  119  11.17 +/- 1.29   0.020% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG13  ILE  119  14.62 +/- 1.16   0.004% *  0.0943% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG13  ILE  119  12.30 +/- 1.01   0.010% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  119  15.84 +/- 1.78   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1524 (2.26, 1.12, 30.83 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.41, residual support = 254.3:
    * O T HG12  ILE  119 - HG13  ILE  119   1.75 +/- 0.00  99.990% * 99.4466% (1.00  10.0 10.00   5.41 254.29) = 100.000%  kept
          HB2   ASP- 105 - HG13  ILE  119   9.02 +/- 1.01   0.007% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG13  ILE  119  12.21 +/- 1.47   0.001% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG13  ILE  119  12.66 +/- 1.39   0.001% *  0.0760% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG13  ILE  119  16.12 +/- 2.00   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG13  ILE  119  16.78 +/- 1.79   0.000% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG13  ILE  119  19.58 +/- 1.68   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - HG13  ILE  119  20.93 +/- 1.07   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG13  ILE  119  26.28 +/- 1.51   0.000% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG13  ILE  119  21.26 +/- 1.67   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HG13  ILE  119  27.15 +/- 2.08   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1525 (1.12, 1.12, 30.83 ppm):
    1 diagonal assignment:
    *     HG13  ILE  119 - HG13  ILE  119  (1.00)  kept
 
    Peak 1526 (1.02, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.0, residual support = 254.3:
    * O T QD1   ILE  119 - HG13  ILE  119   2.15 +/- 0.01  99.988% * 99.8078% (0.97  10.0 10.00   5.00 254.29) = 100.000%  kept
          QG2   VAL  108 - HG13  ILE  119  10.58 +/- 0.78   0.008% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG13  ILE  119  12.37 +/- 1.44   0.004% *  0.0751% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG13  ILE  119  17.51 +/- 1.81   0.000% *  0.0586% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1527 (3.69, 1.02, 16.06 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.03, residual support = 253.0:
    *   T HA    ILE  119 - QD1   ILE  119   3.29 +/- 0.62  97.300% * 81.7786% (0.97 10.00   6.04 254.29) =  99.425%  kept
          HA    THR  118 - QD1   ILE  119   6.39 +/- 0.18   2.577% * 17.8644% (0.93  1.00   4.53  34.40) =   0.575%  kept
          HA2   GLY  109 - QD1   ILE  119  11.29 +/- 0.72   0.098% *  0.0594% (0.70  1.00   0.02   0.02) =   0.000%
        T HA    VAL   75 - QD1   ILE  119  15.73 +/- 1.31   0.012% *  0.1432% (0.17 10.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QD1   ILE  119  17.64 +/- 1.19   0.008% *  0.0811% (0.96  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QD1   ILE  119  18.59 +/- 1.12   0.005% *  0.0733% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 254.3:
    * O T HB    ILE  119 - QD1   ILE  119   2.60 +/- 0.40  99.790% * 98.5836% (0.84  10.0 10.00   5.44 254.29) = 100.000%  kept
        T HB    VAL  108 - QD1   ILE  119  11.21 +/- 0.68   0.024% *  0.7352% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE  119   9.19 +/- 1.06   0.064% *  0.0553% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE  119  11.73 +/- 1.51   0.024% *  0.0910% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - QD1   ILE  119  10.21 +/- 1.79   0.058% *  0.0316% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QD1   ILE  119  11.77 +/- 1.15   0.015% *  0.0643% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD1   ILE  119  13.30 +/- 1.66   0.012% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD1   ILE  119  13.82 +/- 1.26   0.009% *  0.0467% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD1   ILE  119  17.76 +/- 1.54   0.002% *  0.0986% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QD1   ILE  119  18.90 +/- 1.47   0.001% *  0.1137% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD1   ILE  119  19.04 +/- 1.47   0.001% *  0.1049% (0.89   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE  119  23.25 +/- 1.33   0.000% *  0.0283% (0.24   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1529 (0.96, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.75, residual support = 254.3:
    *   T QG2   ILE  119 - QD1   ILE  119   1.90 +/- 0.17  99.777% * 99.7168% (0.97 10.00   5.75 254.29) = 100.000%  kept
          QD1   LEU   67 - QD1   ILE  119   7.82 +/- 2.23   0.208% *  0.0197% (0.19  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - QD1   ILE  119  12.66 +/- 1.65   0.003% *  0.0865% (0.84  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD1   ILE  119  12.90 +/- 1.15   0.001% *  0.0943% (0.91  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD1   ILE  119   9.94 +/- 1.29   0.006% *  0.0175% (0.17  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   ILE  119  11.02 +/- 0.88   0.004% *  0.0277% (0.27  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   ILE  119  13.02 +/- 1.46   0.001% *  0.0374% (0.36  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1530 (2.26, 1.02, 16.06 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.41, residual support = 254.3:
    * O T HG12  ILE  119 - QD1   ILE  119   2.15 +/- 0.01  99.941% * 99.4466% (0.97  10.0 10.00   5.41 254.29) = 100.000%  kept
          HB2   ASP- 105 - QD1   ILE  119   8.51 +/- 0.78   0.031% *  0.0307% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - QD1   ILE  119  10.60 +/- 1.35   0.010% *  0.0760% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - QD1   ILE  119  10.27 +/- 1.43   0.012% *  0.0643% (0.62   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD1   ILE  119  13.41 +/- 1.79   0.003% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QD1   ILE  119  13.88 +/- 1.52   0.002% *  0.0523% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD1   ILE  119  16.16 +/- 1.64   0.001% *  0.0683% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD1   ILE  119  17.54 +/- 1.05   0.000% *  0.0831% (0.81   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD1   ILE  119  22.18 +/- 1.27   0.000% *  0.0796% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QD1   ILE  119  17.63 +/- 1.50   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD1   ILE  119  22.53 +/- 1.58   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1531 (1.12, 1.02, 16.06 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 5.0, residual support = 254.3:
    * O T HG13  ILE  119 - QD1   ILE  119   2.15 +/- 0.01  97.908% * 99.6771% (0.97  10.0 10.00   5.00 254.29) = 100.000%  kept
          QG1   VAL  107 - QD1   ILE  119   4.68 +/- 0.53   1.204% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   ILE  119   7.44 +/- 1.57   0.209% *  0.0524% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   ILE  119   5.23 +/- 0.65   0.658% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   ILE  119   9.05 +/- 0.43   0.019% *  0.0308% (0.30   1.0  1.00   0.02   2.06) =   0.000%
          QB    ALA   20 - QD1   ILE  119  14.04 +/- 1.28   0.001% *  0.0685% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD1   ILE  119  18.99 +/- 1.39   0.000% *  0.0995% (0.96   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QD1   ILE  119  16.49 +/- 1.48   0.001% *  0.0410% (0.40   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1532 (1.02, 1.02, 16.06 ppm):
    1 diagonal assignment:
    *     QD1   ILE  119 - QD1   ILE  119  (0.93)  kept
 
    Peak 1533 (3.95, 3.95, 55.35 ppm):
    1 diagonal assignment:
    *     HA    ALA  120 - HA    ALA  120  (1.00)  kept
 
    Peak 1534 (1.48, 3.95, 55.35 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.29, residual support = 14.1:
    * O T QB    ALA  120 - HA    ALA  120   2.13 +/- 0.01  99.709% * 99.2082% (0.95  10.0 10.00   2.29  14.07) = 100.000%  kept
        T HD2   LYS+ 121 - HA    ALA  120   6.25 +/- 0.98   0.247% *  0.1618% (0.15   1.0 10.00   0.02   1.49) =   0.000%
          HG    LEU  115 - HA    ALA  120   9.53 +/- 0.78   0.015% *  0.0992% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ALA  120  12.02 +/- 4.10   0.016% *  0.0552% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    ALA  120  13.93 +/- 2.10   0.002% *  0.2075% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA  120  10.71 +/- 0.52   0.007% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    ALA  120  14.38 +/- 2.95   0.002% *  0.1046% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA  120  13.69 +/- 2.82   0.003% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ALA  120  20.83 +/- 1.44   0.000% *  0.0510% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ALA  120  22.20 +/- 1.60   0.000% *  0.0262% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1535 (3.95, 1.48, 18.41 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.29, residual support = 14.1:
    * O T HA    ALA  120 - QB    ALA  120   2.13 +/- 0.01  96.386% * 99.3786% (0.95  10.0 10.00   2.29  14.07) =  99.997%  kept
          HA    LYS+ 121 - QB    ALA  120   3.88 +/- 0.04   2.679% *  0.0759% (0.72   1.0  1.00   0.02   1.49) =   0.002%
          QB    SER  117 - QB    ALA  120   4.68 +/- 0.27   0.931% *  0.0409% (0.39   1.0  1.00   0.02   5.51) =   0.000%
          HA    LYS+  65 - QB    ALA  120  13.15 +/- 1.44   0.002% *  0.0759% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QB    ALA  120  15.40 +/- 0.67   0.001% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA  120  16.58 +/- 1.44   0.000% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    ALA  120  20.00 +/- 1.87   0.000% *  0.0683% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QB    ALA  120  21.35 +/- 1.45   0.000% *  0.0917% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA  120  18.95 +/- 1.51   0.000% *  0.0197% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QB    ALA  120  24.08 +/- 0.92   0.000% *  0.0830% (0.79   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1536 (1.48, 1.48, 18.41 ppm):
    1 diagonal assignment:
    *     QB    ALA  120 - QB    ALA  120  (0.89)  kept
 
    Peak 1537 (3.94, 3.94, 58.66 ppm):
    2 diagonal assignments:
    *     HA    LYS+ 121 - HA    LYS+ 121  (1.00)  kept
          HA    LYS+  65 - HA    LYS+  65  (0.02)  kept
 
    Peak 1538 (1.66, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.949, support = 8.05, residual support = 306.9:
    * O T HB2   LYS+ 121 - HA    LYS+ 121   2.93 +/- 0.08  50.939% * 91.1605% (1.00  10.0 10.00   8.24 315.24) =  94.515%  kept
        T QD    LYS+  65 - HA    LYS+  65   3.05 +/- 0.61  47.106% *  5.7090% (0.06   1.0 10.00   4.75 164.17) =   5.474%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.13 +/- 0.40   1.892% *  0.2814% (0.31   1.0 10.00   0.02   2.32) =   0.011%
        T QD    LYS+ 102 - HA    LYS+ 121  14.64 +/- 2.75   0.006% *  0.4796% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 121  15.91 +/- 1.38   0.002% *  0.9096% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  17.20 +/- 3.29   0.002% *  0.8176% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  17.41 +/- 2.29   0.001% *  0.2535% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HA    LYS+  65  15.43 +/- 2.07   0.003% *  0.0572% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  13.96 +/- 2.41   0.008% *  0.0177% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  16.20 +/- 1.17   0.002% *  0.0281% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  12.67 +/- 2.25   0.012% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  10.95 +/- 0.86   0.022% *  0.0018% (0.02   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  19.41 +/- 1.65   0.001% *  0.0513% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  20.29 +/- 1.77   0.001% *  0.0553% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  19.64 +/- 1.71   0.001% *  0.0311% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  26.03 +/- 2.48   0.000% *  0.0894% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  22.49 +/- 1.40   0.000% *  0.0301% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  23.59 +/- 1.36   0.000% *  0.0159% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  18.45 +/- 1.53   0.001% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  23.17 +/- 1.07   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1539 (1.15, 3.94, 58.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.28, residual support = 315.2:
    * O T HG2   LYS+ 121 - HA    LYS+ 121   2.30 +/- 0.46  99.881% * 99.6412% (1.00  10.0 10.00   7.28 315.24) = 100.000%  kept
          QG2   VAL  107 - HA    LYS+ 121  10.13 +/- 0.36   0.028% *  0.0920% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+ 121   8.96 +/- 0.28   0.053% *  0.0308% (0.31   1.0  1.00   0.02   2.06) =   0.000%
          HG13  ILE  103 - HA    LYS+ 121  14.32 +/- 2.08   0.005% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HA    LYS+  65  17.53 +/- 2.35   0.001% *  0.0625% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+  65  12.56 +/- 1.77   0.012% *  0.0050% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+ 121  21.31 +/- 1.38   0.000% *  0.0798% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LYS+  65  13.73 +/- 0.66   0.005% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+  65  11.67 +/- 1.37   0.013% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+ 121  21.88 +/- 2.60   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+  65  20.58 +/- 1.30   0.000% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+  65  21.06 +/- 1.45   0.000% *  0.0017% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1540 (0.80, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.69, residual support = 315.2:
    * O T HG3   LYS+ 121 - HA    LYS+ 121   3.20 +/- 0.39  98.176% * 99.4380% (1.00  10.0 10.00   6.69 315.24) =  99.999%  kept
          QD2   LEU  123 - HA    LYS+ 121   6.79 +/- 0.52   1.505% *  0.0484% (0.49   1.0  1.00   0.02   2.32) =   0.001%
          QD1   ILE   56 - HA    LYS+ 121  12.40 +/- 1.27   0.053% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HA    LYS+ 121  16.33 +/- 1.49   0.008% *  0.3392% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HA    LYS+  65  11.29 +/- 0.95   0.065% *  0.0213% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+  65  11.11 +/- 2.23   0.136% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LYS+  65  17.64 +/- 2.38   0.006% *  0.0624% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+  65  12.38 +/- 1.15   0.046% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 121  22.03 +/- 2.43   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+  65  20.28 +/- 1.56   0.002% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1541 (1.50, 3.94, 58.66 ppm):
    20 chemical-shift based assignments, quality = 0.653, support = 7.48, residual support = 301.7:
    *   T HD2   LYS+ 121 - HA    LYS+ 121   3.48 +/- 0.64  16.561% * 69.2258% (1.00   1.0 10.00   7.28 315.24) =  52.963%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.74 +/- 0.14  38.666% * 21.3664% (0.31  10.0 10.00   8.28 315.24) =  38.166%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.79 +/- 0.54  44.131% *  4.3065% (0.06  10.0 10.00   5.27 164.17) =   8.780%  kept
        T QD    LYS+  66 - HA    LYS+  65   5.76 +/- 0.58   0.560% *  3.4792% (0.05   1.0 10.00   5.45  25.34) =   0.090%
        T QD    LYS+  66 - HA    LYS+ 121  10.58 +/- 2.90   0.034% *  0.5543% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HG2   LYS+  65 - HA    LYS+ 121  16.81 +/- 1.83   0.001% *  0.6861% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  10.71 +/- 2.94   0.019% *  0.0214% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  12.71 +/- 3.27   0.008% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  16.38 +/- 2.56   0.002% *  0.0434% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  12.86 +/- 2.13   0.005% *  0.0086% (0.01   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  20.67 +/- 1.73   0.000% *  0.1370% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.99 +/- 1.73   0.002% *  0.0154% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  15.93 +/- 2.14   0.001% *  0.0134% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  13.21 +/- 1.70   0.004% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  21.90 +/- 1.91   0.000% *  0.0668% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.55 +/- 1.56   0.000% *  0.0529% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.47 +/- 1.52   0.001% *  0.0042% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.67 +/- 1.32   0.003% *  0.0008% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.22 +/- 1.81   0.001% *  0.0013% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.54 +/- 1.47   0.000% *  0.0010% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1542 (2.75, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 0.99, support = 6.66, residual support = 299.0:
    *     QE    LYS+ 121 - HA    LYS+ 121   3.68 +/- 0.78  91.208% * 58.2698% (1.00   6.72 315.24) =  93.874%  kept
          HB3   HIS  122 - HA    LYS+ 121   5.94 +/- 0.34   8.362% * 41.4727% (0.84   5.73  49.31) =   6.125%  kept
          HB3   HIS  122 - HA    LYS+  65  11.21 +/- 2.28   0.315% *  0.0091% (0.05   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    LYS+  65  16.07 +/- 2.68   0.090% *  0.0109% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+ 121  23.94 +/- 2.57   0.002% *  0.1191% (0.69   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+  65  17.33 +/- 1.89   0.017% *  0.0075% (0.04   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+ 121  27.35 +/- 2.48   0.001% *  0.0777% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+ 121  29.86 +/- 2.09   0.001% *  0.0267% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+  65  24.54 +/- 1.54   0.002% *  0.0049% (0.03   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  65  23.97 +/- 2.44   0.004% *  0.0017% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.79 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 = 8.24, residual support = 315.2:
    * O T HA    LYS+ 121 - HB2   LYS+ 121   2.93 +/- 0.08  95.405% * 99.1042% (1.00  10.0 10.00   8.24 315.24) =  99.996%  kept
          QB    SER  117 - HB2   LYS+ 121   5.73 +/- 0.94   2.509% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.002%
          HA    ALA  120 - HB2   LYS+ 121   5.57 +/- 0.14   2.038% *  0.0757% (0.76   1.0  1.00   0.02   1.49) =   0.002%
        T HA    LYS+  65 - HB2   LYS+ 121  15.43 +/- 2.07   0.007% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   LYS+ 121  11.52 +/- 1.02   0.030% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LYS+ 121  14.82 +/- 0.88   0.006% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LYS+ 121  22.75 +/- 3.07   0.003% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LYS+ 121  19.02 +/- 2.41   0.002% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LYS+ 121  23.37 +/- 1.93   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LYS+ 121  25.17 +/- 1.64   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1544 (1.66, 1.66, 32.89 ppm):
    1 diagonal assignment:
    *     HB2   LYS+ 121 - HB2   LYS+ 121  (1.00)  kept
 
    Peak 1545 (1.15, 1.66, 32.89 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 7.7, residual support = 315.2:
    * O T HG2   LYS+ 121 - HB2   LYS+ 121   2.92 +/- 0.16  99.176% * 99.7211% (1.00  10.0 10.00   7.70 315.24) = 100.000%  kept
          QG2   VAL  107 - HB2   LYS+ 121   7.87 +/- 0.44   0.291% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LYS+ 121   7.17 +/- 0.37   0.510% *  0.0308% (0.31   1.0  1.00   0.02   2.06) =   0.000%
          HG13  ILE  103 - HB2   LYS+ 121  12.58 +/- 1.72   0.021% *  0.0485% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LYS+ 121  19.68 +/- 1.45   0.001% *  0.0799% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   LYS+ 121  20.51 +/- 2.10   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1546 (0.80, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 7.13, residual support = 315.2:
    * O T HG3   LYS+ 121 - HB2   LYS+ 121   2.72 +/- 0.19  99.760% * 99.0974% (1.00  10.0 10.00   7.13 315.24) =  99.999%  kept
        T QD2   LEU  123 - HB2   LYS+ 121   7.97 +/- 0.11   0.172% *  0.4824% (0.49   1.0 10.00   0.02   2.32) =   0.001%
          QD1   ILE   56 - HB2   LYS+ 121  10.37 +/- 1.28   0.063% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HB2   LYS+ 121  14.91 +/- 1.31   0.004% *  0.3380% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB2   LYS+ 121  20.39 +/- 2.00   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.99 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 = 0.62, support = 8.36, residual support = 315.2:
      O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  79.829% * 23.0703% (0.31  10.0 10.00   8.91 315.24) =  55.007%  kept
    * O T HD2   LYS+ 121 - HB2   LYS+ 121   2.30 +/- 0.39  20.154% * 74.7463% (1.00  10.0 10.00   7.69 315.24) =  44.993%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  10.50 +/- 2.83   0.010% *  0.5985% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  15.69 +/- 1.82   0.000% *  0.7408% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121   9.99 +/- 2.38   0.005% *  0.0231% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.37 +/- 1.58   0.000% *  0.5712% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB2   LYS+ 121  12.24 +/- 2.72   0.001% *  0.0131% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  12.73 +/- 2.11   0.001% *  0.0166% (0.22   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  18.36 +/- 1.76   0.000% *  0.1479% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  20.44 +/- 1.74   0.000% *  0.0721% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1548 (2.75, 1.66, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.987, support = 7.09, residual support = 294.8:
    *     QE    LYS+ 121 - HB2   LYS+ 121   3.74 +/- 0.27  89.583% * 58.1651% (1.00   7.17 315.24) =  92.320%  kept
          HB3   HIS  122 - HB2   LYS+ 121   5.46 +/- 0.44  10.413% * 41.6256% (0.84   6.14  49.31) =   7.680%  kept
          HG2   GLN   30 - HB2   LYS+ 121  22.34 +/- 2.36   0.003% *  0.1115% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 121  25.64 +/- 2.08   0.001% *  0.0728% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+ 121  27.26 +/- 2.12   0.001% *  0.0250% (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 = 7.28, residual support = 315.2:
    * O T HA    LYS+ 121 - HG2   LYS+ 121   2.30 +/- 0.46  99.074% * 99.1042% (1.00  10.0 10.00   7.28 315.24) =  99.999%  kept
          QB    SER  117 - HG2   LYS+ 121   6.50 +/- 1.25   0.707% *  0.0828% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          HA    ALA  120 - HG2   LYS+ 121   6.76 +/- 0.39   0.211% *  0.0757% (0.76   1.0  1.00   0.02   1.49) =   0.000%
        T HA    LYS+  65 - HG2   LYS+ 121  17.53 +/- 2.35   0.001% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+ 121  16.78 +/- 1.32   0.002% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG2   LYS+ 121  14.18 +/- 1.14   0.004% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   LYS+ 121  20.91 +/- 2.79   0.001% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+ 121  25.22 +/- 3.33   0.000% *  0.0982% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+ 121  25.47 +/- 2.27   0.000% *  0.0937% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+ 121  26.59 +/- 2.08   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1550 (1.66, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.7, residual support = 315.2:
    * O T HB2   LYS+ 121 - HG2   LYS+ 121   2.92 +/- 0.16  99.453% * 99.4783% (1.00  10.0 10.00   7.70 315.24) = 100.000%  kept
          HB2   LEU  123 - HG2   LYS+ 121   7.28 +/- 0.70   0.505% *  0.0307% (0.31   1.0  1.00   0.02   2.32) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 121  13.55 +/- 2.93   0.024% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG2   LYS+ 121  17.10 +/- 3.37   0.004% *  0.0892% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG2   LYS+ 121  17.05 +/- 1.64   0.003% *  0.0993% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG2   LYS+ 121  16.74 +/- 2.76   0.005% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+ 121  16.62 +/- 1.19   0.004% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG2   LYS+ 121  20.45 +/- 2.07   0.001% *  0.0603% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 121  19.37 +/- 1.74   0.002% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 121  25.41 +/- 2.70   0.000% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 315.2:
    * O T HG3   LYS+ 121 - HG2   LYS+ 121   1.75 +/- 0.00  99.990% * 99.3314% (1.00  10.0 10.00   6.31 315.24) = 100.000%  kept
          QD2   LEU  123 - HG2   LYS+ 121   8.50 +/- 0.73   0.009% *  0.0483% (0.49   1.0  1.00   0.02   2.32) =   0.000%
        T QD2   LEU   73 - HG2   LYS+ 121  16.38 +/- 1.79   0.000% *  0.3388% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HG2   LYS+ 121  12.52 +/- 1.30   0.001% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU   31 - HG2   LYS+ 121  21.51 +/- 2.69   0.000% *  0.2211% (0.22   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1553 (1.50, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 0.789, support = 7.23, residual support = 315.2:
    * O T HD2   LYS+ 121 - HG2   LYS+ 121   2.85 +/- 0.12  41.121% * 75.5250% (1.00  10.0 10.00   7.00 315.24) =  69.417%  kept
      O T HB3   LYS+ 121 - HG2   LYS+ 121   2.68 +/- 0.19  58.696% * 23.3106% (0.31  10.0 10.00   7.76 315.24) =  30.582%  kept
        T QD    LYS+  66 - HG2   LYS+ 121  12.00 +/- 3.13   0.056% *  0.6048% (0.80   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HG2   LYS+ 121   9.94 +/- 3.12   0.109% *  0.0233% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG2   LYS+ 121  14.52 +/- 2.22   0.003% *  0.1681% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+ 121  12.89 +/- 3.50   0.014% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+ 121  17.99 +/- 2.02   0.001% *  0.0749% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG2   LYS+ 121  20.87 +/- 1.94   0.000% *  0.1495% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG2   LYS+ 121  21.87 +/- 2.23   0.000% *  0.0729% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   LYS+ 121  21.69 +/- 1.94   0.000% *  0.0577% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1554 (2.75, 1.15, 24.39 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 315.2:
    * O   QE    LYS+ 121 - HG2   LYS+ 121   2.42 +/- 0.40  99.741% * 99.7880% (1.00  10.0   6.31 315.24) = 100.000%  kept
          HB3   HIS  122 - HG2   LYS+ 121   7.31 +/- 0.59   0.258% *  0.0833% (0.84   1.0   0.02  49.31) =   0.000%
          HG2   GLN   30 - HG2   LYS+ 121  23.89 +/- 3.02   0.000% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG2   LYS+ 121  26.78 +/- 2.77   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+ 121  29.59 +/- 2.47   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1555 (3.94, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.69, residual support = 315.2:
    * O T HA    LYS+ 121 - HG3   LYS+ 121   3.20 +/- 0.39  94.984% * 98.4706% (1.00  10.0 10.00   6.69 315.24) =  99.996%  kept
          QB    SER  117 - HG3   LYS+ 121   6.27 +/- 1.27   3.803% *  0.0822% (0.84   1.0  1.00   0.02   0.02) =   0.003%
          HA    ALA  120 - HG3   LYS+ 121   7.39 +/- 0.45   0.670% *  0.0753% (0.76   1.0  1.00   0.02   1.49) =   0.001%
        T HA    LYS+  65 - QD2   LEU   73  11.29 +/- 0.95   0.062% *  0.1145% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD2   LEU   73  16.33 +/- 1.49   0.008% *  0.3358% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD2   LEU   73  11.60 +/- 1.19   0.067% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 121  17.64 +/- 2.38   0.006% *  0.3359% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD2   LEU   73   9.60 +/- 1.03   0.217% *  0.0093% (0.09   1.0  1.00   0.02   1.67) =   0.000%
          HA2   GLY   16 - QD2   LEU   73  10.86 +/- 0.86   0.083% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 121  15.79 +/- 1.31   0.010% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG3   LYS+ 121  24.48 +/- 3.68   0.007% *  0.0976% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD2   LEU   73  14.27 +/- 1.55   0.020% *  0.0318% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HG3   LYS+ 121  13.76 +/- 1.32   0.022% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD2   LEU   73  18.26 +/- 2.19   0.007% *  0.0333% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD2   LEU   73  14.44 +/- 1.23   0.016% *  0.0138% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD2   LEU   73  16.15 +/- 1.14   0.007% *  0.0280% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD2   LEU   73  16.63 +/- 1.41   0.007% *  0.0257% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 121  20.99 +/- 2.87   0.002% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 121  24.72 +/- 2.45   0.001% *  0.0931% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 121  25.64 +/- 2.07   0.001% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1556 (1.66, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 7.13, residual support = 315.2:
    * O T HB2   LYS+ 121 - HG3   LYS+ 121   2.72 +/- 0.19  98.909% * 98.6953% (1.00  10.0 10.00   7.13 315.24) =  99.999%  kept
        T HB2   LEU  123 - HG3   LYS+ 121   8.09 +/- 0.53   0.177% *  0.3046% (0.31   1.0 10.00   0.02   2.32) =   0.001%
          HD2   LYS+  74 - QD2   LEU   73   6.63 +/- 0.85   0.729% *  0.0204% (0.21   1.0  1.00   0.02  42.16) =   0.000%
          HB    VAL   83 - QD2   LEU   73  10.32 +/- 1.43   0.056% *  0.0330% (0.33   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - QD2   LEU   73  14.91 +/- 1.31   0.004% *  0.3366% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  12.98 +/- 2.85   0.027% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QD2   LEU   73  11.71 +/- 1.33   0.022% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU   73  12.15 +/- 0.70   0.015% *  0.0302% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 121  17.04 +/- 3.20   0.003% *  0.0885% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD2   LEU   73  11.80 +/- 1.30   0.025% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG3   LYS+ 121  17.16 +/- 1.65   0.002% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  13.76 +/- 1.32   0.008% *  0.0177% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+ 121  16.09 +/- 2.97   0.004% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  14.21 +/- 1.74   0.010% *  0.0115% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 121  16.25 +/- 1.46   0.003% *  0.0305% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 121  19.86 +/- 2.08   0.001% *  0.0599% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  18.56 +/- 1.92   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 121  24.47 +/- 2.83   0.000% *  0.0967% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  17.08 +/- 1.97   0.002% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU   73  20.54 +/- 2.34   0.001% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1557 (1.15, 0.80, 24.39 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 315.2:
    * O T HG2   LYS+ 121 - HG3   LYS+ 121   1.75 +/- 0.00  99.880% * 98.9593% (1.00  10.0 10.00   6.31 315.24) = 100.000%  kept
          QB    ALA   20 - QD2   LEU   73   5.86 +/- 0.48   0.082% *  0.0270% (0.27   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QD2   LEU   73   7.40 +/- 0.74   0.021% *  0.0938% (0.09   1.0 10.00   0.02   3.33) =   0.000%
          QG2   VAL  107 - HG3   LYS+ 121   9.10 +/- 0.78   0.006% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG3   LYS+ 121   9.68 +/- 0.43   0.004% *  0.0305% (0.31   1.0  1.00   0.02   2.06) =   0.000%
          HG13  ILE  103 - HG3   LYS+ 121  12.26 +/- 2.24   0.001% *  0.0482% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - QD2   LEU   73  16.38 +/- 1.79   0.000% *  0.3375% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   73  11.57 +/- 0.98   0.001% *  0.0312% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD2   LEU   73  11.07 +/- 1.25   0.002% *  0.0164% (0.17   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - HG3   LYS+ 121  20.73 +/- 2.79   0.000% *  0.2751% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   73  14.03 +/- 1.32   0.000% *  0.0104% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HG3   LYS+ 121  21.11 +/- 1.78   0.000% *  0.0792% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1558 (0.80, 0.80, 24.39 ppm):
    2 diagonal assignments:
    *     HG3   LYS+ 121 - HG3   LYS+ 121  (1.00)  kept
          QD2   LEU   73 - QD2   LEU   73  (0.12)  kept
 
    Peak 1559 (1.50, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 0.688, support = 6.7, residual support = 315.2:
    * O T HD2   LYS+ 121 - HG3   LYS+ 121   2.87 +/- 0.16  26.386% * 75.1260% (1.00  10.0 10.00   6.38 315.24) =  54.828%  kept
      O T HB3   LYS+ 121 - HG3   LYS+ 121   2.41 +/- 0.20  70.430% * 23.1874% (0.31  10.0 10.00   7.09 315.24) =  45.169%  kept
          QG2   THR   26 - QD2   LEU   73   4.67 +/- 0.81   2.473% *  0.0247% (0.33   1.0  1.00   0.02   0.02) =   0.002%
        T QD    LYS+  66 - HG3   LYS+ 121  12.35 +/- 3.09   0.021% *  0.6016% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU   73   5.79 +/- 0.45   0.419% *  0.0196% (0.26   1.0  1.00   0.02  42.16) =   0.000%
        T HD3   LYS+  74 - QD2   LEU   73   7.86 +/- 0.70   0.077% *  0.0507% (0.07   1.0 10.00   0.02  42.16) =   0.000%
          HG    LEU  104 - HG3   LYS+ 121   9.46 +/- 2.86   0.096% *  0.0232% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD2   LEU   73  12.90 +/- 0.63   0.003% *  0.2051% (0.27   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD2   LEU   73  15.91 +/- 1.60   0.001% *  0.2562% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD2   LEU   73   8.58 +/- 0.92   0.060% *  0.0045% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU   73  11.81 +/- 1.55   0.008% *  0.0254% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 121  12.73 +/- 3.40   0.010% *  0.0132% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD2   LEU   73  14.74 +/- 1.59   0.002% *  0.0791% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+ 121  13.90 +/- 2.50   0.004% *  0.0167% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QD2   LEU   73  11.66 +/- 1.16   0.007% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 121  18.01 +/- 2.10   0.001% *  0.0745% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG3   LYS+ 121  20.28 +/- 1.93   0.000% *  0.1487% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 121  21.41 +/- 2.22   0.000% *  0.0725% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG3   LYS+ 121  21.12 +/- 1.96   0.000% *  0.0574% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU   73  18.30 +/- 2.21   0.001% *  0.0057% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1560 (2.75, 0.80, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 315.2:
    * O   QE    LYS+ 121 - HG3   LYS+ 121   2.78 +/- 0.49  80.406% * 99.6820% (1.00  10.0   6.00 315.24) =  99.994%  kept
          HG2   GLN   30 - QD2   LEU   73   4.09 +/- 1.23  19.172% *  0.0233% (0.23   1.0   0.02   5.24) =   0.006%
          HB3   HIS  122 - HG3   LYS+ 121   7.49 +/- 0.67   0.314% *  0.0833% (0.84   1.0   0.02  49.31) =   0.000%
          HB3   ASN   28 - QD2   LEU   73   9.28 +/- 0.71   0.077% *  0.0152% (0.15   1.0   0.02   1.85) =   0.000%
          HB3   HIS  122 - QD2   LEU   73  12.98 +/- 2.09   0.016% *  0.0284% (0.28   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD2   LEU   73  15.17 +/- 1.90   0.008% *  0.0340% (0.34   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD2   LEU   73  14.34 +/- 1.24   0.007% *  0.0052% (0.05   1.0   0.02   0.02) =   0.000%
          HG2   GLN   30 - HG3   LYS+ 121  23.37 +/- 2.95   0.000% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG3   LYS+ 121  26.06 +/- 2.67   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 121  28.76 +/- 2.40   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1561 (3.94, 1.50, 29.95 ppm):
    30 chemical-shift based assignments, quality = 0.994, support = 7.2, residual support = 307.2:
    *   T HA    LYS+ 121 - HD2   LYS+ 121   3.48 +/- 0.64  66.904% * 56.2480% (1.00 10.00   7.28 315.24) =  97.441%  kept
        T HA    ALA  120 - HD2   LYS+ 121   6.25 +/- 0.98   2.272% * 42.9863% (0.76 10.00   4.22   1.49) =   2.529%  kept
          QB    SER  117 - HD2   LYS+ 121   5.09 +/- 1.92  21.185% *  0.0470% (0.84  1.00   0.02   0.02) =   0.026%
        T HA    LYS+  65 - QD    LYS+  66   5.76 +/- 0.58   4.142% *  0.0239% (0.04 10.00   0.02  25.34) =   0.003%
        T HA    LYS+ 121 - QD    LYS+  66  10.58 +/- 2.90   0.504% *  0.0699% (0.12 10.00   0.02   0.02) =   0.001%
          QB    SER   48 - HD3   LYS+  74  10.98 +/- 2.98   1.120% *  0.0083% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  66   7.76 +/- 2.66   1.639% *  0.0053% (0.10  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD2   LYS+ 121  16.38 +/- 2.56   0.025% *  0.1919% (0.34 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+  74   8.16 +/- 1.98   0.922% *  0.0024% (0.04  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  66   9.17 +/- 1.59   0.607% *  0.0029% (0.05  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+  74  12.86 +/- 2.13   0.049% *  0.0299% (0.05 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+  74  11.18 +/- 1.56   0.144% *  0.0087% (0.15  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD2   LYS+ 121  12.72 +/- 1.33   0.067% *  0.0156% (0.28  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 121  15.61 +/- 1.30   0.014% *  0.0558% (0.99  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - QD    LYS+  66   9.25 +/- 0.82   0.242% *  0.0019% (0.03  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  66  12.02 +/- 1.70   0.062% *  0.0058% (0.10  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+  74  13.94 +/- 2.79   0.040% *  0.0087% (0.15  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 121  23.50 +/- 3.17   0.005% *  0.0558% (0.99  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+  74  20.67 +/- 1.73   0.002% *  0.0877% (0.16 10.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 121  20.03 +/- 3.04   0.007% *  0.0231% (0.41  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+  74  14.00 +/- 1.18   0.020% *  0.0036% (0.06  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 121  24.13 +/- 2.42   0.001% *  0.0532% (0.95  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+  74  17.75 +/- 1.99   0.007% *  0.0073% (0.13  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  66  18.19 +/- 1.23   0.005% *  0.0069% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+  74  16.84 +/- 1.21   0.007% *  0.0036% (0.06  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+  74  19.57 +/- 1.83   0.003% *  0.0067% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 121  25.94 +/- 1.50   0.001% *  0.0231% (0.41  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  66  21.15 +/- 1.73   0.002% *  0.0069% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  66  21.75 +/- 1.76   0.002% *  0.0066% (0.12  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  66  26.04 +/- 1.13   0.000% *  0.0029% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1562 (1.66, 1.50, 29.95 ppm):
    30 chemical-shift based assignments, quality = 0.754, support = 6.51, residual support = 280.5:
    * O T HB2   LYS+ 121 - HD2   LYS+ 121   2.30 +/- 0.39  20.140% * 87.6744% (1.00  10.0 10.00   7.69 315.24) =  72.775%  kept
      O   HD2   LYS+  74 - HD3   LYS+  74   1.75 +/- 0.00  79.637% *  8.2944% (0.09  10.0  1.00   3.34 187.48) =  27.225%  kept
        T QD    LYS+  65 - QD    LYS+  66   6.00 +/- 0.88   0.078% *  0.1088% (0.12   1.0 10.00   0.02  25.34) =   0.000%
        T HB2   LYS+ 121 - QD    LYS+  66  10.50 +/- 2.83   0.010% *  0.1090% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD2   LYS+ 121   7.31 +/- 0.76   0.020% *  0.0271% (0.31   1.0  1.00   0.02   2.32) =   0.000%
          QB    ALA   57 - HD3   LYS+  74   7.99 +/- 2.35   0.064% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD2   LYS+ 121  14.47 +/- 2.57   0.000% *  0.4613% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD3   LYS+  74  11.96 +/- 2.47   0.001% *  0.1364% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD2   LYS+ 121  15.84 +/- 1.82   0.000% *  0.8748% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD    LYS+  66   7.70 +/- 2.92   0.041% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD2   LYS+ 121  15.13 +/- 3.15   0.000% *  0.2438% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   LYS+ 121  18.04 +/- 2.97   0.000% *  0.7863% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HD2   LYS+ 121  19.17 +/- 2.06   0.000% *  0.5318% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+  74  10.17 +/- 1.71   0.004% *  0.0047% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QD    LYS+  66  17.17 +/- 1.69   0.000% *  0.0978% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+  74  12.44 +/- 1.48   0.001% *  0.0134% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HD3   LYS+  74  18.36 +/- 1.76   0.000% *  0.1368% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   LYS+ 121  15.11 +/- 1.39   0.000% *  0.0271% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - QD    LYS+  66  11.33 +/- 1.08   0.001% *  0.0034% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QD    LYS+  66  19.04 +/- 1.93   0.000% *  0.0574% (0.07   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+  74  19.94 +/- 2.65   0.000% *  0.0380% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   LYS+ 121  17.62 +/- 1.71   0.000% *  0.0299% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD3   LYS+  74  22.01 +/- 1.24   0.000% *  0.1226% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD3   LYS+  74  21.50 +/- 1.73   0.000% *  0.0719% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD    LYS+  66  15.00 +/- 1.75   0.000% *  0.0066% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QD    LYS+  66  19.39 +/- 1.55   0.000% *  0.0303% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   LYS+ 121  24.59 +/- 2.06   0.000% *  0.0859% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD    LYS+  66  17.54 +/- 2.14   0.000% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD3   LYS+  74  20.75 +/- 2.19   0.000% *  0.0042% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD    LYS+  66  23.55 +/- 1.06   0.000% *  0.0107% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1563 (1.15, 1.50, 29.95 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 7.0, residual support = 315.2:
    * O T HG2   LYS+ 121 - HD2   LYS+ 121   2.85 +/- 0.12  96.693% * 99.3656% (1.00  10.0 10.00   7.00 315.24) =  99.999%  kept
          QB    ALA   20 - HD3   LYS+  74   6.38 +/- 1.09   1.971% *  0.0124% (0.12   1.0  1.00   0.02   8.16) =   0.000%
          QG2   VAL  107 - HD2   LYS+ 121   8.24 +/- 0.77   0.195% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - QD    LYS+  66  12.00 +/- 3.13   0.141% *  0.1236% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD2   LYS+ 121   8.19 +/- 0.81   0.201% *  0.0307% (0.31   1.0  1.00   0.02   2.06) =   0.000%
          HG13  ILE  119 - QD    LYS+  66   8.20 +/- 1.89   0.691% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   LYS+ 121  13.31 +/- 1.78   0.014% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HD3   LYS+  74  11.00 +/- 1.51   0.045% *  0.0143% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD    LYS+  66  11.49 +/- 1.01   0.027% *  0.0114% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HD3   LYS+  74  20.87 +/- 1.94   0.001% *  0.1550% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HD2   LYS+ 121  20.65 +/- 1.71   0.001% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    LYS+  66  15.26 +/- 1.19   0.005% *  0.0099% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+  74  14.30 +/- 1.90   0.008% *  0.0048% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD2   LYS+ 121  21.50 +/- 2.37   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD3   LYS+  74  17.09 +/- 1.36   0.002% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD    LYS+  66  18.10 +/- 1.47   0.002% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+  74  17.28 +/- 1.10   0.002% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    LYS+  66  20.75 +/- 0.69   0.001% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1564 (0.80, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.38, residual support = 315.2:
    * O T HG3   LYS+ 121 - HD2   LYS+ 121   2.87 +/- 0.16  86.777% * 99.1222% (1.00  10.0 10.00   6.38 315.24) =  99.999%  kept
          QD2   LEU  123 - QD    LYS+  66   5.75 +/- 2.48  12.129% *  0.0060% (0.06   1.0  1.00   0.02   0.02) =   0.001%
        T QD2   LEU   73 - HD3   LYS+  74   7.86 +/- 0.70   0.282% *  0.0527% (0.05   1.0 10.00   0.02  42.16) =   0.000%
        T HG3   LYS+ 121 - QD    LYS+  66  12.35 +/- 3.09   0.082% *  0.1233% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD2   LYS+ 121   8.50 +/- 0.73   0.159% *  0.0482% (0.49   1.0  1.00   0.02   2.32) =   0.000%
          QD1   ILE   56 - HD3   LYS+  74   9.77 +/- 2.54   0.466% *  0.0094% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HD2   LYS+ 121  10.98 +/- 1.40   0.043% *  0.0601% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HD2   LYS+ 121  15.91 +/- 1.60   0.004% *  0.3381% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD    LYS+  66  12.90 +/- 0.63   0.011% *  0.0420% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD    LYS+  66  10.97 +/- 1.14   0.037% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HD3   LYS+  74  20.28 +/- 1.93   0.001% *  0.1546% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+  74  15.17 +/- 1.03   0.004% *  0.0034% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD2   LYS+ 121  21.41 +/- 2.23   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+  74  17.90 +/- 1.69   0.002% *  0.0075% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QD    LYS+  66  20.44 +/- 0.60   0.001% *  0.0027% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.32, residual support = 315.2:
    * O   QE    LYS+ 121 - HD2   LYS+ 121   2.31 +/- 0.15  98.185% * 98.9202% (1.00  10.0  1.00   6.32 315.24) = 100.000%  kept
          HB3   HIS  122 - HD2   LYS+ 121   6.94 +/- 0.84   0.227% *  0.0826% (0.84   1.0  1.00   0.02  49.31) =   0.000%
          HB3   HIS  122 - QD    LYS+  66   6.98 +/- 2.89   1.255% *  0.0103% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD    LYS+  66  11.12 +/- 3.05   0.318% *  0.0123% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD3   LYS+  74  12.95 +/- 0.83   0.004% *  0.1060% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD2   LYS+ 121  23.49 +/- 2.66   0.000% *  0.6795% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - QD    LYS+  66  19.13 +/- 1.16   0.000% *  0.0845% (0.09   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+  74  11.80 +/- 1.47   0.008% *  0.0024% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD3   LYS+  74  16.54 +/- 2.11   0.001% *  0.0129% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HD3   LYS+  74  18.89 +/- 2.01   0.000% *  0.0154% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+  74  18.09 +/- 0.96   0.000% *  0.0069% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD2   LYS+ 121  26.65 +/- 2.33   0.000% *  0.0443% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+ 121  28.27 +/- 2.38   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - QD    LYS+  66  24.76 +/- 0.68   0.000% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  66  24.96 +/- 2.04   0.000% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1567 (4.88, 4.88, 56.57 ppm):
    1 diagonal assignment:
    *     HA    HIS  122 - HA    HIS  122  (1.00)  kept
 
    Peak 1568 (3.45, 4.88, 56.57 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 72.5:
    * O T HB2   HIS  122 - HA    HIS  122   2.59 +/- 0.22  99.997% * 99.8210% (1.00  10.0 10.00   3.44  72.54) = 100.000%  kept
          HA    LYS+ 112 - HA    HIS  122  15.63 +/- 0.73   0.002% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HA    HIS  122  19.66 +/- 1.46   0.001% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1569 (2.76, 4.88, 56.57 ppm):
    5 chemical-shift based assignments, quality = 0.999, support = 3.54, residual support = 72.4:
    * O T HB3   HIS  122 - HA    HIS  122   2.85 +/- 0.24  94.715% * 87.6672% (1.00  10.0 10.00   3.54  72.54) =  99.226%  kept
          QE    LYS+ 121 - HA    HIS  122   6.70 +/- 1.42   5.284% * 12.2515% (0.84   1.0  1.00   3.35  49.31) =   0.774%  kept
          HG2   GLN   30 - HA    HIS  122  20.81 +/- 2.99   0.001% *  0.0299% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    HIS  122  24.96 +/- 3.09   0.000% *  0.0154% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    HIS  122  28.38 +/- 1.84   0.000% *  0.0360% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1570 (4.88, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 72.5:
    * O T HA    HIS  122 - HB2   HIS  122   2.59 +/- 0.22  99.983% * 99.8702% (1.00  10.0 10.00   3.44  72.54) = 100.000%  kept
          HA    VAL   41 - HB2   HIS  122  12.64 +/- 3.27   0.015% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB2   HIS  122  17.65 +/- 1.56   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   HIS  122  21.10 +/- 1.42   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1571 (3.45, 3.45, 31.73 ppm):
    1 diagonal assignment:
    *     HB2   HIS  122 - HB2   HIS  122  (1.00)  kept
 
    Peak 1572 (2.76, 3.45, 31.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.1, residual support = 72.5:
    * O T HB3   HIS  122 - HB2   HIS  122   1.75 +/- 0.00  99.933% * 99.8240% (1.00  10.0 10.00   4.10  72.54) = 100.000%  kept
          QE    LYS+ 121 - HB2   HIS  122   8.10 +/- 1.25   0.067% *  0.0834% (0.84   1.0  1.00   0.02  49.31) =   0.000%
          HG2   GLN   30 - HB2   HIS  122  19.58 +/- 2.86   0.000% *  0.0341% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   HIS  122  26.70 +/- 1.84   0.000% *  0.0410% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   HIS  122  24.26 +/- 3.05   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1573 (4.88, 2.76, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.54, residual support = 72.5:
    * O T HA    HIS  122 - HB3   HIS  122   2.85 +/- 0.24  99.976% * 99.8702% (1.00  10.0 10.00   3.54  72.54) = 100.000%  kept
          HA    VAL   41 - HB3   HIS  122  13.15 +/- 3.09   0.021% *  0.0800% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - HB3   HIS  122  17.46 +/- 1.49   0.003% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   HIS  122  20.57 +/- 1.66   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1574 (3.45, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.1, residual support = 72.5:
    * O T HB2   HIS  122 - HB3   HIS  122   1.75 +/- 0.00  99.999% * 99.8210% (1.00  10.0 10.00   4.10  72.54) = 100.000%  kept
          HA    LYS+ 112 - HB3   HIS  122  13.81 +/- 1.14   0.000% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   HIS  122  17.74 +/- 1.46   0.000% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.11, residual support = 202.9:
    * O T HB2   LEU  123 - HA    LEU  123   2.88 +/- 0.16  99.666% * 98.5720% (1.00  10.0 10.00   6.11 202.92) = 100.000%  kept
        T QD    LYS+  99 - HA    LEU  123  11.86 +/- 3.00   0.040% *  0.4052% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LEU  123   7.86 +/- 0.11   0.253% *  0.0304% (0.31   1.0  1.00   0.02   2.32) =   0.000%
        T QD    LYS+ 106 - HA    LEU  123  15.42 +/- 1.28   0.005% *  0.4419% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LEU  123  12.19 +/- 1.85   0.029% *  0.0336% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    LEU  123  17.75 +/- 3.91   0.003% *  0.0558% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU  123  18.41 +/- 2.70   0.002% *  0.0910% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU  123  21.10 +/- 1.91   0.001% *  0.0984% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU  123  20.08 +/- 1.45   0.001% *  0.0884% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LEU  123  20.41 +/- 2.92   0.001% *  0.0638% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU  123  22.52 +/- 1.34   0.000% *  0.0789% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LEU  123  27.56 +/- 2.74   0.000% *  0.0405% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1578 (1.63, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.61, residual support = 202.9:
    * O T HB3   LEU  123 - HA    LEU  123   2.51 +/- 0.19  99.996% * 99.6484% (1.00  10.0 10.00   5.61 202.92) = 100.000%  kept
          QB    ALA   57 - HA    LEU  123  15.29 +/- 1.07   0.002% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LEU  123  21.14 +/- 3.36   0.000% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LEU  123  20.85 +/- 1.66   0.000% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LEU  123  19.71 +/- 2.36   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LEU  123  23.48 +/- 3.23   0.001% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1579 (1.85, 4.38, 55.67 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.42, residual support = 202.9:
    * O T HG    LEU  123 - HA    LEU  123   3.66 +/- 0.57  79.505% * 98.6685% (0.69  10.0 10.00   5.42 202.92) =  99.984%  kept
          HG3   PRO   68 - HA    LEU  123   9.39 +/- 4.21   6.831% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.012%
          QB    LYS+  66 - HA    LEU  123   6.16 +/- 3.08  13.417% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HA    LEU  123  11.16 +/- 2.01   0.170% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - HA    LEU  123  16.77 +/- 1.88   0.016% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LEU  123  14.70 +/- 1.51   0.027% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  123  18.75 +/- 2.36   0.006% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LEU  123  22.80 +/- 2.67   0.005% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU  123  17.78 +/- 3.39   0.012% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  123  21.08 +/- 3.34   0.004% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  123  18.80 +/- 2.56   0.006% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU  123  22.75 +/- 1.85   0.002% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  123  30.29 +/- 1.38   0.000% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LEU  123  30.22 +/- 2.16   0.000% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.32 A, kept.
 
    Peak 1580 (0.86, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.04, residual support = 202.9:
    *   T QD1   LEU  123 - HA    LEU  123   2.57 +/- 0.73  95.217% * 99.6081% (1.00 10.00   6.04 202.92) =  99.995%  kept
          QG1   VAL   70 - HA    LEU  123   8.76 +/- 3.28   3.953% *  0.0919% (0.92  1.00   0.02   0.02) =   0.004%
          QD1   LEU   71 - HA    LEU  123  14.78 +/- 3.90   0.508% *  0.0996% (1.00  1.00   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    LEU  123   9.66 +/- 2.33   0.266% *  0.0340% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU  123  12.41 +/- 2.92   0.050% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  123  15.53 +/- 1.97   0.008% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 1 structures by 0.25 A, kept.
 
    Peak 1581 (0.82, 4.38, 55.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 202.9:
    *   T QD2   LEU  123 - HA    LEU  123   2.89 +/- 0.25  99.862% * 99.9316% (1.00 10.00   4.75 202.92) = 100.000%  kept
          HG3   LYS+ 121 - HA    LEU  123   9.43 +/- 0.38   0.095% *  0.0486% (0.49  1.00   0.02   2.32) =   0.000%
          HB3   LEU  104 - HA    LEU  123  12.41 +/- 2.92   0.043% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1582 (4.38, 1.68, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.11, residual support = 202.9:
    * O T HA    LEU  123 - HB2   LEU  123   2.88 +/- 0.16  99.964% * 98.7431% (1.00  10.0 10.00   6.11 202.92) = 100.000%  kept
        T HA    LYS+  99 - HB2   LEU  123  16.73 +/- 3.06   0.004% *  0.8565% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LEU  123  13.06 +/- 0.72   0.013% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU  123  15.66 +/- 1.34   0.005% *  0.0968% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU  123  14.55 +/- 1.58   0.007% *  0.0371% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   LEU  123  16.24 +/- 3.39   0.005% *  0.0520% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   LEU  123  23.55 +/- 3.41   0.000% *  0.0953% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LEU  123  19.95 +/- 2.48   0.001% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU  123  25.80 +/- 2.67   0.000% *  0.0337% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.43, residual support = 202.9:
    * O T HG    LEU  123 - HB2   LEU  123   2.36 +/- 0.20  98.488% * 97.8726% (0.69  10.0 10.00   5.43 202.92) = 100.000%  kept
          QB    LYS+  66 - HB2   LEU  123   7.61 +/- 3.07   1.441% *  0.0220% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LEU  123  11.80 +/- 3.95   0.043% *  0.1315% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LEU  123  10.58 +/- 1.98   0.022% *  0.1190% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HB2   LEU  123  14.11 +/- 1.28   0.003% *  0.7496% (0.53   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HB2   LEU  123  18.76 +/- 2.91   0.001% *  0.3962% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LEU  123  18.49 +/- 2.06   0.001% *  0.1278% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LEU  123  22.61 +/- 2.65   0.000% *  0.1236% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LEU  123  18.84 +/- 2.13   0.001% *  0.0586% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LEU  123  16.28 +/- 1.59   0.001% *  0.0250% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   LEU  123  22.70 +/- 2.84   0.000% *  0.1035% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   LEU  123  22.08 +/- 1.90   0.000% *  0.0979% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   LEU  123  29.84 +/- 1.21   0.000% *  0.0922% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LEU  123  30.57 +/- 1.86   0.000% *  0.0807% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1586 (0.86, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 202.9:
    * O T QD1   LEU  123 - HB2   LEU  123   2.64 +/- 0.22  99.851% * 99.6081% (1.00  10.0 10.00   5.98 202.92) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU  123  10.33 +/- 2.84   0.064% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  123  16.19 +/- 3.56   0.024% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  123  10.60 +/- 2.40   0.042% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU  123  12.33 +/- 2.74   0.017% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  123  16.57 +/- 1.82   0.002% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1587 (0.82, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 202.9:
    * O T QD2   LEU  123 - HB2   LEU  123   3.05 +/- 0.22  99.609% * 99.4960% (1.00  10.0 10.00   4.86 202.92) =  99.998%  kept
        T HG3   LYS+ 121 - HB2   LEU  123   8.09 +/- 0.53   0.347% *  0.4843% (0.49   1.0 10.00   0.02   2.32) =   0.002%
          HB3   LEU  104 - HB2   LEU  123  12.33 +/- 2.74   0.044% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1594 (4.38, 1.85, 26.16 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 5.42, residual support = 202.9:
    * O T HA    LEU  123 - HG    LEU  123   3.66 +/- 0.57  99.791% * 99.5102% (0.69  10.0 10.00   5.42 202.92) = 100.000%  kept
          HA    ASP- 113 - HG    LEU  123  12.71 +/- 1.47   0.084% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU  123  15.26 +/- 1.70   0.028% *  0.0975% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG    LEU  123  13.98 +/- 1.63   0.051% *  0.0373% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  123  17.55 +/- 2.96   0.017% *  0.0863% (0.60   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU  123  17.00 +/- 3.17   0.021% *  0.0524% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU  123  24.31 +/- 3.21   0.002% *  0.0960% (0.66   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG    LEU  123  19.98 +/- 2.33   0.005% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG    LEU  123  25.87 +/- 2.58   0.001% *  0.0339% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1595 (1.68, 1.85, 26.16 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 5.43, residual support = 202.9:
    * O T HB2   LEU  123 - HG    LEU  123   2.36 +/- 0.20  99.877% * 96.6014% (0.69  10.0 10.00   5.43 202.92) = 100.000%  kept
        T QD    LYS+  65 - HG    LEU  123  13.01 +/- 2.19   0.011% *  0.3295% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG    LEU  123   7.52 +/- 0.35   0.100% *  0.0298% (0.21   1.0  1.00   0.02   2.32) =   0.000%
        T QD    LYS+ 102 - HG    LEU  123  19.19 +/- 2.48   0.001% *  0.8917% (0.63   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG    LEU  123  18.13 +/- 1.29   0.001% *  0.8664% (0.62   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG    LEU  123  20.41 +/- 2.35   0.000% *  0.9639% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG    LEU  123  13.54 +/- 2.72   0.007% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG    LEU  123  15.17 +/- 1.18   0.002% *  0.0433% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG    LEU  123  19.75 +/- 3.46   0.001% *  0.0547% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG    LEU  123  21.85 +/- 2.13   0.000% *  0.0625% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HG    LEU  123  21.73 +/- 1.97   0.000% *  0.0774% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG    LEU  123  28.32 +/- 2.05   0.000% *  0.0397% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1596 (1.63, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.14, residual support = 202.9:
    * O T HB3   LEU  123 - HG    LEU  123   2.68 +/- 0.12  99.993% * 97.8109% (0.69  10.0 10.00   5.14 202.92) = 100.000%  kept
        T HD3   LYS+ 111 - HG    LEU  123  18.88 +/- 1.45   0.001% *  0.8772% (0.62   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG    LEU  123  14.99 +/- 1.37   0.004% *  0.0848% (0.60   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG    LEU  123  23.22 +/- 2.63   0.000% *  0.9781% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG    LEU  123  22.90 +/- 3.13   0.001% *  0.1936% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG    LEU  123  20.54 +/- 1.87   0.001% *  0.0554% (0.39   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1597 (1.85, 1.85, 26.16 ppm):
    1 diagonal assignment:
    *     HG    LEU  123 - HG    LEU  123  (0.47)  kept
 
    Peak 1598 (0.86, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.61, residual support = 202.9:
    * O T QD1   LEU  123 - HG    LEU  123   2.11 +/- 0.02  99.966% * 99.6081% (0.69  10.0 10.00   5.61 202.92) = 100.000%  kept
          QG1   VAL   70 - HG    LEU  123  10.68 +/- 2.56   0.016% *  0.0919% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  123  10.71 +/- 2.08   0.013% *  0.0340% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HG    LEU  123  13.33 +/- 2.62   0.003% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU  123  16.59 +/- 3.24   0.002% *  0.0996% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  123  16.57 +/- 1.55   0.001% *  0.0832% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1599 (0.82, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.44, residual support = 202.9:
    * O T QD2   LEU  123 - HG    LEU  123   2.12 +/- 0.02  99.980% * 99.9316% (0.69  10.0 10.00   4.44 202.92) = 100.000%  kept
          HG3   LYS+ 121 - HG    LEU  123   9.08 +/- 0.58   0.018% *  0.0486% (0.33   1.0  1.00   0.02   2.32) =   0.000%
          HB3   LEU  104 - HG    LEU  123  13.33 +/- 2.62   0.003% *  0.0198% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1600 (4.38, 0.86, 26.01 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.04, residual support = 202.9:
    *   T HA    LEU  123 - QD1   LEU  123   2.57 +/- 0.73  99.818% * 99.5102% (1.00 10.00   6.04 202.92) = 100.000%  kept
          HA    ASP- 113 - QD1   LEU  123  10.99 +/- 1.16   0.046% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD1   LEU  123  13.51 +/- 2.52   0.028% *  0.0863% (0.87  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD1   LEU  123  12.98 +/- 2.58   0.036% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QD1   LEU  123  12.20 +/- 1.78   0.019% *  0.0975% (0.98  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD1   LEU  123  11.07 +/- 1.84   0.045% *  0.0373% (0.38  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD1   LEU  123  19.08 +/- 2.68   0.003% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD1   LEU  123  15.56 +/- 2.04   0.005% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU  123  20.49 +/- 2.28   0.001% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 5.98, residual support = 202.9:
    * O T HB2   LEU  123 - QD1   LEU  123   2.64 +/- 0.22  98.682% * 99.3293% (1.00  10.0 10.00   5.98 202.92) = 100.000%  kept
          HB2   LYS+ 121 - QD1   LEU  123   5.67 +/- 0.25   1.131% *  0.0307% (0.31   1.0  1.00   0.02   2.32) =   0.000%
          QD    LYS+  99 - QD1   LEU  123  10.39 +/- 2.34   0.070% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - QD1   LEU  123  10.21 +/- 1.99   0.085% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  123  12.09 +/- 0.93   0.013% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  123  15.26 +/- 2.37   0.004% *  0.0917% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  123  15.20 +/- 1.23   0.003% *  0.0891% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  123  16.43 +/- 2.08   0.003% *  0.0991% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD1   LEU  123  15.53 +/- 2.79   0.004% *  0.0562% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  123  17.58 +/- 1.60   0.002% *  0.0795% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD1   LEU  123  17.01 +/- 1.80   0.002% *  0.0643% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD1   LEU  123  22.52 +/- 1.74   0.000% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1602 (1.63, 0.86, 26.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 202.9:
    * O T HB3   LEU  123 - QD1   LEU  123   3.07 +/- 0.23  99.931% * 99.6484% (1.00  10.0 10.00   5.75 202.92) = 100.000%  kept
          QB    ALA   57 - QD1   LEU  123  11.99 +/- 1.52   0.041% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD1   LEU  123  15.81 +/- 1.43   0.006% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD1   LEU  123  16.06 +/- 1.67   0.006% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD1   LEU  123  18.24 +/- 2.10   0.003% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD1   LEU  123  18.57 +/- 2.89   0.012% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.40 A, kept.
 
    Peak 1603 (1.85, 0.86, 26.01 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.61, residual support = 202.9:
    * O T HG    LEU  123 - QD1   LEU  123   2.11 +/- 0.02  95.941% * 98.8924% (0.69  10.0 10.00   5.61 202.92) =  99.999%  kept
          QB    LYS+  66 - QD1   LEU  123   5.39 +/- 2.50   3.770% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HG3   PRO   68 - QD1   LEU  123   8.96 +/- 3.00   0.247% *  0.1329% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD1   LEU  123   8.69 +/- 1.43   0.030% *  0.1203% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   LEU  123  11.54 +/- 0.89   0.004% *  0.0757% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD1   LEU  123  15.25 +/- 1.66   0.001% *  0.1291% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   LEU  123  12.76 +/- 2.14   0.004% *  0.0252% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   LEU  123  18.02 +/- 2.54   0.001% *  0.1249% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU  123  15.37 +/- 1.63   0.001% *  0.0592% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD1   LEU  123  14.99 +/- 2.21   0.001% *  0.0400% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   LEU  123  17.72 +/- 2.01   0.000% *  0.0989% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   LEU  123  18.18 +/- 2.20   0.000% *  0.1045% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   LEU  123  24.26 +/- 1.47   0.000% *  0.0931% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   LEU  123  24.69 +/- 1.44   0.000% *  0.0815% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1604 (0.86, 0.86, 26.01 ppm):
    1 diagonal assignment:
    *     QD1   LEU  123 - QD1   LEU  123  (1.00)  kept
 
    Peak 1605 (0.82, 0.86, 26.01 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.91, residual support = 202.9:
    * O T QD2   LEU  123 - QD1   LEU  123   2.06 +/- 0.08  99.919% * 99.7540% (1.00  10.0 10.00   4.91 202.92) = 100.000%  kept
          HG3   LYS+ 121 - QD1   LEU  123   7.12 +/- 0.72   0.067% *  0.0486% (0.49   1.0  1.00   0.02   2.32) =   0.000%
        T HB3   LEU  104 - QD1   LEU  123  10.24 +/- 2.23   0.014% *  0.1974% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1606 (4.38, 0.82, 23.66 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 202.9:
    *   T HA    LEU  123 - QD2   LEU  123   2.89 +/- 0.25  99.910% * 99.5102% (1.00 10.00   4.75 202.92) = 100.000%  kept
          HA    ASP- 113 - QD2   LEU  123  12.04 +/- 1.36   0.023% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - QD2   LEU  123  13.69 +/- 1.58   0.010% *  0.0975% (0.98  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD2   LEU  123  15.31 +/- 2.81   0.011% *  0.0863% (0.87  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU  123  12.14 +/- 1.61   0.023% *  0.0373% (0.38  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - QD2   LEU  123  14.70 +/- 2.96   0.015% *  0.0524% (0.53  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU  123  16.36 +/- 2.28   0.004% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QD2   LEU  123  20.68 +/- 3.09   0.001% *  0.0960% (0.97  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU  123  21.11 +/- 2.48   0.001% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.10 A, kept.
 
    Peak 1607 (1.68, 0.82, 23.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 202.9:
    * O T HB2   LEU  123 - QD2   LEU  123   3.05 +/- 0.22  99.355% * 99.0560% (1.00  10.0 10.00   4.86 202.92) =  99.999%  kept
        T HB2   LYS+ 121 - QD2   LEU  123   7.97 +/- 0.11   0.336% *  0.3057% (0.31   1.0 10.00   0.02   2.32) =   0.001%
          QD    LYS+  65 - QD2   LEU  123  10.52 +/- 2.10   0.182% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD2   LEU  123  11.77 +/- 2.61   0.090% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU  123  14.08 +/- 1.01   0.012% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU  123  16.98 +/- 2.36   0.006% *  0.0914% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU  123  16.64 +/- 3.26   0.007% *  0.0561% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU  123  16.66 +/- 1.10   0.004% *  0.0888% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU  123  18.23 +/- 2.00   0.003% *  0.0988% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD2   LEU  123  18.86 +/- 1.95   0.002% *  0.0641% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU  123  19.52 +/- 1.62   0.002% *  0.0793% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU  123  24.62 +/- 1.76   0.000% *  0.0407% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1608 (1.63, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.45, residual support = 202.9:
    * O T HB3   LEU  123 - QD2   LEU  123   2.21 +/- 0.18  99.995% * 99.6484% (1.00  10.0 10.00   4.45 202.92) = 100.000%  kept
          QB    ALA   57 - QD2   LEU  123  13.03 +/- 1.30   0.003% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU  123  17.30 +/- 1.22   0.001% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD2   LEU  123  19.47 +/- 2.55   0.000% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD2   LEU  123  17.76 +/- 1.69   0.001% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD2   LEU  123  19.91 +/- 2.58   0.000% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1609 (1.85, 0.82, 23.66 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.44, residual support = 202.9:
    * O T HG    LEU  123 - QD2   LEU  123   2.12 +/- 0.02  98.590% * 98.6685% (0.69  10.0 10.00   4.44 202.92) = 100.000%  kept
          QB    LYS+  66 - QD2   LEU  123   6.11 +/- 2.46   1.276% *  0.0222% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD2   LEU  123   9.46 +/- 3.41   0.122% *  0.1326% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD2   LEU  123  11.00 +/- 1.46   0.007% *  0.1200% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD2   LEU  123  14.43 +/- 2.05   0.002% *  0.2516% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD2   LEU  123  13.57 +/- 0.90   0.002% *  0.0756% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QD2   LEU  123  17.44 +/- 1.69   0.000% *  0.1288% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD2   LEU  123  19.41 +/- 2.22   0.000% *  0.1246% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  123  19.34 +/- 2.05   0.000% *  0.0987% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD2   LEU  123  19.48 +/- 2.53   0.000% *  0.1043% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  123  17.59 +/- 1.72   0.000% *  0.0591% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QD2   LEU  123  17.00 +/- 2.46   0.000% *  0.0399% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD2   LEU  123  26.31 +/- 1.42   0.000% *  0.0929% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD2   LEU  123  26.50 +/- 1.40   0.000% *  0.0813% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1610 (0.86, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.91, residual support = 202.9:
    * O T QD1   LEU  123 - QD2   LEU  123   2.06 +/- 0.08  99.927% * 99.6081% (1.00  10.0 10.00   4.91 202.92) = 100.000%  kept
          QG1   VAL   70 - QD2   LEU  123   9.05 +/- 2.39   0.042% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  123   9.57 +/- 1.71   0.022% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  123  14.07 +/- 2.98   0.004% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU  123  12.33 +/- 2.32   0.004% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD2   LEU  123  14.15 +/- 1.43   0.001% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 9.31:
    * O T QB    ALA  124 - HA    ALA  124   2.13 +/- 0.02  99.774% * 97.4620% (1.00  10.0 10.00   1.00   9.31) = 100.000%  kept
        T HB2   LEU   31 - HA    ALA   34   7.68 +/- 0.16   0.046% *  0.0730% (0.07   1.0 10.00   0.02   5.14) =   0.000%
          HG2   LYS+  38 - HA    ALA   34   6.54 +/- 0.27   0.125% *  0.0025% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   34   9.96 +/- 1.20   0.014% *  0.0111% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA  124  13.98 +/- 1.82   0.002% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA  124  14.60 +/- 4.28   0.003% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   34   8.90 +/- 0.97   0.025% *  0.0035% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ALA   34  17.59 +/- 4.09   0.001% *  0.1128% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA  124  18.80 +/- 3.24   0.000% *  0.0955% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   31 - HA    ALA  124  25.38 +/- 3.91   0.000% *  0.6305% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA  124  27.56 +/- 1.85   0.000% *  0.8997% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA   34  19.83 +/- 0.90   0.000% *  0.1042% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA  124  21.14 +/- 2.54   0.000% *  0.0941% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA  124  17.83 +/- 1.97   0.000% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   34  11.14 +/- 0.69   0.005% *  0.0020% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA  124  20.09 +/- 5.30   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA  124  22.97 +/- 1.57   0.000% *  0.0874% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   34  16.48 +/- 0.59   0.000% *  0.0109% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   34  16.69 +/- 1.11   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA  124  20.12 +/- 3.66   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA  124  23.27 +/- 1.67   0.000% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   34  14.01 +/- 1.61   0.002% *  0.0022% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA  124  21.07 +/- 1.35   0.000% *  0.0243% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA  124  22.31 +/- 3.38   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   34  19.66 +/- 2.15   0.000% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   34  17.49 +/- 0.77   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA  124  31.08 +/- 3.17   0.000% *  0.0780% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   34  22.13 +/- 1.28   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   34  28.58 +/- 2.02   0.000% *  0.0064% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   34  28.70 +/- 1.82   0.000% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1629 (1.35, 1.35, 61.60 ppm):
    1 diagonal assignment:
    *     QB    ALA  124 - QB    ALA  124  (1.00)  kept
 
    Peak 1630 (4.11, 1.35, 61.60 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 9.31:
    * O T HA    ALA  124 - QB    ALA  124   2.13 +/- 0.02  99.997% * 98.8388% (1.00  10.0 10.00   1.00   9.31) = 100.000%  kept
        T HA    ALA   34 - QB    ALA  124  17.59 +/- 4.09   0.001% *  0.3371% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA  124  14.18 +/- 0.63   0.001% *  0.0481% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   28 - QB    ALA  124  23.71 +/- 3.35   0.000% *  0.5200% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA  124  21.11 +/- 2.21   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA  124  21.25 +/- 4.53   0.000% *  0.0639% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA  124  18.45 +/- 3.64   0.000% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA  124  29.66 +/- 2.37   0.000% *  0.0755% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1633 (1.63, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.56, residual support = 202.9:
    * O T HB3   LEU  123 - HB2   LEU  123   1.75 +/- 0.00 100.000% * 97.4949% (1.00  10.0 10.00   5.56 202.92) = 100.000%  kept
        T HD3   LYS+ 111 - HB2   LEU  123  19.04 +/- 1.60   0.000% *  0.8744% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB2   LEU  123  20.53 +/- 2.18   0.000% *  0.5520% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LEU  123  22.82 +/- 2.83   0.000% *  0.9749% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   LEU  123  15.39 +/- 1.13   0.000% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   LEU  123  23.25 +/- 3.14   0.000% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1634 (1.63, 1.63, 43.16 ppm):
    1 diagonal assignment:
    *     HB3   LEU  123 - HB3   LEU  123  (1.00)  kept
 
    Peak 1635 (1.68, 1.63, 43.16 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.56, residual support = 202.9:
      O T HB2   LEU  123 - HB3   LEU  123   1.75 +/- 0.00  99.987% * 96.4170% (0.99  10.0 10.00   5.56 202.92) = 100.000%  kept
          HB2   LYS+ 121 - HB3   LEU  123   8.17 +/- 0.42   0.011% *  0.0365% (0.38   1.0  1.00   0.02   2.32) =   0.000%
        T QD    LYS+  65 - HB3   LEU  123  13.23 +/- 2.15   0.001% *  0.3999% (0.41   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB3   LEU  123  19.36 +/- 2.70   0.000% *  0.9388% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LEU  123  19.32 +/- 3.80   0.000% *  0.6293% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU  123  19.60 +/- 1.36   0.000% *  0.8125% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU  123  13.26 +/- 2.90   0.001% *  0.0332% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU  123  15.87 +/- 1.44   0.000% *  0.0365% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU  123  21.65 +/- 1.91   0.000% *  0.0971% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HB3   LEU  123  29.04 +/- 2.64   0.000% *  0.4735% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB3   LEU  123  22.22 +/- 2.77   0.000% *  0.0551% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU  123  22.98 +/- 1.48   0.000% *  0.0706% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1636 (0.86, 1.63, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 202.9:
    * O T QD1   LEU  123 - HB3   LEU  123   3.07 +/- 0.23  99.521% * 99.6081% (1.00  10.0 10.00   5.75 202.92) = 100.000%  kept
          QG1   VAL   70 - HB3   LEU  123  10.54 +/- 3.11   0.288% *  0.0919% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB3   LEU  123  16.50 +/- 3.77   0.069% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB3   LEU  123  11.19 +/- 2.41   0.093% *  0.0340% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  13.50 +/- 2.93   0.024% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB3   LEU  123  16.95 +/- 1.96   0.005% *  0.0832% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1637 (0.82, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.45, residual support = 202.9:
    * O T QD2   LEU  123 - HB3   LEU  123   2.21 +/- 0.18  99.962% * 99.9316% (1.00  10.0 10.00   4.45 202.92) = 100.000%  kept
          HG3   LYS+ 121 - HB3   LEU  123   9.57 +/- 0.67   0.031% *  0.0486% (0.49   1.0  1.00   0.02   2.32) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  13.50 +/- 2.93   0.007% *  0.0198% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1638 (1.85, 1.63, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.14, residual support = 202.9:
    * O T HG    LEU  123 - HB3   LEU  123   2.68 +/- 0.12  96.771% * 95.7694% (0.69  10.0 10.00   5.14 202.92) =  99.998%  kept
        T HG3   PRO   68 - HB3   LEU  123  11.45 +/- 4.23   0.122% *  1.2870% (0.92   1.0 10.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HB3   LEU  123   7.49 +/- 3.22   3.077% *  0.0215% (0.15   1.0  1.00   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HB3   LEU  123  11.97 +/- 2.11   0.021% *  0.1165% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB3   LEU  123  23.37 +/- 2.50   0.000% *  1.2094% (0.87   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB3   LEU  123  22.97 +/- 3.16   0.000% *  1.0124% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   LEU  123  15.36 +/- 1.39   0.003% *  0.0734% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   LEU  123  19.77 +/- 2.26   0.001% *  0.1250% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   LEU  123  20.04 +/- 2.36   0.001% *  0.0573% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   LEU  123  17.25 +/- 1.52   0.002% *  0.0244% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   LEU  123  19.59 +/- 3.16   0.001% *  0.0388% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB3   LEU  123  23.11 +/- 1.69   0.000% *  0.0958% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   LEU  123  31.07 +/- 1.25   0.000% *  0.0902% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   LEU  123  31.45 +/- 2.05   0.000% *  0.0789% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1639 (4.38, 1.63, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.61, residual support = 202.9:
    * O T HA    LEU  123 - HB3   LEU  123   2.51 +/- 0.19  99.988% * 99.5102% (1.00  10.0 10.00   5.61 202.92) = 100.000%  kept
          HA    ASP- 113 - HB3   LEU  123  14.18 +/- 0.90   0.004% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  123  16.52 +/- 1.20   0.001% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  123  17.45 +/- 3.35   0.001% *  0.0863% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  123  14.98 +/- 1.54   0.003% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   LEU  123  16.83 +/- 3.68   0.002% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LEU  123  19.79 +/- 2.87   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   LEU  123  24.06 +/- 3.74   0.000% *  0.0960% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  123  25.50 +/- 3.05   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1657 (1.50, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.995, support = 5.4, residual support = 315.2:
    * O   HD2   LYS+ 121 - HD3   LYS+ 121   1.75 +/- 0.00  97.825% * 76.1572% (1.00  10.0   5.39 315.24) =  99.347%  kept
      O   HB3   LYS+ 121 - HD3   LYS+ 121   3.76 +/- 0.46   2.084% * 23.5057% (0.31  10.0   7.10 315.24) =   0.653%  kept
          QD    LYS+  66 - HD3   LYS+ 121  12.04 +/- 3.35   0.072% *  0.0610% (0.80   1.0   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 121  10.66 +/- 2.92   0.012% *  0.0235% (0.31   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 121  13.60 +/- 3.62   0.005% *  0.0133% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HD3   LYS+ 121  13.17 +/- 3.11   0.001% *  0.0170% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD3   LYS+ 121  17.68 +/- 2.29   0.000% *  0.0755% (0.99   1.0   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 121  21.79 +/- 2.32   0.000% *  0.0735% (0.97   1.0   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD3   LYS+ 121  21.20 +/- 2.23   0.000% *  0.0582% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD3   LYS+ 121  20.20 +/- 2.22   0.000% *  0.0151% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1658 (1.41, 1.41, 29.95 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 121 - HD3   LYS+ 121  (1.00)  kept
 
    Peak 1659 (1.15, 1.41, 29.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 315.2:
    * O   HG2   LYS+ 121 - HD3   LYS+ 121   2.74 +/- 0.30  99.719% * 99.7211% (1.00  10.0   6.28 315.24) = 100.000%  kept
          QG2   VAL  107 - HD3   LYS+ 121   8.71 +/- 0.98   0.167% *  0.0921% (0.92   1.0   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+ 121   9.27 +/- 0.70   0.094% *  0.0308% (0.31   1.0   0.02   2.06) =   0.000%
          HG13  ILE  103 - HD3   LYS+ 121  13.19 +/- 2.22   0.018% *  0.0485% (0.49   1.0   0.02   0.02) =   0.000%
          QB    ALA   20 - HD3   LYS+ 121  21.20 +/- 2.01   0.001% *  0.0799% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+ 121  21.62 +/- 2.87   0.001% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1660 (0.80, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 315.2:
    * O T HG3   LYS+ 121 - HD3   LYS+ 121   2.53 +/- 0.31  99.907% * 98.9917% (1.00  10.0 10.00   5.98 315.24) = 100.000%  kept
        T QD1   ILE   56 - HD3   LYS+ 121  11.61 +/- 1.40   0.014% *  0.6004% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+ 121   9.17 +/- 0.69   0.076% *  0.0482% (0.49   1.0  1.00   0.02   2.32) =   0.000%
        T QD2   LEU   73 - HD3   LYS+ 121  16.35 +/- 1.99   0.002% *  0.3377% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+ 121  21.59 +/- 2.61   0.000% *  0.0220% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1661 (1.66, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.07, residual support = 315.2:
    * O   HB2   LYS+ 121 - HD3   LYS+ 121   3.15 +/- 0.26  99.269% * 99.2313% (1.00  10.0  1.00   7.07 315.24) = 100.000%  kept
          HB2   LEU  123 - HD3   LYS+ 121   8.09 +/- 0.93   0.654% *  0.0306% (0.31   1.0  1.00   0.02   2.32) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+ 121  15.33 +/- 3.49   0.015% *  0.2759% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HD3   LYS+ 121  14.08 +/- 2.88   0.035% *  0.0522% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD3   LYS+ 121  16.80 +/- 1.93   0.007% *  0.0990% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   LYS+ 121  18.08 +/- 3.25   0.005% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+ 121  15.83 +/- 1.51   0.008% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD3   LYS+ 121  19.87 +/- 2.28   0.002% *  0.0602% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+ 121  18.17 +/- 1.96   0.004% *  0.0338% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+ 121  24.84 +/- 2.80   0.001% *  0.0973% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1662 (2.75, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.88, residual support = 315.2:
    * O   QE    LYS+ 121 - HD3   LYS+ 121   2.41 +/- 0.13  99.846% * 99.7880% (1.00  10.0   5.88 315.24) = 100.000%  kept
          HB3   HIS  122 - HD3   LYS+ 121   7.84 +/- 1.02   0.154% *  0.0833% (0.84   1.0   0.02  49.31) =   0.000%
          HG2   GLN   30 - HD3   LYS+ 121  23.92 +/- 3.08   0.000% *  0.0685% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+ 121  26.81 +/- 2.81   0.000% *  0.0447% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+ 121  28.75 +/- 2.73   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1663 (3.94, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.64, residual support = 315.1:
    *   T HA    LYS+ 121 - HD3   LYS+ 121   3.89 +/- 0.71  68.868% * 99.1042% (1.00 10.00   6.65 315.24) =  99.962%  kept
          QB    SER  117 - HD3   LYS+ 121   5.37 +/- 2.11  29.195% *  0.0828% (0.84  1.00   0.02   0.02) =   0.035%
          HA    ALA  120 - HD3   LYS+ 121   7.22 +/- 0.89   1.699% *  0.0757% (0.76  1.00   0.02   1.49) =   0.002%
        T HA    LYS+  65 - HD3   LYS+ 121  17.41 +/- 2.77   0.035% *  0.3381% (0.34 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 121  15.90 +/- 1.64   0.043% *  0.0982% (0.99  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+ 121  13.64 +/- 1.62   0.121% *  0.0276% (0.28  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 121  24.09 +/- 3.50   0.023% *  0.0982% (0.99  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 121  20.95 +/- 3.34   0.012% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 121  24.56 +/- 2.72   0.003% *  0.0937% (0.95  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 121  25.99 +/- 2.10   0.002% *  0.0407% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1665 (1.50, 1.52, 32.89 ppm):
    1 diagonal assignment:
          HB3   LYS+ 121 - HB3   LYS+ 121  (0.26)  kept
    Reference assignment not found: HD2   LYS+ 121 - HB3   LYS+ 121
 
    Peak 1666 (1.52, 1.52, 32.89 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 121 - HB3   LYS+ 121  (0.70)  kept
 
    Peak 1667 (1.15, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 7.76, residual support = 315.2:
    * O T HG2   LYS+ 121 - HB3   LYS+ 121   2.68 +/- 0.19  99.749% * 99.7211% (0.84  10.0 10.00   7.76 315.24) = 100.000%  kept
          QG2   VAL  107 - HB3   LYS+ 121   8.73 +/- 0.46   0.097% *  0.0921% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB3   LYS+ 121   8.30 +/- 0.44   0.134% *  0.0308% (0.26   1.0  1.00   0.02   2.06) =   0.000%
          HG13  ILE  103 - HB3   LYS+ 121  11.96 +/- 1.98   0.018% *  0.0485% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB3   LYS+ 121  19.86 +/- 1.61   0.001% *  0.0799% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB3   LYS+ 121  19.80 +/- 2.50   0.001% *  0.0277% (0.23   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1668 (0.80, 1.52, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 7.09, residual support = 315.2:
    * O T HG3   LYS+ 121 - HB3   LYS+ 121   2.41 +/- 0.20  99.910% * 99.5295% (0.84  10.0 10.00   7.09 315.24) = 100.000%  kept
          QD2   LEU  123 - HB3   LYS+ 121   8.26 +/- 0.28   0.069% *  0.0484% (0.41   1.0  1.00   0.02   2.32) =   0.000%
          QD1   ILE   56 - HB3   LYS+ 121  11.25 +/- 1.35   0.018% *  0.0604% (0.51   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HB3   LYS+ 121  14.74 +/- 1.59   0.003% *  0.3395% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   LYS+ 121  19.85 +/- 2.43   0.000% *  0.0222% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1669 (1.66, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.91, residual support = 315.2:
    * O T HB2   LYS+ 121 - HB3   LYS+ 121   1.75 +/- 0.00  99.972% * 97.1314% (0.84  10.0 10.00   8.91 315.24) = 100.000%  kept
          HB2   LEU  123 - HB3   LYS+ 121   7.00 +/- 0.33   0.025% *  0.0300% (0.26   1.0  1.00   0.02   2.32) =   0.000%
        T QD    LYS+ 102 - HB3   LYS+ 121  13.19 +/- 2.49   0.001% *  0.5110% (0.44   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LYS+ 121  15.72 +/- 1.45   0.000% *  0.9692% (0.83   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LYS+ 121  16.37 +/- 2.94   0.000% *  0.8711% (0.75   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB3   LYS+ 121  16.36 +/- 2.57   0.000% *  0.2701% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HB3   LYS+ 121  15.22 +/- 1.41   0.000% *  0.0300% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB3   LYS+ 121  18.44 +/- 1.99   0.000% *  0.0589% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+ 121  17.87 +/- 1.73   0.000% *  0.0331% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+ 121  23.62 +/- 2.63   0.000% *  0.0952% (0.82   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1670 (2.75, 1.52, 32.89 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 6.81, residual support = 283.2:
    *     QE    LYS+ 121 - HB3   LYS+ 121   4.13 +/- 0.26  81.718% * 61.2043% (0.84  1.00   7.04 315.24) =  87.951%  kept
          HB3   HIS  122 - HB3   LYS+ 121   5.52 +/- 0.80  18.273% * 37.4964% (0.70  1.00   5.16  49.31) =  12.049%  kept
        T HG2   GLN   30 - HB3   LYS+ 121  22.03 +/- 2.74   0.005% *  1.1946% (0.57 10.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB3   LYS+ 121  25.13 +/- 2.49   0.002% *  0.0780% (0.37  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB3   LYS+ 121  27.75 +/- 2.12   0.001% *  0.0268% (0.13  1.00   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 8.28, residual support = 315.2:
    * O T HA    LYS+ 121 - HB3   LYS+ 121   2.74 +/- 0.14  98.709% * 99.1042% (0.84  10.0 10.00   8.28 315.24) =  99.999%  kept
          HA    ALA  120 - HB3   LYS+ 121   6.29 +/- 0.25   0.714% *  0.0757% (0.64   1.0  1.00   0.02   1.49) =   0.001%
          QB    SER  117 - HB3   LYS+ 121   6.76 +/- 0.62   0.550% *  0.0828% (0.70   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB3   LYS+ 121  15.93 +/- 2.14   0.004% *  0.3381% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HB3   LYS+ 121  12.22 +/- 1.16   0.016% *  0.0276% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LYS+ 121  15.22 +/- 0.92   0.004% *  0.0982% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LYS+ 121  23.64 +/- 3.47   0.002% *  0.0982% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LYS+ 121  19.27 +/- 2.46   0.001% *  0.0407% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LYS+ 121  23.90 +/- 2.00   0.000% *  0.0937% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LYS+ 121  25.20 +/- 1.88   0.000% *  0.0407% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1672 (1.52, 1.66, 32.89 ppm):
    9 chemical-shift based assignments, quality = 0.804, support = 8.71, residual support = 315.2:
    * O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  79.830% * 55.3563% (0.84  10.0 10.00   8.91 315.24) =  83.645%  kept
      O T HD2   LYS+ 121 - HB2   LYS+ 121   2.30 +/- 0.39  20.154% * 42.8727% (0.65  10.0 10.00   7.69 315.24) =  16.355%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  10.50 +/- 2.83   0.010% *  0.6396% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121   9.99 +/- 2.38   0.005% *  0.0554% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  15.69 +/- 1.82   0.000% *  0.3752% (0.57   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  12.73 +/- 2.11   0.001% *  0.0481% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  18.36 +/- 1.76   0.000% *  0.4552% (0.69   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.37 +/- 1.58   0.000% *  0.1653% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  20.44 +/- 1.74   0.000% *  0.0323% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1674 (1.52, 3.94, 58.66 ppm):
    18 chemical-shift based assignments, quality = 0.761, support = 7.93, residual support = 309.7:
    * O T HB3   LYS+ 121 - HA    LYS+ 121   2.74 +/- 0.14  38.671% * 52.0655% (0.84  10.0 10.00   8.28 315.24) =  72.394%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.48 +/- 0.64  16.564% * 40.3240% (0.65   1.0 10.00   7.28 315.24) =  24.015%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.79 +/- 0.54  44.135% *  2.2150% (0.04  10.0 10.00   5.27 164.17) =   3.515%  kept
        T QD    LYS+  66 - HA    LYS+  65   5.76 +/- 0.58   0.560% *  3.7757% (0.06   1.0 10.00   5.45  25.34) =   0.076%
        T QD    LYS+  66 - HA    LYS+ 121  10.58 +/- 2.90   0.034% *  0.6016% (0.97   1.0 10.00   0.02   0.02) =   0.001%
          HG    LEU  104 - HA    LYS+ 121  10.71 +/- 2.94   0.019% *  0.0521% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  16.81 +/- 1.83   0.001% *  0.3529% (0.57   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  12.86 +/- 2.13   0.005% *  0.0269% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  20.67 +/- 1.73   0.000% *  0.4282% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.99 +/- 1.73   0.002% *  0.0453% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  15.93 +/- 2.14   0.001% *  0.0327% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  16.38 +/- 2.56   0.002% *  0.0253% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  21.90 +/- 1.91   0.000% *  0.0303% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  13.21 +/- 1.70   0.004% *  0.0010% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.55 +/- 1.56   0.000% *  0.0155% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.47 +/- 1.52   0.001% *  0.0019% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  18.22 +/- 1.81   0.001% *  0.0033% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.54 +/- 1.47   0.000% *  0.0028% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1675 (1.41, 3.94, 58.66 ppm):
    28 chemical-shift based assignments, quality = 0.974, support = 6.61, residual support = 311.3:
    *   T HD3   LYS+ 121 - HA    LYS+ 121   3.89 +/- 0.71  30.433% * 97.6597% (1.00   1.0 10.00   6.65 315.24) =  97.359%  kept
      O T HG3   LYS+  65 - HA    LYS+  65   3.06 +/- 0.60  66.455% *  1.2130% (0.01  10.0 10.00   5.27 164.17) =   2.641%  kept
          QB    ALA   61 - HA    LYS+  65   5.83 +/- 0.44   1.708% *  0.0019% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+  65   6.53 +/- 0.84   1.209% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  13.43 +/- 2.17   0.014% *  0.0847% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  17.15 +/- 1.77   0.003% *  0.1933% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 121  13.73 +/- 3.92   0.026% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  17.41 +/- 2.77   0.006% *  0.0613% (0.06   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 121  15.37 +/- 0.94   0.005% *  0.0514% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 121  14.42 +/- 0.78   0.007% *  0.0301% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  14.34 +/- 2.43   0.010% *  0.0193% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  65  11.51 +/- 1.84   0.048% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  23.77 +/- 2.81   0.000% *  0.2435% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  14.01 +/- 1.54   0.012% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  22.32 +/- 1.43   0.001% *  0.0974% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 121  22.30 +/- 2.48   0.001% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  11.42 +/- 0.86   0.034% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  14.31 +/- 1.29   0.009% *  0.0037% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  18.98 +/- 1.80   0.002% *  0.0153% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  24.79 +/- 2.81   0.000% *  0.0592% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  19.84 +/- 2.45   0.001% *  0.0151% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+ 121  27.24 +/- 2.68   0.000% *  0.0942% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.90 +/- 0.84   0.003% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 121  27.46 +/- 2.92   0.000% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  65  17.73 +/- 1.93   0.002% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  14.76 +/- 1.23   0.008% *  0.0009% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  65  22.74 +/- 1.14   0.001% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  65  22.75 +/- 1.65   0.001% *  0.0030% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1676 (2.75, 2.75, 41.87 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 121 - QE    LYS+ 121  (1.00)  kept
 
    Peak 1684 (0.24, 0.24, 62.25 ppm):
    1 diagonal assignment:
    *     QG2   THR  118 - QG2   THR  118  (0.80)  kept
 
    Peak 1685 (3.69, 3.69, 26.01 ppm):
    1 diagonal assignment:
    *     HA    THR  118 - HA    THR  118  (0.80)  kept
 
    Peak 1686 (3.88, 3.88, 26.66 ppm):
    1 diagonal assignment:
    *     HB    THR  118 - HB    THR  118  (1.00)  kept
 
    Peak 1694 (1.98, 1.46, 42.01 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.14, residual support = 227.5:
    * O T HB2   LEU  115 - HB3   LEU  115   1.75 +/- 0.00  99.705% * 98.6779% (1.00  10.0 10.00   6.14 227.54) = 100.000%  kept
          QB    GLU- 114 - HB3   LEU  115   5.17 +/- 0.66   0.231% *  0.0305% (0.31   1.0  1.00   0.02  15.24) =   0.000%
          HG3   PRO   58 - HB3   LEU  115   8.10 +/- 1.60   0.033% *  0.0985% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU   40   8.76 +/- 2.36   0.022% *  0.0927% (0.09   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  14.59 +/- 2.03   0.000% *  0.7902% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.35 +/- 1.13   0.001% *  0.0274% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU   40   9.72 +/- 1.40   0.005% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  15.05 +/- 1.65   0.000% *  0.0519% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HB3   LEU   40  18.38 +/- 1.27   0.000% *  0.1158% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU  115  17.45 +/- 2.23   0.000% *  0.0442% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU   40  11.96 +/- 1.25   0.001% *  0.0043% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU  115  18.72 +/- 1.71   0.000% *  0.0370% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  14.33 +/- 1.52   0.000% *  0.0061% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   40  20.92 +/- 1.74   0.000% *  0.0116% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   40  17.12 +/- 1.39   0.000% *  0.0036% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  24.90 +/- 2.53   0.000% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 6.24, residual support = 231.7:
    * O T HB2   LYS+ 112 - HB3   LYS+ 112   1.75 +/- 0.00  99.995% * 98.3538% (1.00  10.0 10.00   6.24 231.66) = 100.000%  kept
          HB3   PRO   93 - HB3   LYS+ 112  11.44 +/- 1.96   0.003% *  0.0479% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   42 - HB3   LYS+ 112  19.62 +/- 1.67   0.000% *  0.9304% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HB3   LYS+ 112  17.24 +/- 2.47   0.000% *  0.0930% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LYS+ 112  16.65 +/- 0.72   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 112  15.85 +/- 2.57   0.001% *  0.0152% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB3   LYS+ 112  21.97 +/- 2.31   0.000% *  0.0964% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 112  17.88 +/- 0.97   0.000% *  0.0245% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 112  20.36 +/- 1.84   0.000% *  0.0441% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - HB3   LYS+ 112  20.67 +/- 0.98   0.000% *  0.0273% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 112  22.43 +/- 1.85   0.000% *  0.0335% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HB3   LYS+ 112  26.56 +/- 1.83   0.000% *  0.0975% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB3   LYS+ 112  28.24 +/- 2.90   0.000% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HB3   LYS+ 112  30.87 +/- 1.91   0.000% *  0.0882% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1710 (1.19, 1.19, 32.81 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 112 - HB3   LYS+ 112  (1.00)  kept
 
    Peak 1716 (1.20, 1.11, 29.98 ppm):
    6 chemical-shift based assignments, quality = 0.934, support = 4.35, residual support = 231.7:
    * O   HD2   LYS+ 112 - HD3   LYS+ 112   1.75 +/- 0.00  93.262% * 56.6026% (0.95  10.0   4.27 231.66) =  94.796%  kept
      O   HB3   LYS+ 112 - HD3   LYS+ 112   3.07 +/- 0.61   6.700% * 43.2573% (0.72  10.0   5.68 231.66) =   5.204%  kept
          HG3   LYS+ 111 - HD3   LYS+ 112   8.33 +/- 1.60   0.037% *  0.0212% (0.36   1.0   0.02  28.11) =   0.000%
          QG2   THR   94 - HD3   LYS+ 112  12.48 +/- 1.69   0.001% *  0.0453% (0.76   1.0   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 112  21.21 +/- 3.59   0.000% *  0.0175% (0.29   1.0   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 112  23.64 +/- 2.78   0.000% *  0.0561% (0.94   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1717 (1.11, 1.11, 29.98 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 112 - HD3   LYS+ 112  (0.89)  kept
 
    Peak 1724 (2.02, 1.53, 33.52 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.85, residual support = 315.3:
    * O   HB2   LYS+ 111 - HB3   LYS+ 111   1.75 +/- 0.00  82.400% * 99.3620% (1.00  10.0   6.85 315.37) =  99.988%  kept
          QB    GLU- 114 - HB3   LYS+ 111   3.35 +/- 1.75  17.598% *  0.0563% (0.57   1.0   0.02   0.02) =   0.012%
          HB    ILE  119 - HB3   LYS+ 111  10.61 +/- 1.00   0.002% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LYS+ 111  23.34 +/- 2.27   0.000% *  0.0985% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   LYS+ 111  23.50 +/- 2.27   0.000% *  0.0862% (0.87   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LYS+ 111  24.22 +/- 1.55   0.000% *  0.0985% (0.99   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LYS+ 111  22.62 +/- 3.11   0.000% *  0.0408% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LYS+ 111  23.42 +/- 2.08   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LYS+ 111  29.81 +/- 2.76   0.000% *  0.0891% (0.90   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB3   LYS+ 111  27.28 +/- 2.49   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   LYS+ 111  25.59 +/- 2.18   0.000% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   LYS+ 111  26.83 +/- 2.48   0.000% *  0.0276% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1725 (1.53, 1.53, 33.52 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 111 - HB3   LYS+ 111  (1.00)  kept
 
    Peak 1743 (1.09, 1.09, 63.87 ppm):
    1 diagonal assignment:
    *     QG1   VAL  107 - QG1   VAL  107  (1.00)  kept
 
    Peak 1745 (1.15, 1.15, 62.58 ppm):
    1 diagonal assignment:
    *     QG2   VAL  107 - QG2   VAL  107  (1.00)  kept
 
    Peak 1747 (1.09, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 57.9:
    * O T QG1   VAL  107 - HA    VAL  107   2.24 +/- 0.25  99.928% * 99.7711% (1.00  10.0 10.00   4.31  57.91) = 100.000%  kept
          HD3   LYS+ 112 - HA    VAL  107  11.31 +/- 1.38   0.014% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107   8.60 +/- 0.80   0.041% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    VAL  107  10.29 +/- 1.32   0.016% *  0.0154% (0.15   1.0  1.00   0.02   0.43) =   0.000%
          QG1   VAL   24 - HA    VAL  107  16.76 +/- 1.55   0.001% *  0.0833% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    VAL  107  18.25 +/- 1.54   0.001% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.95 +/- 0.75   0.000% *  0.0175% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1748 (1.15, 4.48, 62.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.56, residual support = 57.9:
    * O T QG2   VAL  107 - HA    VAL  107   2.70 +/- 0.22  99.780% * 99.7501% (1.00  10.0 10.00   3.56  57.91) = 100.000%  kept
          HG2   LYS+ 121 - HA    VAL  107  10.19 +/- 1.05   0.060% *  0.0921% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    VAL  107  10.77 +/- 0.87   0.031% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107   8.60 +/- 0.80   0.127% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    VAL  107  18.14 +/- 1.04   0.001% *  0.0565% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.95 +/- 0.75   0.001% *  0.0135% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1750 (1.86, 4.80, 54.18 ppm):
    14 chemical-shift based assignments, quality = 0.998, support = 3.19, residual support = 42.5:
    * O T HB3   ASP- 105 - HA    ASP- 105   3.00 +/- 0.07  88.789% * 83.8440% (1.00  10.0 10.00   3.18  42.75) =  98.620%  kept
          QB    LYS+ 106 - HA    ASP- 105   4.66 +/- 0.17   6.701% * 15.5221% (0.87   1.0  1.00   4.27  21.58) =   1.378%  kept
          HB3   PRO   52 - HA    ASP- 105  18.35 +/- 4.10   3.375% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HB    ILE  103 - HA    ASP- 105   6.68 +/- 0.27   0.779% *  0.0831% (0.99   1.0  1.00   0.02   2.31) =   0.001%
          HG12  ILE  103 - HA    ASP- 105   7.73 +/- 0.37   0.322% *  0.0129% (0.15   1.0  1.00   0.02   2.31) =   0.000%
          HG3   PRO   68 - HA    ASP- 105  17.04 +/- 2.60   0.005% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ASP- 105  13.68 +/- 1.41   0.012% *  0.0286% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ASP- 105  14.83 +/- 1.75   0.009% *  0.0376% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ASP- 105  21.59 +/- 3.38   0.003% *  0.0837% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ASP- 105  19.22 +/- 0.84   0.001% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ASP- 105  17.21 +/- 0.84   0.003% *  0.0259% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ASP- 105  21.45 +/- 1.65   0.001% *  0.0793% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ASP- 105  23.50 +/- 2.05   0.000% *  0.0752% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ASP- 105  19.01 +/- 0.91   0.001% *  0.0147% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1751 (2.23, 1.86, 47.73 ppm):
    9 chemical-shift based assignments, quality = 0.946, support = 3.38, residual support = 42.8:
    * O T HB2   ASP- 105 - HB3   ASP- 105   1.75 +/- 0.00  99.972% * 99.5527% (0.95  10.0 10.00   3.38  42.75) = 100.000%  kept
          HB2   MET   96 - HB3   ASP- 105   8.72 +/- 1.15   0.014% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP- 105   8.31 +/- 1.04   0.012% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   ASP- 105  11.36 +/- 1.55   0.002% *  0.0234% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   ASP- 105  14.69 +/- 0.93   0.000% *  0.1032% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP- 105  17.67 +/- 1.13   0.000% *  0.0638% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   ASP- 105  22.18 +/- 1.77   0.000% *  0.1050% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   ASP- 105  18.11 +/- 1.17   0.000% *  0.0184% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP- 105  23.21 +/- 1.25   0.000% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1752 (1.86, 1.86, 47.73 ppm):
    1 diagonal assignment:
    *     HB3   ASP- 105 - HB3   ASP- 105  (1.00)  kept
 
    Peak 1761 (1.56, 1.37, 25.37 ppm):
    20 chemical-shift based assignments, quality = 0.832, support = 4.86, residual support = 139.9:
    * O   HG2   LYS+ 106 - HG3   LYS+ 106   1.75 +/- 0.00  49.999% * 66.9933% (1.00  10.0  1.00   4.67 135.79) =  67.312%  kept
      O   HG2   LYS+  33 - HG3   LYS+  33   1.75 +/- 0.00  49.999% * 32.5339% (0.49  10.0  1.00   5.26 148.41) =  32.688%  kept
        T HB3   LYS+ 111 - HG3   LYS+ 106  12.67 +/- 2.59   0.001% *  0.1034% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+ 102  11.36 +/- 1.30   0.001% *  0.0122% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  65  12.35 +/- 2.61   0.001% *  0.0049% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 106  21.36 +/- 2.36   0.000% *  0.0664% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 106  20.63 +/- 1.50   0.000% *  0.0512% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 106  16.96 +/- 1.72   0.000% *  0.0117% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  33  21.13 +/- 1.85   0.000% *  0.0422% (0.63   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  33  21.00 +/- 0.89   0.000% *  0.0426% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 102  17.94 +/- 1.76   0.000% *  0.0093% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+  65  20.73 +/- 1.86   0.000% *  0.0215% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  65  21.22 +/- 0.62   0.000% *  0.0281% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  33  18.07 +/- 0.91   0.000% *  0.0075% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 102  23.01 +/- 2.98   0.000% *  0.0188% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  65  24.58 +/- 1.96   0.000% *  0.0279% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  65  19.66 +/- 1.68   0.000% *  0.0043% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 102  25.21 +/- 3.11   0.000% *  0.0121% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 102  23.47 +/- 1.76   0.000% *  0.0021% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  33  29.31 +/- 2.03   0.000% *  0.0066% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.31, residual support = 138.2:
    * O T HG12  ILE  103 - HG13  ILE  103   1.75 +/- 0.00  99.929% * 99.2815% (0.80  10.0 10.00   4.31 138.23) = 100.000%  kept
          HB    VAL   41 - HG13  ILE  103   7.38 +/- 1.43   0.031% *  0.1145% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE  103   6.58 +/- 0.40   0.039% *  0.0900% (0.73   1.0  1.00   0.02  22.44) =   0.000%
          HB2   LEU   71 - HG13  ILE  103  12.12 +/- 1.09   0.001% *  0.0702% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE  103  16.02 +/- 1.42   0.000% *  0.1237% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE  103  20.25 +/- 3.12   0.000% *  0.0652% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE  103  16.47 +/- 1.07   0.000% *  0.1145% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE  103  18.73 +/- 0.98   0.000% *  0.0752% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE  103  18.86 +/- 1.70   0.000% *  0.0652% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1773 (1.16, 1.16, 28.60 ppm):
    1 diagonal assignment:
    *     HG13  ILE  103 - HG13  ILE  103  (1.00)  kept
 
    Peak 1786 (1.81, 1.81, 34.65 ppm):
    2 diagonal assignments:
    *     QB    LYS+ 102 - QB    LYS+ 102  (1.00)  kept
          HB    VAL   41 - HB    VAL   41  (0.22)  kept
 
    Peak 1825 (0.59, 0.59, 24.39 ppm):
    1 diagonal assignment:
    *     QD2   LEU   80 - QD2   LEU   80  (1.00)  kept
 
    Peak 1828 (1.44, 1.44, 26.98 ppm):
    4 diagonal assignments:
    *     HG    LEU   80 - HG    LEU   80  (0.42)  kept
          HG    LEU   73 - HG    LEU   73  (0.24)  kept
          HG    LEU   40 - HG    LEU   40  (0.24)  kept
          HG12  ILE   19 - HG12  ILE   19  (0.12)  kept
 
    Peak 1835 (2.14, 2.14, 31.53 ppm):
    2 diagonal assignments:
    *     HB3   GLU-  79 - HB3   GLU-  79  (1.00)  kept
          HB2   GLN   90 - HB2   GLN   90  (0.23)  kept
 
    Peak 1858 (1.48, 1.41, 36.69 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.69, residual support = 187.5:
    * O   HB2   LYS+  74 - HB3   LYS+  74   1.75 +/- 0.00  99.981% * 99.4757% (0.80  10.0   5.69 187.48) = 100.000%  kept
          QG2   THR   26 - HB3   LYS+  74   7.59 +/- 0.50   0.017% *  0.0654% (0.53   1.0   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LYS+  74  13.42 +/- 2.35   0.001% *  0.0557% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB3   LYS+  74  16.31 +/- 1.18   0.000% *  0.1114% (0.90   1.0   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   LYS+  74  16.81 +/- 1.71   0.000% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HG    LEU   67 - HB3   LYS+  74  15.04 +/- 1.37   0.000% *  0.0310% (0.25   1.0   0.02   0.02) =   0.000%
          HG    LEU   40 - HB3   LYS+  74  15.31 +/- 1.02   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   LYS+  74  19.23 +/- 0.92   0.000% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB3   LYS+  74  16.42 +/- 1.73   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   LYS+  74  21.25 +/- 1.78   0.000% *  0.0466% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1859 (1.41, 1.41, 36.69 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  74 - HB3   LYS+  74  (1.00)  kept
 
    Peak 1861 (1.53, 1.53, 30.09 ppm):
    2 diagonal assignments:
    *     HD3   LYS+  74 - HD3   LYS+  74  (1.00)  kept
          HD2   LYS+ 121 - HD2   LYS+ 121  (0.03)  kept
 
    Peak 1884 (1.22, -0.08, 26.04 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.15, residual support = 218.2:
    * O T HG12  ILE   89 - HG13  ILE   89   1.75 +/- 0.00  99.997% * 99.3078% (1.00  10.0 10.00   5.15 218.16) = 100.000%  kept
          HG2   LYS+  74 - HG13  ILE   89  12.02 +/- 2.71   0.002% *  0.0445% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG13  ILE   89  17.19 +/- 3.48   0.000% *  0.0984% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG13  ILE   89  22.87 +/- 2.17   0.000% *  0.4083% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG13  ILE   89  20.05 +/- 4.13   0.000% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HG13  ILE   89  19.91 +/- 2.43   0.000% *  0.0483% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG13  ILE   89  18.98 +/- 2.20   0.000% *  0.0373% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG13  ILE   89  20.23 +/- 2.70   0.000% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1885 (-0.08, -0.08, 26.04 ppm):
    1 diagonal assignment:
    *     HG13  ILE   89 - HG13  ILE   89  (1.00)  kept
 
    Peak 1887 (0.09, 0.09, 50.60 ppm):
    1 diagonal assignment:
    *     QD1   ILE   89 - QD1   ILE   89  (1.00)  kept
 
    Peak 1902 (1.44, 1.44, 27.31 ppm):
    5 diagonal assignments:
    *     HG    LEU   73 - HG    LEU   73  (1.00)  kept
          HG    LEU   40 - HG    LEU   40  (0.13)  kept
          HG12  ILE   19 - HG12  ILE   19  (0.11)  kept
          HG    LEU   80 - HG    LEU   80  (0.05)  kept
          HG    LEU  115 - HG    LEU  115  (0.00)  kept
 
    Peak 1909 (1.24, 1.24, 27.63 ppm):
    2 diagonal assignments:
    *     HG    LEU   71 - HG    LEU   71  (1.00)  kept
          HG13  ILE   19 - HG13  ILE   19  (0.13)  kept
 
    Peak 1923 (1.64, 1.64, 57.72 ppm):
    1 diagonal assignment:
    *     QB    ALA   57 - QB    ALA   57  (1.00)  kept
 
    Peak 1924 (4.26, 1.64, 57.72 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 24.3:
    * O T HA    ALA   57 - QB    ALA   57   2.13 +/- 0.01  99.948% * 99.6237% (1.00  10.0 10.00   2.81  24.32) = 100.000%  kept
          HA1   GLY   51 - QB    ALA   57   8.80 +/- 0.69   0.023% *  0.0864% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   57   9.90 +/- 1.23   0.015% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA   57  18.02 +/- 2.75   0.006% *  0.0307% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   57  13.26 +/- 2.12   0.005% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - QB    ALA   57  14.01 +/- 1.08   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   57  16.26 +/- 2.14   0.001% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA   57  19.68 +/- 2.03   0.000% *  0.0761% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   57  19.15 +/- 2.06   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   57  24.92 +/- 2.03   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1926 (4.26, 4.26, 57.40 ppm):
    1 diagonal assignment:
    *     HA    ALA   57 - HA    ALA   57  (1.00)  kept
 
    Peak 1933 (0.79, 0.79, 56.43 ppm):
    1 diagonal assignment:
    *     QD1   ILE   56 - QD1   ILE   56  (0.89)  kept
 
    Peak 1940 (4.27, 4.27, 48.66 ppm):
    1 diagonal assignment:
    *     HA1   GLY   51 - HA1   GLY   51  (1.00)  kept
 
    Peak 1941 (4.27, 3.94, 48.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 10.0:
    * O T HA1   GLY   51 - HA2   GLY   51   1.75 +/- 0.00  99.996% * 97.5263% (1.00  10.0 10.00   2.81  10.01) = 100.000%  kept
          HA    ALA   57 - HA2   GLY   51  10.40 +/- 0.75   0.002% *  0.0846% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    SER   85 - HA2   GLY   51  20.41 +/- 2.76   0.000% *  0.4747% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HA2   GLY   51  13.93 +/- 1.75   0.001% *  0.0475% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HA2   GLY   51  25.53 +/- 3.16   0.000% *  0.5915% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA2   GLY   51  18.57 +/- 2.75   0.000% *  0.0923% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA2   GLY   51  15.50 +/- 1.15   0.000% *  0.0401% (0.41   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HA2   GLY   51  29.93 +/- 2.97   0.000% *  0.9560% (0.98   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER  117 - HA2   GLY   51  21.88 +/- 2.09   0.000% *  0.1505% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    MET   11 - HA2   GLY   51  36.22 +/- 5.92   0.000% *  0.0366% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 2.85, residual support = 66.7:
    * O   QG2   VAL   24 - QG1   VAL   24   2.07 +/- 0.03  99.998% * 99.5951% (1.00  10.0  1.00   2.85  66.65) = 100.000%  kept
        T QG1   VAL  107 - QG1   VAL   24  14.43 +/- 1.45   0.001% *  0.2483% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   24  16.85 +/- 1.83   0.000% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   24  21.62 +/- 2.54   0.000% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2010 (4.81, 4.81, 31.51 ppm):
    1 diagonal assignment:
    *     HB    THR   23 - HB    THR   23  (1.00)  kept
 
    Peak 2025 (0.69, 0.69, 58.05 ppm):
    1 diagonal assignment:
    *     QG2   ILE   19 - QG2   ILE   19  (1.00)  kept
 
    Peak 2031 (3.96, 3.96, 45.84 ppm):
    1 diagonal assignment:
    *     HA2   GLY   16 - HA2   GLY   16  (1.00)  kept
 
    Peak 2038 (1.46, 1.46, 26.98 ppm):
    3 diagonal assignments:
    *     HG    LEU   40 - HG    LEU   40  (1.00)  kept
          HG    LEU  115 - HG    LEU  115  (0.35)  kept
          HG    LEU   73 - HG    LEU   73  (0.13)  kept
 
    Peak 2039 (0.98, 0.98, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   40 - QD2   LEU   40  (1.00)  kept
 
    Peak 2040 (0.98, 0.98, 27.63 ppm):
    1 diagonal assignment:
    *     QD1   LEU   67 - QD1   LEU   67  (1.00)  kept
 
    Peak 2045 (1.35, 1.35, 27.95 ppm):
    1 diagonal assignment:
    *     HG    LEU   98 - HG    LEU   98  (1.00)  kept
 
    Peak 2047 (4.99, 4.99, 52.22 ppm):
    2 diagonal assignments:
    *     HA    LEU   67 - HA    LEU   67  (1.00)  kept
          HA    ASP-  76 - HA    ASP-  76  (0.04)  kept
 
    Peak 2050 (0.91, 0.91, 26.66 ppm):
    1 diagonal assignment:
    *     QD1   LEU   40 - QD1   LEU   40  (1.00)  kept
 
    Peak 2051 (1.98, 1.98, 42.52 ppm):
    1 diagonal assignment:
    *     HB2   LEU   67 - HB2   LEU   67  (0.53)  kept
 
    Peak 2052 (1.43, 1.43, 42.52 ppm):
    1 diagonal assignment:
    *     HB3   LEU   67 - HB3   LEU   67  (0.89)  kept
 
    Peak 2055 (1.46, 1.46, 26.01 ppm):
    2 diagonal assignments:
    *     HG    LEU   67 - HG    LEU   67  (1.00)  kept
          QG    LYS+  66 - QG    LYS+  66  (0.03)  kept
 
    Peak 2056 (0.92, 0.92, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   67 - QD2   LEU   67  (1.00)  kept
 
    Peak 2057 (3.84, 3.84, 51.93 ppm):
    1 diagonal assignment:
    *     HD3   PRO   52 - HD3   PRO   52  (1.00)  kept
 
    Peak 2062 (3.33, 3.33, 50.60 ppm):
    2 diagonal assignments:
    *     HD3   PRO   68 - HD3   PRO   68  (1.00)  kept
          HD3   PRO   93 - HD3   PRO   93  (0.18)  kept
 
    Peak 2063 (3.75, 3.75, 50.60 ppm):
    2 diagonal assignments:
    *     HD2   PRO   68 - HD2   PRO   68  (1.00)  kept
          HD3   PRO   58 - HD3   PRO   58  (0.02)  kept
 
    Peak 2067 (3.72, 3.72, 50.93 ppm):
    2 diagonal assignments:
    *     HD3   PRO   58 - HD3   PRO   58  (0.89)  kept
          HD2   PRO   68 - HD2   PRO   68  (0.01)  kept
 
    Peak 2077 (1.98, 1.98, 28.60 ppm):
    1 diagonal assignment:
    *     HG3   PRO   58 - HG3   PRO   58  (1.00)  kept
 
    Peak 2082 (1.36, 1.36, 34.10 ppm):
    1 diagonal assignment:
    *     HB3   PRO   93 - HB3   PRO   93  (1.00)  kept
 
    Peak 2086 (1.68, 1.68, 24.81 ppm):
    1 diagonal assignment:
    *     HG3   PRO   93 - HG3   PRO   93  (1.00)  kept
 
    Peak 2090 (1.98, 1.98, 27.31 ppm):
    1 diagonal assignment:
    *     HG2   PRO   68 - HG2   PRO   68  (0.47)  kept
 
    Peak 2091 (1.86, 1.86, 27.31 ppm):
    2 diagonal assignments:
    *     HG3   PRO   68 - HG3   PRO   68  (1.00)  kept
          HG2   ARG+  54 - HG2   ARG+  54  (0.26)  kept
 
    Peak 2094 (2.02, 2.02, 31.99 ppm):
    1 diagonal assignment:
    *     HB3   PRO   68 - HB3   PRO   68  (1.00)  kept
 
    Peak 2097 (2.12, 2.12, 38.95 ppm):
    1 diagonal assignment:
    *     HG3   GLU- 100 - HG3   GLU- 100  (1.00)  kept
 
    Peak 2111 (1.95, 1.95, 30.44 ppm):
    1 diagonal assignment:
    *     HB3   ARG+  54 - HB3   ARG+  54  (1.00)  kept
 
    Peak 2115 (3.25, 3.25, 43.59 ppm):
    1 diagonal assignment:
    *     HD3   ARG+  54 - HD3   ARG+  54  (1.00)  kept
 
    Peak 2117 (1.86, 1.86, 27.63 ppm):
    2 diagonal assignments:
    *     HG2   ARG+  54 - HG2   ARG+  54  (1.00)  kept
          HG3   PRO   68 - HG3   PRO   68  (0.26)  kept
 
    Peak 2119 (1.60, 1.60, 27.63 ppm):
    1 diagonal assignment:
    *     HG3   ARG+  54 - HG3   ARG+  54  (1.00)  kept
 
    Peak 2122 (2.15, 2.15, 30.04 ppm):
    2 diagonal assignments:
    *     QB    GLU-  36 - QB    GLU-  36  (1.00)  kept
          HB3   GLU-  29 - HB3   GLU-  29  (0.27)  kept
 
    Peak 2133 (2.73, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.17, residual support = 156.0:
    * O T HG2   GLN   30 - HG3   GLN   30   1.75 +/- 0.00  99.987% * 99.4743% (1.00  10.0 10.00   6.17 156.00) = 100.000%  kept
          HB3   ASN   28 - HG3   GLN   30   8.30 +/- 0.52   0.010% *  0.0918% (0.92   1.0  1.00   0.02   8.35) =   0.000%
          QE    LYS+ 121 - HB2   LYS+ 111  12.38 +/- 2.91   0.002% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   PRO   93  18.77 +/- 1.73   0.000% *  0.0775% (0.08   1.0 10.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HG3   GLN   30  22.28 +/- 3.04   0.000% *  0.0683% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HG3   GLN   30  20.45 +/- 2.90   0.000% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   LYS+ 111  27.00 +/- 2.31   0.000% *  0.1999% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   LYS+ 111  15.91 +/- 2.07   0.000% *  0.0068% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   PRO   93  16.41 +/- 2.02   0.000% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   PRO   93  16.59 +/- 2.38   0.000% *  0.0026% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   PRO   93  21.54 +/- 1.79   0.000% *  0.0072% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 111  29.45 +/- 2.58   0.000% *  0.0185% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 4.54, residual support = 148.4:
    * O   QE    LYS+  33 - HG2   LYS+  33   2.59 +/- 0.39  98.430% * 99.0807% (1.00  10.0   4.54 148.41) = 100.000%  kept
          HB2   ASP-  78 - QG    LYS+  81   6.42 +/- 1.08   0.896% *  0.0307% (0.31   1.0   0.02   0.42) =   0.000%
          HB2   ASN   35 - HG2   LYS+  33   7.69 +/- 0.64   0.211% *  0.0338% (0.34   1.0   0.02   1.29) =   0.000%
          HB2   ASN   28 - HG2   LYS+  33   9.92 +/- 1.04   0.068% *  0.0971% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - QG    LYS+  81   7.72 +/- 1.07   0.269% *  0.0106% (0.11   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QG    LYS+  81   9.07 +/- 0.67   0.083% *  0.0326% (0.33   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+  33  12.49 +/- 2.43   0.023% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - QG    LYS+  81  14.05 +/- 2.30   0.007% *  0.0465% (0.47   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+ 106  15.29 +/- 3.47   0.005% *  0.0413% (0.42   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+  33  19.64 +/- 1.95   0.001% *  0.0889% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  33  19.29 +/- 1.88   0.001% *  0.0681% (0.69   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - QG    LYS+  81  19.10 +/- 1.58   0.001% *  0.0474% (0.48   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+ 106  20.35 +/- 0.92   0.001% *  0.0539% (0.54   1.0   0.02   0.02) =   0.000%
          QE    LYS+  33 - HG2   LYS+ 106  20.48 +/- 1.14   0.001% *  0.0601% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+ 106  20.52 +/- 1.42   0.000% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+  33  19.63 +/- 1.64   0.001% *  0.0221% (0.22   1.0   0.02   0.02) =   0.000%
          QE    LYS+  65 - QG    LYS+  81  22.34 +/- 2.36   0.000% *  0.0425% (0.43   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+ 106  22.32 +/- 2.75   0.000% *  0.0389% (0.39   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  33  23.59 +/- 1.18   0.000% *  0.0641% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  18.93 +/- 1.19   0.001% *  0.0205% (0.21   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+ 106  20.15 +/- 2.19   0.001% *  0.0134% (0.14   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+ 106  20.12 +/- 1.65   0.001% *  0.0093% (0.09   1.0   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  22.53 +/- 2.09   0.000% *  0.0162% (0.16   1.0   0.02   0.02) =   0.000%
          HB2   ASN   69 - QG    LYS+  81  27.32 +/- 0.79   0.000% *  0.0073% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 148.4:
    * O T HG2   LYS+  33 - QB    LYS+  33   2.30 +/- 0.11  99.996% * 98.2551% (1.00  10.0 10.00   5.67 148.41) = 100.000%  kept
        T QG    LYS+  81 - QB    LYS+  33  18.99 +/- 1.56   0.000% *  0.8207% (0.84   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - QB    LYS+  33  19.26 +/- 0.96   0.000% *  0.7509% (0.76   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  33  14.89 +/- 1.28   0.002% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  33  16.39 +/- 0.82   0.001% *  0.0517% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  33  20.24 +/- 2.52   0.000% *  0.0369% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  33  26.63 +/- 1.81   0.000% *  0.0478% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2145 (3.02, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.994, support = 4.83, residual support = 218.1:
    *     QE    LYS+  38 - HA    LYS+  38   4.53 +/- 0.23  64.055% * 93.9870% (1.00  1.00   4.84 219.19) =  99.381%  kept
          QE    LYS+  99 - HA    GLU- 100   6.52 +/- 0.50   8.163% *  4.2629% (0.05  1.00   4.05  39.58) =   0.574%  kept
          QE    LYS+  99 - HA    LYS+  38   7.01 +/- 0.74   5.743% *  0.3482% (0.90  1.00   0.02   0.02) =   0.033%
          QE    LYS+  38 - HA    GLU- 100   5.77 +/- 0.64  17.692% *  0.0235% (0.06  1.00   0.02   0.02) =   0.007%
          QE    LYS+ 102 - HA    LYS+  38  11.73 +/- 1.62   0.357% *  0.3585% (0.92  1.00   0.02   0.02) =   0.002%
          QE    LYS+ 102 - HA    GLU- 100   8.39 +/- 1.10   3.572% *  0.0217% (0.06  1.00   0.02   0.02) =   0.001%
        T HB3   TRP   27 - HA    LYS+  38  15.14 +/- 1.03   0.056% *  0.8645% (0.22 10.00   0.02   0.02) =   0.001%
          HB2   PHE   97 - HA    LYS+  38  13.77 +/- 0.91   0.088% *  0.0768% (0.20  1.00   0.02   0.02) =   0.000%
        T HB3   TRP   27 - HA    GLU- 100  15.50 +/- 1.66   0.054% *  0.0522% (0.01 10.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    GLU- 100  11.74 +/- 0.52   0.221% *  0.0046% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2154 (3.02, 3.02, 42.83 ppm):
    3 diagonal assignments:
    *     QE    LYS+  38 - QE    LYS+  38  (1.00)  kept
          QE    LYS+  99 - QE    LYS+  99  (0.24)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.21)  kept
 
    Peak 2160 (1.33, 1.33, 26.01 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  99 - HG2   LYS+  99  (1.00)  kept
          HG2   LYS+  38 - HG2   LYS+  38  (0.27)  kept
 
    Peak 2162 (1.70, 1.70, 30.22 ppm):
    2 diagonal assignments:
    *     QD    LYS+  99 - QD    LYS+  99  (1.00)  kept
          QD    LYS+ 106 - QD    LYS+ 106  (0.80)  kept
 
    Peak 2172 (1.38, 1.38, 25.13 ppm):
    4 diagonal assignments:
    *     HG3   LYS+  65 - HG3   LYS+  65  (1.00)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.86)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.80)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.36)  kept
 
    Peak 2173 (2.93, 1.38, 25.13 ppm):
    24 chemical-shift based assignments, quality = 0.948, support = 4.46, residual support = 160.6:
    * O T QE    LYS+  65 - HG3   LYS+  65   2.29 +/- 0.39  72.137% * 54.8141% (1.00  10.0 10.00   4.28 164.17) =  77.067%  kept
      O T QE    LYS+  33 - HG3   LYS+  33   2.83 +/- 0.50  27.717% * 42.4513% (0.77  10.0 10.00   5.09 148.41) =  22.933%  kept
          HB2   ASN   35 - HG3   LYS+  33   7.17 +/- 0.42   0.109% *  0.0287% (0.52   1.0  1.00   0.02   1.29) =   0.000%
          HB2   ASN   28 - HG3   LYS+  33   9.96 +/- 1.82   0.022% *  0.0457% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  12.53 +/- 2.00   0.009% *  0.0271% (0.49   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  17.68 +/- 1.50   0.001% *  0.4001% (0.73   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  18.94 +/- 2.15   0.000% *  0.4916% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  19.96 +/- 1.76   0.000% *  0.4733% (0.86   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  19.69 +/- 1.01   0.000% *  0.2301% (0.42   1.0 10.00   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  20.01 +/- 1.15   0.000% *  0.2063% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  16.13 +/- 3.10   0.002% *  0.0212% (0.39   1.0  1.00   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  24.85 +/- 1.13   0.000% *  0.4461% (0.81   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  19.18 +/- 4.45   0.001% *  0.0412% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  19.18 +/- 2.31   0.000% *  0.0430% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  19.28 +/- 2.17   0.000% *  0.0437% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  18.47 +/- 1.17   0.000% *  0.0140% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.64 +/- 1.13   0.000% *  0.0222% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  25.24 +/- 1.76   0.000% *  0.0529% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  22.77 +/- 2.75   0.000% *  0.0206% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  26.04 +/- 1.60   0.000% *  0.0506% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  25.01 +/- 1.36   0.000% *  0.0332% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  23.96 +/- 1.39   0.000% *  0.0178% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  22.95 +/- 2.47   0.000% *  0.0086% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  29.09 +/- 2.68   0.000% *  0.0167% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2177 (2.16, 2.16, 36.74 ppm):
    1 diagonal assignment:
    *     HG3   GLU-  29 - HG3   GLU-  29  (1.00)  kept
 
    Peak 2178 (2.25, 2.16, 36.74 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.62, residual support = 94.7:
    * O T HB2   GLU-  29 - HG3   GLU-  29   2.29 +/- 0.06  99.993% * 99.1144% (1.00  10.0 10.00   4.62  94.66) = 100.000%  kept
          QG    GLU-  14 - HG3   GLU-  29  15.61 +/- 2.42   0.003% *  0.0306% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLN   90 - HG3   GLU-  29  20.82 +/- 1.63   0.000% *  0.4444% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   GLU-  29  16.36 +/- 1.22   0.001% *  0.0444% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   GLU-  29  16.35 +/- 1.32   0.001% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   GLU-  29  17.17 +/- 1.70   0.001% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG3   GLU-  29  16.79 +/- 1.81   0.001% *  0.0196% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  29  19.51 +/- 1.85   0.000% *  0.0372% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG3   GLU-  29  25.41 +/- 1.41   0.000% *  0.0681% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HG3   GLU-  29  27.41 +/- 1.39   0.000% *  0.0972% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   GLU-  29  27.52 +/- 1.88   0.000% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2179 (2.43, 2.16, 36.74 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.34, residual support = 94.7:
    * O T HG2   GLU-  29 - HG3   GLU-  29   1.75 +/- 0.00 100.000% * 99.6674% (1.00  10.0 10.00   4.34  94.66) = 100.000%  kept
          HB3   ASP-  86 - HG3   GLU-  29  15.65 +/- 1.56   0.000% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   GLU-  29  19.05 +/- 0.98   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  29  18.85 +/- 1.37   0.000% *  0.0222% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  29  26.78 +/- 1.49   0.000% *  0.0605% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HG3   GLU-  29  28.62 +/- 3.08   0.000% *  0.0645% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HG3   GLU-  29  24.95 +/- 1.36   0.000% *  0.0249% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2192 (2.21, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 84.5:
    * O T QG    GLN   17 - HB3   GLN   17   2.36 +/- 0.13  99.987% * 98.5118% (0.76  10.0 10.00   4.31  84.50) = 100.000%  kept
        T HB    VAL   70 - HB3   GLN   17  11.32 +/- 1.42   0.011% *  1.0767% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLN   17  18.04 +/- 0.80   0.001% *  0.1278% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLN   17  16.94 +/- 1.57   0.001% *  0.0730% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLN   17  19.52 +/- 0.73   0.000% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLN   17  22.60 +/- 1.80   0.000% *  0.0834% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLN   17  21.00 +/- 1.16   0.000% *  0.0440% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2193 (1.79, 1.79, 31.50 ppm):
    1 diagonal assignment:
    *     HB3   GLN   17 - HB3   GLN   17  (1.00)  kept
 
    Peak 2195 (4.42, 1.79, 31.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.5:
    * O T HA    GLN   17 - HB3   GLN   17   2.68 +/- 0.27  96.835% * 99.5390% (1.00  10.0 10.00   4.00  84.50) =  99.998%  kept
          HA    GLU-  15 - HB3   GLN   17   5.41 +/- 0.57   2.911% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   13 - HB3   GLN   17  10.08 +/- 1.51   0.235% *  0.0564% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   GLN   17  13.35 +/- 2.01   0.009% *  0.0524% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   17  14.75 +/- 0.81   0.005% *  0.0604% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   GLN   17  17.47 +/- 1.90   0.002% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   GLN   17  19.64 +/- 1.75   0.001% *  0.0995% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   GLN   17  16.93 +/- 1.23   0.002% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2196 (2.01, 1.79, 31.50 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 84.5:
    * O T HB2   GLN   17 - HB3   GLN   17   1.75 +/- 0.00  99.882% * 97.4347% (1.00  10.0 10.00   4.00  84.50) =  99.999%  kept
        T QB    GLU-  15 - HB3   GLN   17   6.34 +/- 0.73   0.086% *  0.9743% (1.00   1.0 10.00   0.02   0.02) =   0.001%
        T HB3   PRO   68 - HB3   GLN   17  11.23 +/- 3.41   0.007% *  0.7802% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   GLN   17   7.72 +/- 1.01   0.023% *  0.0552% (0.57   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HB3   GLN   17  14.17 +/- 1.44   0.000% *  0.4006% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   GLN   17  12.36 +/- 2.12   0.001% *  0.0474% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   GLN   17  14.50 +/- 1.12   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   GLN   17  20.29 +/- 0.81   0.000% *  0.0922% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   GLN   17  21.42 +/- 1.48   0.000% *  0.0630% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   17  24.63 +/- 2.42   0.000% *  0.0966% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   17  18.70 +/- 1.41   0.000% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   17  23.74 +/- 1.72   0.000% *  0.0217% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2202 (1.92, 1.92, 30.50 ppm):
    2 diagonal assignments:
    *     HB3   GLU-  14 - HB3   GLU-  14  (1.00)  kept
          HG3   MET   11 - HG3   MET   11  (0.34)  kept
 
    Peak 2204 (1.92, 4.31, 56.62 ppm):
    12 chemical-shift based assignments, quality = 0.925, support = 3.08, residual support = 47.7:
    * O T HB3   GLU-  14 - HA    GLU-  14   2.77 +/- 0.25  73.092% * 72.0932% (1.00  10.0 10.00   2.96  48.27) =  88.014%  kept
      O T HG3   MET   11 - HA    MET   11   3.45 +/- 0.60  26.812% * 26.7625% (0.37  10.0 10.00   4.00  43.34) =  11.985%  kept
        T HG3   MET   11 - HA    GLU-  14  10.93 +/- 1.10   0.034% *  0.6820% (0.95   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HA    MET   11  10.27 +/- 1.58   0.057% *  0.2829% (0.39   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  16.18 +/- 1.89   0.002% *  0.0351% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  21.94 +/- 1.47   0.000% *  0.0625% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  21.16 +/- 1.69   0.000% *  0.0200% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  21.93 +/- 3.02   0.000% *  0.0138% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  28.49 +/- 3.57   0.000% *  0.0245% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  28.96 +/- 1.47   0.000% *  0.0111% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  30.40 +/- 1.77   0.000% *  0.0079% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  36.55 +/- 3.48   0.000% *  0.0044% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2207 (2.01, 2.01, 31.54 ppm):
    2 diagonal assignments:
    *     QB    GLU-  15 - QB    GLU-  15  (0.99)  kept
          HB2   GLN   17 - HB2   GLN   17  (0.98)  kept
 
    Peak 2213 (4.91, 4.91, 52.55 ppm):
    1 diagonal assignment:
    *     HA    MET   92 - HA    MET   92  (1.00)  kept
 
    Peak 2215 (1.89, 1.89, 34.43 ppm):
    1 diagonal assignment:
    *     HB2   MET   92 - HB2   MET   92  (1.00)  kept
 
    Peak 2216 (1.69, 1.69, 34.43 ppm):
    1 diagonal assignment:
    *     HB3   MET   92 - HB3   MET   92  (1.00)  kept
 
    Peak 2219 (1.89, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 64.2:
    * O T HB2   MET   92 - HA    MET   92   2.94 +/- 0.15  99.447% * 99.5277% (1.00  10.0 10.00   3.87  64.16) = 100.000%  kept
          HB    ILE   56 - HA    MET   92   9.69 +/- 3.37   0.218% *  0.0684% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    MET   92   8.09 +/- 0.55   0.279% *  0.0197% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    MET   92  11.48 +/- 0.66   0.030% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   92  16.07 +/- 1.86   0.006% *  0.0941% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    MET   92  14.12 +/- 2.13   0.018% *  0.0248% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   92  21.50 +/- 1.09   0.001% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    MET   92  29.43 +/- 0.63   0.000% *  0.0831% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    MET   92  24.13 +/- 0.85   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   92  27.27 +/- 1.86   0.000% *  0.0154% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   92  36.02 +/- 3.44   0.000% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2220 (1.69, 4.91, 52.55 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.22, residual support = 63.5:
    * O T HB3   MET   92 - HA    MET   92   2.78 +/- 0.16  94.353% * 83.8275% (1.00  10.0 10.00   4.22  64.16) =  99.017%  kept
          HG3   PRO   93 - HA    MET   92   4.56 +/- 0.22   5.049% * 15.5545% (0.76   1.0  1.00   4.86   1.69) =   0.983%  kept
          HD2   LYS+ 111 - HA    MET   92  12.16 +/- 2.39   0.098% *  0.0822% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    MET   92   8.94 +/- 2.68   0.485% *  0.0166% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    MET   92  12.92 +/- 1.17   0.012% *  0.0700% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    MET   92  16.71 +/- 1.00   0.002% *  0.0809% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    MET   92  21.99 +/- 2.25   0.001% *  0.0475% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    MET   92  22.74 +/- 0.61   0.000% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    MET   92  27.25 +/- 1.00   0.000% *  0.1866% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    MET   92  23.62 +/- 1.54   0.000% *  0.0671% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2221 (2.31, 2.31, 33.13 ppm):
    1 diagonal assignment:
    *     HG2   MET   92 - HG2   MET   92  (1.00)  kept
 
    Peak 2222 (2.24, 2.24, 33.13 ppm):
    1 diagonal assignment:
    *     HG3   MET   92 - HG3   MET   92  (1.00)  kept
 
    Peak 2223 (2.31, 4.91, 52.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.49, residual support = 64.2:
    * O T HG2   MET   92 - HA    MET   92   2.52 +/- 0.47  87.279% * 99.5593% (1.00  10.0 10.00   2.49  64.16) =  99.991%  kept
          HG2   PRO   52 - HA    MET   92   5.98 +/- 4.25  12.647% *  0.0644% (0.65   1.0  1.00   0.02   0.02) =   0.009%
          QG    GLU- 114 - HA    MET   92  11.24 +/- 1.98   0.065% *  0.0987% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    MET   92  14.26 +/- 2.56   0.010% *  0.0961% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    MET   92  23.72 +/- 1.57   0.000% *  0.0446% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    MET   92  31.90 +/- 0.95   0.000% *  0.0996% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    MET   92  32.06 +/- 2.83   0.000% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2224 (2.24, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 64.2:
    * O T HG3   MET   92 - HA    MET   92   3.21 +/- 0.60  99.228% * 99.3565% (1.00  10.0 10.00   3.97  64.16) = 100.000%  kept
          QG    GLN   90 - HA    MET   92   8.19 +/- 0.40   0.611% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   92  11.65 +/- 1.01   0.063% *  0.1966% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    MET   92  12.55 +/- 2.17   0.066% *  0.0563% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   92  15.67 +/- 1.40   0.015% *  0.0682% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    MET   92  16.93 +/- 0.72   0.007% *  0.0796% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   92  17.37 +/- 1.13   0.007% *  0.0276% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   92  24.79 +/- 0.99   0.001% *  0.0974% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    MET   92  24.26 +/- 1.51   0.001% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   92  28.24 +/- 0.98   0.000% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    MET   92  23.80 +/- 1.39   0.001% *  0.0134% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2226 (4.14, 4.14, 45.70 ppm):
    1 diagonal assignment:
    *     HA1   GLY  101 - HA1   GLY  101  (1.00)  kept
 
    Peak 2228 (2.04, 1.87, 37.27 ppm):
    11 chemical-shift based assignments, quality = 0.923, support = 1.27, residual support = 5.36:
          HB    VAL  108 - QB    LYS+ 106   4.23 +/- 0.12  97.846% * 79.2593% (0.92  1.00   1.27   5.36) =  99.974%  kept
        T HB2   GLN   30 - QB    LYS+ 106  15.36 +/- 0.93   0.046% * 13.5103% (1.00 10.00   0.02   0.02) =   0.008%
          HB2   PRO   93 - QB    LYS+ 106  10.11 +/- 0.97   0.671% *  0.7649% (0.57  1.00   0.02   0.02) =   0.007%
          HB    ILE  119 - QB    LYS+ 106  11.14 +/- 0.79   0.320% *  1.3510% (1.00  1.00   0.02   0.02) =   0.006%
          HB2   LYS+ 111 - QB    LYS+ 106  10.40 +/- 1.87   0.937% *  0.3008% (0.22  1.00   0.02   0.02) =   0.004%
          HB3   GLU- 100 - QB    LYS+ 106  14.93 +/- 0.55   0.052% *  1.3391% (0.99  1.00   0.02   0.02) =   0.001%
          HB2   ARG+  54 - QB    LYS+ 106  16.82 +/- 1.92   0.049% *  1.1719% (0.87  1.00   0.02   0.02) =   0.001%
          HG3   GLN   30 - QB    LYS+ 106  17.28 +/- 1.33   0.025% *  1.1719% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QB    LYS+ 106  17.70 +/- 1.78   0.023% *  0.6576% (0.49  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QB    LYS+ 106  18.17 +/- 1.09   0.017% *  0.2366% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - QB    LYS+ 106  18.69 +/- 0.88   0.014% *  0.2366% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 8 structures by 0.88 A, kept.
 
    Peak 2229 (9.12, 3.71, 61.73 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 4.64, residual support = 27.3:
      O   HN    ASP-  76 - HA    VAL   75   2.20 +/- 0.03  99.919% * 99.8873% (0.76  10.0   4.64  27.29) = 100.000%  kept
          HN    HIS   22 - HA    VAL   75   7.89 +/- 1.07   0.081% *  0.0636% (0.49   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - HA    VAL   75  17.42 +/- 1.39   0.001% *  0.0491% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2230 (8.53, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.27, residual support = 84.5:
      O   HN    VAL   75 - HA    VAL   75   2.93 +/- 0.01  99.497% * 99.8946% (0.90  10.0   5.27  84.48) =  99.999%  kept
          HN    ASP-  78 - HA    VAL   75   7.10 +/- 0.25   0.503% *  0.1054% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2231 (4.88, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 0.75, residual support = 18.4:
          HA    PHE   45 - HB    VAL   75   4.12 +/- 1.51  98.979% * 89.9031% (0.45   0.75  18.42) =  99.941%  kept
          HA    VAL   41 - HB    VAL   75  11.67 +/- 0.86   1.002% *  5.1606% (0.97   0.02   0.02) =   0.058%
          HA    HIS  122 - HB    VAL   75  20.14 +/- 2.32   0.018% *  4.9363% (0.92   0.02   0.02) =   0.001%
    Distance limit 3.62 A violated in 7 structures by 0.87 A, kept.
 
    Peak 2232 (6.85, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.13, residual support = 18.4:
          QD    PHE   45 - HB    VAL   75   3.87 +/- 1.08  99.968% * 98.5739% (0.87   2.13  18.42) = 100.000%  kept
          HD2   HIS  122 - HB    VAL   75  17.37 +/- 1.97   0.026% *  0.7344% (0.69   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB    VAL   75  22.63 +/- 2.15   0.006% *  0.6916% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 6 structures by 0.55 A, kept.
 
    Peak 2233 (6.72, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.522, support = 0.02, residual support = 1.93:
        T HZ    PHE   72 - HB    VAL   75  14.66 +/- 1.27   2.788% * 97.5882% (0.80 10.00   0.02   0.02) =  53.709%  kept
          HZ2   TRP   27 - HB    VAL   75   6.37 +/- 2.57  97.212% *  2.4118% (0.20  1.00   0.02   4.15) =  46.291%  kept
    Distance limit 4.04 A violated in 15 structures by 2.65 A, eliminated.
    Peak unassigned.
 
    Peak 2234 (8.54, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.51, residual support = 84.5:
      O   HN    VAL   75 - HB    VAL   75   2.86 +/- 0.50  99.695% * 99.9348% (0.99  10.0   4.51  84.48) = 100.000%  kept
          HN    ASP-  78 - HB    VAL   75   8.19 +/- 0.20   0.305% *  0.0652% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2235 (6.71, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.44, residual support = 18.4:
        T QE    PHE   45 - QG1   VAL   75   3.09 +/- 0.60  99.847% * 99.5846% (0.34 10.00   2.44  18.42) = 100.000%  kept
          QD    PHE   72 - QG1   VAL   75   9.91 +/- 0.61   0.134% *  0.1536% (0.53  1.00   0.02   0.02) =   0.000%
          HZ    PHE   72 - QG1   VAL   75  13.71 +/- 0.96   0.019% *  0.2618% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2236 (6.86, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.1, residual support = 18.4:
          QD    PHE   45 - QG1   VAL   75   2.66 +/- 0.59  99.995% * 99.5811% (1.00   3.10  18.42) = 100.000%  kept
          HD2   HIS  122 - QG1   VAL   75  15.42 +/- 1.52   0.004% *  0.2199% (0.34   0.02   0.02) =   0.000%
          HE22  GLN  116 - QG1   VAL   75  19.50 +/- 1.82   0.001% *  0.1990% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2237 (8.53, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.898, support = 5.18, residual support = 82.3:
          HN    VAL   75 - QG1   VAL   75   3.34 +/- 0.33  93.891% * 70.9856% (0.90   5.27  84.48) =  97.409%  kept
          HN    ASP-  78 - QG1   VAL   75   5.39 +/- 0.19   6.109% * 29.0144% (0.95   2.04   0.02) =   2.591%  kept
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2238 (9.12, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 4.97, residual support = 27.3:
          HN    ASP-  76 - QG1   VAL   75   3.07 +/- 0.28  99.741% * 99.1034% (0.41   4.97  27.29) =  99.999%  kept
          HN    HIS   22 - QG1   VAL   75   9.01 +/- 0.90   0.235% *  0.1920% (0.20   0.02   0.02) =   0.000%
          HN    VAL  108 - QG1   VAL   75  12.79 +/- 1.48   0.025% *  0.7046% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2239 (3.09, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 0.749, residual support = 2.4:
          HB2   CYS   21 - QG2   VAL   75   5.56 +/- 2.04  86.708% * 98.7151% (0.76   0.75   2.41) =  99.905%  kept
          QE    LYS+  81 - QG2   VAL   75   9.38 +/- 1.34  11.669% *  0.6032% (0.18   0.02   0.02) =   0.082%
          QE    LYS+ 111 - QG2   VAL   75  15.89 +/- 2.08   1.622% *  0.6817% (0.20   0.02   0.02) =   0.013%
    Distance limit 3.61 A violated in 12 structures by 2.00 A, kept.
 
    Peak 2240 (6.37, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.58, support = 0.888, residual support = 10.1:
          HZ3   TRP   27 - QG2   VAL   75   4.21 +/- 2.18  64.406% * 43.5670% (0.45   0.99   4.15) =  58.280%  kept
          HZ    PHE   45 - QG2   VAL   75   4.63 +/- 0.82  35.594% * 56.4330% (0.76   0.75  18.42) =  41.720%  kept
    Distance limit 3.31 A violated in 2 structures by 0.44 A, kept.
 
    Peak 2241 (6.69, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 2.04, residual support = 18.4:
          QE    PHE   45 - QG2   VAL   75   3.57 +/- 0.47  99.135% * 98.7502% (0.97   2.04  18.42) =  99.992%  kept
          QD    PHE   72 - QG2   VAL   75   8.58 +/- 0.83   0.782% *  0.9999% (1.00   0.02   0.02) =   0.008%
          HZ    PHE   72 - QG2   VAL   75  12.31 +/- 1.07   0.083% *  0.2499% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2242 (7.33, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.8, support = 1.37, residual support = 4.12:
          HE3   TRP   27 - QG2   VAL   75   4.27 +/- 1.97  70.159% * 93.2952% (0.80   1.38   4.15) =  99.272%  kept
          HN    THR   23 - QG2   VAL   75   5.48 +/- 1.87  20.643% *  1.6315% (0.97   0.02   0.02) =   0.511%  kept
          QE    PHE   95 - QG2   VAL   75   8.05 +/- 2.10   8.334% *  1.6570% (0.98   0.02   0.02) =   0.209%
          QD    PHE   55 - QG2   VAL   75  14.52 +/- 2.31   0.131% *  1.4664% (0.87   0.02   0.02) =   0.003%
          HD1   TRP   49 - QG2   VAL   75  12.24 +/- 1.77   0.311% *  0.5218% (0.31   0.02   0.02) =   0.002%
          HD2   HIS   22 - QG2   VAL   75   9.36 +/- 1.45   0.377% *  0.3346% (0.20   0.02   0.02) =   0.002%
          HN    LEU   67 - QG2   VAL   75  14.34 +/- 0.98   0.047% *  1.0936% (0.65   0.02   0.02) =   0.001%
    Distance limit 3.50 A violated in 5 structures by 0.61 A, kept.
 
    Peak 2243 (8.53, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.12, residual support = 84.5:
          HN    VAL   75 - QG2   VAL   75   2.90 +/- 0.74  99.061% * 99.5900% (0.90   5.12  84.48) =  99.996%  kept
          HN    ASP-  78 - QG2   VAL   75   7.29 +/- 0.55   0.939% *  0.4100% (0.95   0.02   0.02) =   0.004%
    Distance limit 3.52 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2244 (9.15, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.608, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG2   VAL   75   6.80 +/- 1.28  97.230% * 48.3894% (0.61   0.02   0.02) =  97.051%  kept
          HN    VAL  108 - QG2   VAL   75  13.20 +/- 1.76   2.770% * 51.6106% (0.65   0.02   0.02) =   2.949%  kept
    Distance limit 3.94 A violated in 19 structures by 2.83 A, eliminated.
    Peak unassigned.
 
    Peak 2245 (9.13, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.152, support = 3.75, residual support = 36.3:
      O   HN    ASP-  76 - HB3   ASP-  76   2.90 +/- 0.47  99.998% * 99.4520% (0.15  10.0   3.75  36.32) = 100.000%  kept
          HN    VAL  108 - HB3   ASP-  76  19.73 +/- 1.92   0.002% *  0.5480% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2246 (9.12, 2.90, 42.19 ppm):
    9 chemical-shift based assignments, quality = 0.411, support = 3.72, residual support = 36.3:
      O   HN    ASP-  76 - HB2   ASP-  76   2.74 +/- 0.61  99.634% * 99.6604% (0.41  10.0   3.72  36.32) = 100.000%  kept
          HN    HIS   22 - HB2   ASP-  76   9.62 +/- 2.00   0.216% *  0.0480% (0.20   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  33  10.69 +/- 2.01   0.135% *  0.0072% (0.03   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - HB2   ASP-  76  19.68 +/- 1.85   0.002% *  0.1760% (0.73   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  66  16.27 +/- 1.56   0.004% *  0.0366% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  33  16.24 +/- 1.27   0.006% *  0.0149% (0.06   1.0   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  66  21.59 +/- 0.82   0.001% *  0.0207% (0.09   1.0   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  33  23.79 +/- 1.26   0.001% *  0.0263% (0.11   1.0   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  66  22.22 +/- 0.77   0.001% *  0.0100% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2247 (8.10, 3.58, 65.17 ppm):
    4 chemical-shift based assignments, quality = 0.374, support = 0.595, residual support = 0.593:
          HN    LEU   80 - HA    THR   77   4.70 +/- 1.36  95.395% * 87.9681% (0.38   0.60   0.60) =  99.739%  kept
          HN    CYS   53 - HA    THR   77  13.31 +/- 2.25   4.209% *  4.7652% (0.61   0.02   0.02) =   0.238%
          HN    THR   26 - HA    THR   77  12.93 +/- 1.48   0.367% *  5.0824% (0.65   0.02   0.02) =   0.022%
          HN    ALA   34 - HA    THR   77  20.60 +/- 1.21   0.029% *  2.1844% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 9 structures by 1.21 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 2248 (8.54, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 4.6, residual support = 28.0:
      O   HN    ASP-  78 - HA    THR   77   3.52 +/- 0.04  98.723% * 99.8470% (0.65  10.0   4.60  27.98) =  99.998%  kept
          HN    VAL   75 - HA    THR   77   7.33 +/- 0.33   1.277% *  0.1530% (0.99   1.0   0.02   0.34) =   0.002%
    Distance limit 3.81 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   2.77 +/- 0.04 100.000% *100.0000% (0.53  10.0   4.01  37.73) = 100.000%  kept
    Distance limit 3.48 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 = 2.65, residual support = 9.0:
        T QD    PHE   45 - QG2   THR   77   3.81 +/- 1.22 100.000% *100.0000% (0.80 10.00   2.65   9.00) = 100.000%  kept
    Distance limit 3.16 A violated in 7 structures by 0.81 A, kept.
 
    Peak 2251 (8.47, 1.30, 23.34 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.59, residual support = 11.9:
          HN    THR   46 - QG2   THR   77   3.78 +/- 1.53  82.207% * 98.1617% (0.87   3.59  11.93) =  99.902%  kept
          HN    MET   92 - QG2   THR   77   6.24 +/- 1.82  13.280% *  0.4325% (0.69   0.02   0.02) =   0.071%
          HN    LYS+  74 - QG2   THR   77   9.24 +/- 0.60   2.360% *  0.6172% (0.98   0.02   0.02) =   0.018%
          HN    LYS+ 112 - QG2   THR   77  14.78 +/- 2.53   2.151% *  0.3313% (0.53   0.02   0.02) =   0.009%
          HN    MET   11 - QG2   THR   77  26.52 +/- 3.59   0.002% *  0.4572% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 3 structures by 0.62 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   2.11 +/- 0.27 100.000% *100.0000% (0.87   4.01  37.73) = 100.000%  kept
    Distance limit 3.06 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 = 8.16:
          HA    ALA   20 - HB2   LYS+  74   3.71 +/- 0.40  99.749% * 98.6222% (0.61   1.50   8.16) =  99.996%  kept
          HA    LEU   71 - HB2   LYS+  74  10.40 +/- 0.74   0.251% *  1.3778% (0.64   0.02   0.02) =   0.004%
    Distance limit 3.71 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2254 (4.64, 1.41, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 2.94, residual support = 8.16:
          HA    ALA   20 - HB3   LYS+  74   3.43 +/- 0.42  99.878% * 99.2920% (0.76   2.94   8.16) =  99.999%  kept
          HA    LEU   71 - HB3   LYS+  74  10.97 +/- 0.73   0.122% *  0.7080% (0.80   0.02   0.02) =   0.001%
    Distance limit 3.63 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2255 (4.94, 1.41, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 6.2, residual support = 187.5:
      O   HA    LYS+  74 - HB3   LYS+  74   2.94 +/- 0.10  99.977% * 99.8966% (0.80  10.0   6.20 187.48) = 100.000%  kept
          HA    THR   94 - HB3   LYS+  74  13.09 +/- 1.06   0.015% *  0.0757% (0.61   1.0   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   LYS+  74  14.55 +/- 1.22   0.008% *  0.0278% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2256 (5.05, 2.06, 34.10 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 5.98, residual support = 132.4:
      O T HA    PRO   93 - HB2   PRO   93   2.39 +/- 0.17 100.000% * 99.9221% (0.49  10.0 10.00   5.98 132.37) = 100.000%  kept
        T HA    PRO   93 - HG3   GLN   30  19.45 +/- 1.43   0.000% *  0.0779% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 0.443, support = 1.67, residual support = 1.54:
          HB3   MET   92 - HB3   PRO   93   5.18 +/- 0.23  22.635% * 75.1142% (0.41  1.00   1.82   1.69) =  91.492%  kept
          QG1   ILE   56 - HB3   PRO   93   4.81 +/- 2.67  72.483% *  1.8019% (0.90  1.00   0.02   0.02) =   7.028%  kept
        T HD2   LYS+ 111 - HB3   PRO   93  11.16 +/- 2.50   4.154% *  6.2014% (0.31 10.00   0.02   0.02) =   1.386%  kept
        T HB2   LEU   73 - HB3   PRO   93  13.58 +/- 1.57   0.098% * 11.3752% (0.57 10.00   0.02   0.02) =   0.060%
          HB    ILE   89 - HB3   PRO   93  10.90 +/- 1.23   0.440% *  0.7541% (0.38  1.00   0.02   0.02) =   0.018%
          QD    LYS+ 106 - HB3   PRO   93  11.32 +/- 1.01   0.173% *  1.5355% (0.76  1.00   0.02   0.02) =   0.014%
          QD    LYS+  99 - HB3   PRO   93  19.15 +/- 0.86   0.008% *  1.6089% (0.80  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HB3   PRO   93  19.89 +/- 0.83   0.007% *  1.6089% (0.80  1.00   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 2 structures by 0.49 A, kept.
 
    Peak 2258 (2.07, 1.36, 34.10 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.01, residual support = 132.4:
      O   HB2   PRO   93 - HB3   PRO   93   1.75 +/- 0.00  99.958% * 99.4465% (0.80  10.0   6.01 132.37) = 100.000%  kept
          HG3   PRO   52 - HB3   PRO   93   9.06 +/- 3.18   0.023% *  0.0853% (0.69   1.0   0.02   0.34) =   0.000%
          HB    VAL  108 - HB3   PRO   93   9.00 +/- 1.44   0.008% *  0.0511% (0.41   1.0   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   PRO   93   9.89 +/- 1.77   0.005% *  0.0853% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB3   PRO   93  10.06 +/- 2.38   0.005% *  0.0605% (0.49   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   PRO   93  13.20 +/- 1.54   0.001% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   93  22.95 +/- 2.30   0.000% *  0.0949% (0.76   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   PRO   93  18.68 +/- 1.64   0.000% *  0.0276% (0.22   1.0   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   93  31.92 +/- 3.13   0.000% *  0.0994% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   PRO   93  24.71 +/- 0.84   0.000% *  0.0218% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2259 (5.06, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 5.12, residual support = 132.4:
      O   HA    PRO   93 - HB3   PRO   93   2.65 +/- 0.17 100.000% *100.0000% (0.92  10.0   5.12 132.37) = 100.000%  kept
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2260 (6.87, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HB3   PRO   93   6.40 +/- 1.25 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 4.03 A violated in 17 structures by 2.40 A, eliminated.
    Peak unassigned.
 
    Peak 2263 (0.74, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.944, support = 2.09, residual support = 14.0:
          QD1   ILE   19 - HG2   GLN   30   5.23 +/- 1.72  75.907% * 80.4420% (0.95   2.11  14.09) =  99.313%  kept
          QG2   VAL   18 - HG2   GLN   30  10.12 +/- 0.76   1.853% * 17.1552% (0.90   0.47   0.02) =   0.517%  kept
          QG1   VAL   41 - HG2   GLN   30   8.31 +/- 1.26  12.720% *  0.3933% (0.49   0.02   0.02) =   0.081%
          QG1   VAL   43 - HG2   GLN   30   8.35 +/- 1.12   8.770% *  0.5550% (0.69   0.02   0.02) =   0.079%
          QG2   THR   46 - HG2   GLN   30  12.90 +/- 1.56   0.505% *  0.7797% (0.97   0.02   0.02) =   0.006%
          QD2   LEU  104 - HG2   GLN   30  15.19 +/- 1.98   0.247% *  0.6749% (0.84   0.02   0.02) =   0.003%
    Distance limit 3.75 A violated in 8 structures by 1.41 A, kept.
 
    Peak 2264 (1.52, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 0.75, residual support = 4.97:
        T QG2   THR   26 - HG2   GLN   30   2.51 +/- 0.61  99.919% * 87.3618% (0.61 10.00   0.75   4.97) =  99.999%  kept
        T HD3   LYS+  74 - HG2   GLN   30  12.95 +/- 0.83   0.013% *  2.1746% (0.57 10.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   GLN   30   9.92 +/- 0.72   0.059% *  0.1310% (0.34  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HG2   GLN   30  19.13 +/- 1.16   0.002% *  3.8324% (1.00 10.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HG2   GLN   30  22.03 +/- 2.74   0.001% *  2.7891% (0.73 10.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG2   GLN   30  23.49 +/- 2.66   0.001% *  2.9354% (0.76 10.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HG2   GLN   30  17.19 +/- 1.73   0.003% *  0.2789% (0.73  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   GLN   30  18.09 +/- 2.53   0.002% *  0.2638% (0.69  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG2   GLN   30  26.38 +/- 2.28   0.000% *  0.2330% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 6.99, residual support = 231.7:
      O T HG2   LYS+ 112 - HB3   LYS+ 112   2.67 +/- 0.23  99.986% * 99.8036% (0.95  10.0 10.00   6.99 231.66) = 100.000%  kept
          QG1   VAL   42 - HB3   LYS+ 112  14.63 +/- 1.43   0.007% *  0.1018% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   47 - HB3   LYS+ 112  14.47 +/- 1.49   0.007% *  0.0946% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2266 (3.47, 1.19, 32.81 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 6.24, residual support = 231.7:
      O T HA    LYS+ 112 - HB3   LYS+ 112   2.73 +/- 0.23  99.994% * 99.8561% (0.73  10.0 10.00   6.24 231.66) = 100.000%  kept
          HB2   HIS  122 - HB3   LYS+ 112  16.55 +/- 0.80   0.002% *  0.0617% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   LYS+ 112  16.20 +/- 1.96   0.004% *  0.0306% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB3   LYS+ 112  30.10 +/- 3.05   0.000% *  0.0516% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2267 (8.49, 1.19, 32.81 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.68, residual support = 231.7:
      O   HN    LYS+ 112 - HB3   LYS+ 112   2.89 +/- 0.67  99.988% * 99.7523% (0.97  10.0   5.68 231.66) = 100.000%  kept
          HN    MET   92 - HB3   LYS+ 112  15.26 +/- 2.11   0.008% *  0.0230% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   46 - HB3   LYS+ 112  17.81 +/- 1.46   0.003% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   LYS+ 112  21.76 +/- 2.72   0.001% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+ 112  38.31 +/- 3.57   0.000% *  0.1031% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2268 (8.50, 1.37, 32.81 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 5.72, residual support = 231.7:
      O   HN    LYS+ 112 - HB2   LYS+ 112   2.66 +/- 0.58  99.819% * 99.6310% (0.84  10.0   5.72 231.66) = 100.000%  kept
          HN    LYS+  74 - HB    VAL   42   8.30 +/- 0.78   0.174% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB    VAL   42  19.26 +/- 1.33   0.002% *  0.0840% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB    VAL   42  17.68 +/- 0.72   0.002% *  0.0343% (0.29   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   LYS+ 112  21.75 +/- 2.64   0.002% *  0.0368% (0.31   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    VAL   42  23.01 +/- 3.13   0.001% *  0.0651% (0.55   1.0   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB2   LYS+ 112  22.23 +/- 2.96   0.001% *  0.0407% (0.34   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+ 112  38.43 +/- 3.55   0.000% *  0.0772% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2269 (5.28, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.25, residual support = 5.78:
          HA    PHE   72 - HB    VAL   42   2.71 +/- 0.73  99.615% * 99.0365% (0.85   2.25   5.78) =  99.999%  kept
          HA    MET   96 - HB    VAL   42   8.17 +/- 0.51   0.379% *  0.2002% (0.19   0.02   0.02) =   0.001%
          HA    PHE   72 - HB2   LYS+ 112  19.91 +/- 1.89   0.002% *  0.6220% (0.60   0.02   0.02) =   0.000%
          HA    MET   96 - HB2   LYS+ 112  16.54 +/- 1.12   0.005% *  0.1413% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2270 (8.95, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.69, residual support = 86.7:
      O   HN    VAL   42 - HB    VAL   42   2.36 +/- 0.10  91.174% * 85.0505% (0.80  10.0   5.73  88.10) =  98.382%  kept
          HN    LEU   73 - HB    VAL   42   3.97 +/- 0.77   8.686% * 14.6841% (0.80   1.0   3.45   1.68) =   1.618%  kept
          HN    ILE   19 - HB    VAL   42   7.24 +/- 0.66   0.132% *  0.0256% (0.24   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB    VAL   42  11.97 +/- 0.63   0.006% *  0.0596% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB2   LYS+ 112  14.45 +/- 0.59   0.002% *  0.0421% (0.40   1.0   0.02   0.02) =   0.000%
          HN    LEU   73 - HB2   LYS+ 112  20.03 +/- 2.12   0.000% *  0.0600% (0.57   1.0   0.02   0.02) =   0.000%
          HN    VAL   42 - HB2   LYS+ 112  21.39 +/- 1.65   0.000% *  0.0600% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HB2   LYS+ 112  21.95 +/- 2.61   0.000% *  0.0181% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 0.542, support = 1.76, residual support = 4.32:
          QD    PHE   60 - HB    VAL   42   7.33 +/- 1.39  22.460% * 83.0927% (0.66   2.00   4.96) =  77.324%  kept
          QD    PHE   55 - HB2   LYS+ 112   5.92 +/- 3.35  67.756% *  7.4632% (0.12   0.98   2.31) =  20.951%  kept
          HE3   TRP   27 - HB    VAL   42   9.71 +/- 1.75   6.647% *  6.0974% (0.22   0.45   0.02) =   1.679%  kept
          HN    LYS+  66 - HB    VAL   42  10.18 +/- 0.53   2.108% *  0.3023% (0.24   0.02   0.02) =   0.026%
          QD    PHE   60 - HB2   LYS+ 112  12.65 +/- 1.73   0.542% *  0.5864% (0.47   0.02   0.02) =   0.013%
          QD    PHE   55 - HB    VAL   42  17.10 +/- 2.15   0.345% *  0.2152% (0.17   0.02   0.02) =   0.003%
          HN    LYS+  81 - HB    VAL   42  19.58 +/- 1.29   0.038% *  1.0777% (0.86   0.02   0.02) =   0.002%
          HN    LYS+  66 - HB2   LYS+ 112  16.89 +/- 1.44   0.089% *  0.2133% (0.17   0.02   0.02) =   0.001%
          HN    LYS+  81 - HB2   LYS+ 112  27.61 +/- 2.48   0.005% *  0.7605% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LYS+ 112  24.36 +/- 1.88   0.010% *  0.1913% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 10 structures by 0.92 A, kept.
 
    Peak 2272 (6.71, 1.39, 32.90 ppm):
    6 chemical-shift based assignments, quality = 0.461, support = 0.941, residual support = 5.78:
        T QD    PHE   72 - HB    VAL   42   3.82 +/- 0.62  92.925% * 81.0670% (0.46 10.00   0.94   5.78) =  98.579%  kept
          HZ    PHE   72 - HB    VAL   42   6.20 +/- 0.75   6.264% * 17.3139% (0.78  1.00   1.18   5.78) =   1.419%  kept
          QE    PHE   45 - HB    VAL   42   9.35 +/- 0.76   0.762% *  0.1121% (0.30  1.00   0.02   0.02) =   0.001%
        T QD    PHE   72 - HB2   LYS+ 112  16.83 +/- 1.52   0.021% *  1.2200% (0.32 10.00   0.02   0.02) =   0.000%
          HZ    PHE   72 - HB2   LYS+ 112  18.39 +/- 1.63   0.010% *  0.2080% (0.55  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - HB2   LYS+ 112  17.16 +/- 1.34   0.018% *  0.0791% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 2 structures by 0.21 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   2.56 +/- 0.22  99.973% * 99.2681% (0.14  10.0   2.86  15.44) = 100.000%  kept
          HN    LEU   40 - HA1   GLY  101  10.28 +/- 1.06   0.027% *  0.7319% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 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   2.88 +/- 0.09  99.957% * 99.7871% (0.38  10.0   2.86  15.44) = 100.000%  kept
          HN    LEU   40 - HA2   GLY  101  10.75 +/- 0.87   0.043% *  0.2129% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2275 (8.24, 4.31, 53.06 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 1.71, residual support = 5.19:
      O   HN    SER   13 - HA    ALA   12   2.57 +/- 0.16  99.986% * 99.9814% (0.84  10.0   1.71   5.19) = 100.000%  kept
          HN    VAL   18 - HA    ALA   12  14.88 +/- 2.48   0.014% *  0.0186% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2276 (8.38, 4.31, 53.06 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.38, residual support = 12.4:
      O   HN    ALA   12 - HA    ALA   12   2.75 +/- 0.18  99.998% * 99.8617% (0.85  10.0   2.38  12.38) = 100.000%  kept
          HN    ASN   35 - HA    ALA   12  20.29 +/- 4.12   0.002% *  0.0618% (0.53   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ALA   12  26.87 +/- 2.85   0.000% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ALA   12  32.40 +/- 2.20   0.000% *  0.0382% (0.33   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2277 (8.36, 1.39, 19.22 ppm):
    4 chemical-shift based assignments, quality = 0.46, support = 2.3, residual support = 12.4:
      O   HN    ALA   12 - QB    ALA   12   2.83 +/- 0.11  99.990% * 99.7294% (0.46  10.0   2.30  12.38) = 100.000%  kept
          HN    ASN   35 - QB    ALA   12  16.52 +/- 3.52   0.008% *  0.1891% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    ALA   12  21.48 +/- 2.90   0.001% *  0.0456% (0.21   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    ALA   12  20.61 +/- 3.40   0.001% *  0.0359% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2278 (8.39, 4.29, 56.56 ppm):
    8 chemical-shift based assignments, quality = 0.647, support = 3.51, residual support = 12.1:
      O   HN    ALA   12 - HA    MET   11   2.55 +/- 0.13  99.877% * 99.5700% (0.65  10.0   3.51  12.12) = 100.000%  kept
          HN    ALA   12 - HA    GLU-  14   8.18 +/- 0.65   0.121% *  0.0391% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    MET   11  20.52 +/- 4.21   0.001% *  0.0343% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    GLU-  14  18.44 +/- 2.17   0.001% *  0.0134% (0.09   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU-  14  22.32 +/- 1.52   0.000% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    MET   11  28.84 +/- 3.14   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    GLU-  14  26.88 +/- 1.48   0.000% *  0.0484% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    MET   11  35.32 +/- 2.44   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 3.59, residual support = 12.1:
          HN    ALA   12 - HG3   MET   11   3.85 +/- 0.29  97.089% * 98.7313% (0.97   3.59  12.12) =  99.994%  kept
          HN    ALA   12 - HB3   GLU-  14   8.21 +/- 1.48   2.879% *  0.1955% (0.34   0.02   0.02) =   0.006%
          HN    ASN   35 - HB3   GLU-  14  17.33 +/- 2.27   0.021% *  0.1147% (0.20   0.02   0.02) =   0.000%
          HN    ASN   35 - HG3   MET   11  21.87 +/- 4.41   0.007% *  0.3230% (0.57   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   GLU-  14  21.81 +/- 1.59   0.003% *  0.0833% (0.15   0.02   0.02) =   0.000%
          HN    PHE   97 - HG3   MET   11  29.93 +/- 3.15   0.001% *  0.2345% (0.41   0.02   0.02) =   0.000%
          HN    LEU  115 - HB3   GLU-  14  26.99 +/- 1.83   0.001% *  0.0833% (0.15   0.02   0.02) =   0.000%
          HN    LEU  115 - HG3   MET   11  36.08 +/- 2.34   0.000% *  0.2345% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2280 (8.32, 4.41, 58.75 ppm):
    18 chemical-shift based assignments, quality = 0.923, support = 2.11, residual support = 6.68:
      O   HN    GLU-  14 - HA    SER   13   2.46 +/- 0.19  99.971% * 99.1146% (0.92  10.0   2.11   6.68) = 100.000%  kept
          HN    ASP-  86 - HA    THR   46  13.36 +/- 1.37   0.006% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   37  13.00 +/- 0.29   0.005% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   37  13.37 +/- 0.54   0.004% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    SER   37  15.83 +/- 3.06   0.003% *  0.0530% (0.49   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   13  16.97 +/- 3.43   0.002% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   46  16.80 +/- 2.08   0.002% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    THR   46  18.47 +/- 1.12   0.001% *  0.0520% (0.48   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   37  15.01 +/- 0.34   0.002% *  0.0177% (0.16   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   37  18.95 +/- 3.58   0.001% *  0.0459% (0.43   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   13  18.90 +/- 3.50   0.001% *  0.0331% (0.31   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   13  22.28 +/- 3.60   0.000% *  0.0860% (0.80   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   46  20.10 +/- 1.68   0.000% *  0.0472% (0.44   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   13  23.56 +/- 2.74   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    THR   46  19.29 +/- 1.33   0.001% *  0.0201% (0.19   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    THR   46  23.57 +/- 2.32   0.000% *  0.0600% (0.56   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   13  29.88 +/- 3.34   0.000% *  0.0780% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   37  26.88 +/- 1.99   0.000% *  0.0417% (0.39   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 0.675, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    SER   13  12.33 +/- 2.15  23.674% * 21.8157% (0.99   0.02   0.02) =  43.567%  kept
          HN    LEU   73 - HA    THR   46  11.52 +/- 0.75  29.186% *  7.5418% (0.34   0.02   0.02) =  18.568%  kept
          HN    ILE   19 - HA    THR   46  13.63 +/- 1.30  10.671% * 13.2032% (0.60   0.02   0.02) =  11.885%  kept
          HN    VAL   42 - HA    SER   37  13.00 +/- 0.50  14.637% *  6.6588% (0.30   0.02   0.02) =   8.222%  kept
          HN    VAL   42 - HA    THR   46  14.54 +/- 0.43   7.160% *  7.5418% (0.34   0.02   0.02) =   4.555%  kept
          HN    LEU   73 - HA    SER   13  16.14 +/- 2.37   4.044% * 12.4613% (0.57   0.02   0.02) =   4.251%  kept
          HN    ILE   19 - HA    SER   37  16.57 +/- 0.92   3.621% * 11.6574% (0.53   0.02   0.02) =   3.561%  kept
          HN    VAL   42 - HA    SER   13  17.08 +/- 2.58   2.972% * 12.4613% (0.57   0.02   0.02) =   3.124%  kept
          HN    LEU   73 - HA    SER   37  16.12 +/- 0.74   4.034% *  6.6588% (0.30   0.02   0.02) =   2.266%  kept
    Distance limit 3.34 A violated in 20 structures by 5.87 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 = 26.7:
      O   HN    SER   37 - HB3   SER   37   2.52 +/- 0.29  99.984% * 99.5355% (0.83  10.0   3.42  26.70) = 100.000%  kept
          HN    SER   37 - QB    SER   13  15.65 +/- 3.66   0.004% *  0.0762% (0.63   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - QB    SER   13  14.11 +/- 2.37   0.009% *  0.0288% (0.24   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB3   SER   37  15.45 +/- 0.90   0.002% *  0.0377% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   SER   37  23.56 +/- 1.80   0.000% *  0.0839% (0.70   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    SER   13  23.83 +/- 1.47   0.000% *  0.0642% (0.53   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   SER   37  25.97 +/- 1.92   0.000% *  0.0984% (0.82   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    SER   13  27.79 +/- 2.92   0.000% *  0.0753% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2283 (4.34, 1.92, 30.50 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 0.02, residual support = 0.02:
          HA    PHE   59 - HB3   GLU-  14  20.26 +/- 1.62  55.828% * 22.8936% (0.69   0.02   0.02) =  68.285%  kept
          HA    TRP   87 - HB3   GLU-  14  28.37 +/- 2.81   7.702% * 33.2545% (1.00   0.02   0.02) =  13.685%  kept
          HA    LEU  104 - HB3   GLU-  14  25.04 +/- 2.09  16.608% * 12.5086% (0.38   0.02   0.02) =  11.099%  kept
          HA    PHE   59 - HG3   MET   11  29.37 +/- 1.92   6.210% *  8.1279% (0.24   0.02   0.02) =   2.697%  kept
          HA    ASP- 113 - HB3   GLU-  14  29.80 +/- 2.20   6.028% *  5.1424% (0.15   0.02   0.02) =   1.656%  kept
          HA    TRP   87 - HG3   MET   11  35.81 +/- 4.84   2.385% * 11.8063% (0.35   0.02   0.02) =   1.504%  kept
          HA    LEU  104 - HG3   MET   11  32.34 +/- 3.77   4.029% *  4.4409% (0.13   0.02   0.02) =   0.956%  kept
          HA    ASP- 113 - HG3   MET   11  38.75 +/- 2.49   1.210% *  1.8257% (0.05   0.02   0.02) =   0.118%
    Distance limit 3.53 A violated in 20 structures by 14.82 A, eliminated.
    Peak unassigned.
 
    Peak 2285 (8.33, 1.92, 30.50 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 3.76, residual support = 48.3:
      O   HN    GLU-  14 - HB3   GLU-  14   3.25 +/- 0.24  99.798% * 99.5831% (0.92  10.0   3.76  48.27) = 100.000%  kept
          HN    GLU-  14 - HG3   MET   11   9.78 +/- 0.89   0.173% *  0.0354% (0.33   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HB3   GLU-  14  15.09 +/- 2.15   0.016% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  14  20.08 +/- 3.66   0.003% *  0.1069% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  14  21.87 +/- 1.95   0.001% *  0.1079% (1.00   1.0   0.02   0.02) =   0.000%
          HN    GLN   30 - HG3   MET   11  20.49 +/- 4.76   0.008% *  0.0131% (0.12   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   MET   11  28.22 +/- 4.17   0.000% *  0.0380% (0.35   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   MET   11  28.57 +/- 3.73   0.000% *  0.0383% (0.36   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  14  27.16 +/- 2.30   0.000% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   MET   11  34.01 +/- 5.09   0.000% *  0.0106% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2286 (8.34, 2.08, 30.50 ppm):
    12 chemical-shift based assignments, quality = 0.487, support = 3.76, residual support = 48.3:
      O   HN    GLU-  14 - HB2   GLU-  14   3.37 +/- 0.47  99.280% * 99.3938% (0.49  10.0   3.76  48.27) = 100.000%  kept
          HN    GLU-  14 - HG2   MET   11   9.72 +/- 0.80   0.257% *  0.0372% (0.18   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ARG+  54  19.44 +/- 4.32   0.438% *  0.0194% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   GLU-  14  17.56 +/- 2.16   0.008% *  0.0839% (0.41   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  14  20.03 +/- 3.14   0.004% *  0.1321% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  14  21.96 +/- 2.06   0.002% *  0.1483% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   11  21.54 +/- 4.56   0.007% *  0.0314% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   MET   11  28.21 +/- 3.82   0.001% *  0.0555% (0.27   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ARG+  54  26.57 +/- 3.25   0.001% *  0.0218% (0.11   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   MET   11  27.94 +/- 4.17   0.001% *  0.0495% (0.24   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ARG+  54  27.01 +/- 3.57   0.002% *  0.0146% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ARG+  54  30.73 +/- 2.73   0.000% *  0.0123% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2289 (8.65, 4.41, 56.54 ppm):
    9 chemical-shift based assignments, quality = 0.965, support = 2.07, residual support = 6.04:
      O   HN    GLY   16 - HA    GLU-  15   2.57 +/- 0.17  99.991% * 99.5949% (0.97  10.0   2.07   6.04) = 100.000%  kept
          HN    GLY   16 - HA    LEU   40  13.55 +/- 1.63   0.006% *  0.0805% (0.78   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    LEU   40  19.16 +/- 1.51   0.001% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    ASN   35  18.07 +/- 1.66   0.001% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    GLU-  15  23.51 +/- 1.13   0.000% *  0.0826% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LEU   40  23.00 +/- 1.89   0.000% *  0.0573% (0.56   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLU-  15  24.84 +/- 0.91   0.000% *  0.0709% (0.69   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ASN   35  23.36 +/- 2.49   0.000% *  0.0131% (0.13   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    ASN   35  26.35 +/- 1.29   0.000% *  0.0153% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2290 (8.81, 4.13, 56.27 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.01, residual support = 106.2:
      O   HN    ASN   28 - HA    ASN   28   2.73 +/- 0.04  99.999% * 99.8927% (0.84  10.0   6.01 106.18) = 100.000%  kept
          HN    ASN   69 - HA    ASN   28  19.43 +/- 0.84   0.001% *  0.1073% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 2.55, residual support = 17.1:
        T HB2   LEU   31 - HA    ASN   28   3.19 +/- 0.28  99.036% * 93.5437% (0.38 10.00   2.55  17.10) =  99.998%  kept
        T QB    ALA   84 - HA    ASN   28  13.18 +/- 1.31   0.028% *  2.4869% (1.00 10.00   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    ASN   28   8.74 +/- 0.99   0.342% *  0.0935% (0.38  1.00   0.02   1.85) =   0.000%
          HG3   LYS+  33 - HA    ASN   28   8.91 +/- 1.55   0.361% *  0.0621% (0.25  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ASN   28  11.10 +/- 0.92   0.071% *  0.2405% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ASN   28  11.62 +/- 2.65   0.090% *  0.1311% (0.53  1.00   0.02   0.63) =   0.000%
          HB3   ASP-  44 - HA    ASN   28  14.59 +/- 1.57   0.017% *  0.1905% (0.76  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ASN   28  12.39 +/- 1.07   0.035% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ASN   28  23.71 +/- 3.35   0.001% *  2.2353% (0.90 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ASN   28  16.35 +/- 2.27   0.009% *  0.1025% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ASN   28  19.81 +/- 1.59   0.003% *  0.2492% (1.00  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASN   28  17.86 +/- 1.07   0.004% *  0.1512% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ASN   28  19.59 +/- 1.30   0.002% *  0.1612% (0.65  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ASN   28  23.64 +/- 1.62   0.001% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASN   28  29.15 +/- 1.93   0.000% *  0.1213% (0.49  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASN   28  27.71 +/- 2.55   0.000% *  0.0769% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2292 (0.79, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 3.0, residual support = 17.1:
          HG    LEU   31 - HA    ASN   28   3.12 +/- 0.90  98.060% * 97.1720% (0.61   3.00  17.10) =  99.983%  kept
          QD2   LEU   73 - HA    ASN   28   7.44 +/- 0.71   1.932% *  0.8162% (0.76   0.02   1.85) =   0.017%
          QD1   ILE   56 - HA    ASN   28  19.61 +/- 1.62   0.005% *  1.0308% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    ASN   28  23.68 +/- 2.65   0.001% *  0.8162% (0.76   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    ASN   28  23.77 +/- 2.19   0.002% *  0.1648% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.19 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   2.83 +/- 0.18  99.999% * 99.8461% (0.97  10.0   2.60   5.20) = 100.000%  kept
          HN    SER  117 - HA2   GLY   16  21.56 +/- 1.13   0.001% *  0.0828% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY   16  27.16 +/- 0.99   0.000% *  0.0711% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2294 (7.70, 3.96, 45.84 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.26, residual support = 16.5:
      O   HN    GLN   17 - HA2   GLY   16   3.46 +/- 0.04  99.713% * 99.5709% (0.65  10.0   3.26  16.49) = 100.000%  kept
          HD21  ASN   69 - HA2   GLY   16  10.81 +/- 1.76   0.198% *  0.0690% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA2   GLY   16  11.78 +/- 1.20   0.084% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA2   GLY   16  19.27 +/- 0.71   0.003% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA2   GLY   16  26.35 +/- 1.84   0.001% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA2   GLY   16  27.31 +/- 1.27   0.000% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA2   GLY   16  26.91 +/- 1.78   0.000% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2295 (7.70, 4.04, 45.84 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.26, residual support = 16.5:
      O   HN    GLN   17 - HA1   GLY   16   3.23 +/- 0.05  99.659% * 99.5709% (0.65  10.0   3.26  16.49) = 100.000%  kept
          HD21  ASN   69 - HA1   GLY   16   9.80 +/- 1.94   0.259% *  0.0690% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA1   GLY   16  11.14 +/- 1.16   0.078% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA1   GLY   16  18.62 +/- 0.86   0.003% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA1   GLY   16  25.29 +/- 2.25   0.000% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HA1   GLY   16  26.39 +/- 1.52   0.000% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA1   GLY   16  26.02 +/- 1.85   0.000% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2296 (8.64, 4.04, 45.84 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 2.6, residual support = 5.2:
      O   HN    GLY   16 - HA1   GLY   16   2.35 +/- 0.19 100.000% * 99.6694% (0.57  10.0   2.60   5.20) = 100.000%  kept
          HN    SER  117 - HA1   GLY   16  20.52 +/- 1.41   0.000% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA1   GLY   16  26.52 +/- 1.03   0.000% *  0.1757% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA1   GLY   16  22.73 +/- 1.76   0.000% *  0.0348% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HA1   GLY   16  26.65 +/- 2.41   0.000% *  0.0601% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2297 (1.80, 2.21, 33.80 ppm):
    18 chemical-shift based assignments, quality = 0.584, support = 4.31, residual support = 84.5:
      O T HB3   GLN   17 - QG    GLN   17   2.36 +/- 0.13  98.713% * 99.0943% (0.58  10.0 10.00   4.31  84.50) =  99.999%  kept
          QB    LYS+  65 - QG    GLN   17   7.49 +/- 2.27   0.648% *  0.1251% (0.74   1.0  1.00   0.02   0.02) =   0.001%
          HB2   LEU   71 - HB    VAL   70   6.57 +/- 0.24   0.236% *  0.0260% (0.15   1.0  1.00   0.02  33.06) =   0.000%
          QB    LYS+  66 - HB    VAL   70   6.77 +/- 0.95   0.253% *  0.0109% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HB    VAL   70  11.32 +/- 1.42   0.011% *  0.2030% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG    GLN   17  10.79 +/- 1.00   0.013% *  0.1271% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG    GLN   17   9.96 +/- 1.44   0.026% *  0.0533% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB    VAL   70   9.10 +/- 0.92   0.034% *  0.0256% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB    VAL   70   9.69 +/- 0.70   0.025% *  0.0066% (0.04   1.0  1.00   0.02   2.70) =   0.000%
          HB2   LYS+  99 - HB    VAL   70   9.68 +/- 1.14   0.032% *  0.0041% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB    VAL   70  13.88 +/- 1.24   0.003% *  0.0238% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QG    GLN   17  15.04 +/- 1.22   0.002% *  0.0323% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    GLN   17  17.99 +/- 1.49   0.001% *  0.0891% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG    GLN   17  20.10 +/- 1.07   0.000% *  0.1163% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    GLN   17  17.81 +/- 1.40   0.001% *  0.0200% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB    VAL   70  14.29 +/- 1.42   0.002% *  0.0041% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   70  18.90 +/- 1.81   0.000% *  0.0182% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    GLN   17  20.04 +/- 1.10   0.000% *  0.0200% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2298 (7.70, 2.21, 33.80 ppm):
    14 chemical-shift based assignments, quality = 0.489, support = 5.49, residual support = 83.7:
          HN    GLN   17 - QG    GLN   17   2.60 +/- 0.52  88.415% * 88.7291% (0.49   5.50  84.50) =  98.637%  kept
          HD21  ASN   69 - HB    VAL   70   4.83 +/- 0.94  11.313% *  9.5762% (0.07   4.18  26.09) =   1.362%  kept
          HN    ALA   61 - QG    GLN   17  10.23 +/- 1.63   0.097% *  0.2426% (0.37   0.02   0.02) =   0.000%
          HN    GLN   17 - HB    VAL   70   8.64 +/- 1.49   0.135% *  0.0661% (0.10   0.02   0.02) =   0.000%
          HD21  ASN   69 - QG    GLN   17  11.90 +/- 1.22   0.015% *  0.2235% (0.34   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    VAL   70  11.85 +/- 1.25   0.017% *  0.0497% (0.08   0.02   0.02) =   0.000%
          HN    TRP   27 - QG    GLN   17  14.40 +/- 1.30   0.003% *  0.0769% (0.12   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG    GLN   17  21.83 +/- 1.60   0.000% *  0.3991% (0.61   0.02   0.02) =   0.000%
          HN    ALA   91 - QG    GLN   17  21.90 +/- 1.89   0.000% *  0.2049% (0.31   0.02   0.02) =   0.000%
          HN    TRP   87 - QG    GLN   17  22.10 +/- 1.24   0.000% *  0.2426% (0.37   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    VAL   70  20.25 +/- 2.26   0.001% *  0.0818% (0.13   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    VAL   70  16.45 +/- 0.75   0.002% *  0.0158% (0.02   0.02   0.02) =   0.000%
          HN    TRP   87 - HB    VAL   70  22.46 +/- 1.51   0.000% *  0.0497% (0.08   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    VAL   70  23.29 +/- 1.92   0.000% *  0.0420% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2299 (8.27, 2.21, 33.80 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 5.81, residual support = 50.1:
          HN    VAL   18 - QG    GLN   17   3.63 +/- 0.30  97.549% * 99.7451% (0.76   5.81  50.10) =  99.998%  kept
          HN    SER   13 - QG    GLN   17   8.69 +/- 1.48   2.155% *  0.0766% (0.17   0.02   0.02) =   0.002%
          HN    VAL   18 - HB    VAL   70  10.44 +/- 1.15   0.249% *  0.0703% (0.16   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG    GLN   17  16.45 +/- 1.40   0.013% *  0.0766% (0.17   0.02   0.02) =   0.000%
          HN    SER   13 - HB    VAL   70  16.03 +/- 2.69   0.025% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB    VAL   70  17.65 +/- 0.76   0.008% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2300 (7.70, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.17, residual support = 84.5:
      O   HN    GLN   17 - HB3   GLN   17   3.18 +/- 0.35  99.860% * 99.5709% (0.65  10.0   5.17  84.50) = 100.000%  kept
          HN    ALA   61 - HB3   GLN   17  10.84 +/- 1.73   0.112% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
          HD21  ASN   69 - HB3   GLN   17  13.75 +/- 1.45   0.020% *  0.0690% (0.45   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   GLN   17  16.48 +/- 0.91   0.006% *  0.0237% (0.15   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   GLN   17  24.47 +/- 1.91   0.001% *  0.1232% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   GLN   17  24.19 +/- 2.12   0.001% *  0.0633% (0.41   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   GLN   17  24.72 +/- 1.51   0.001% *  0.0749% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2301 (8.27, 1.79, 31.50 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 5.47, residual support = 50.1:
          HN    VAL   18 - HB3   GLN   17   3.52 +/- 0.44  98.545% * 99.8372% (1.00   5.47  50.10) =  99.999%  kept
          HN    SER   13 - HB3   GLN   17  10.39 +/- 1.90   1.451% *  0.0814% (0.22   0.02   0.02) =   0.001%
          HN    GLU-  29 - HB3   GLN   17  18.92 +/- 0.96   0.005% *  0.0814% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2302 (1.80, 4.42, 54.38 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 4.0, residual support = 84.5:
      O T HB3   GLN   17 - HA    GLN   17   2.68 +/- 0.27  96.375% * 99.4149% (0.76  10.0 10.00   4.00  84.50) =  99.995%  kept
          QB    LYS+  65 - HA    GLN   17   6.24 +/- 2.25   3.480% *  0.1255% (0.97   1.0  1.00   0.02   0.02) =   0.005%
          QB    LYS+  66 - HA    GLN   17   9.03 +/- 1.58   0.108% *  0.0535% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    GLN   17  11.50 +/- 1.03   0.030% *  0.1275% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    GLN   17  15.91 +/- 1.32   0.004% *  0.0324% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    GLN   17  17.86 +/- 1.50   0.002% *  0.0894% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    GLN   17  21.36 +/- 0.97   0.000% *  0.1167% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    GLN   17  18.61 +/- 1.31   0.001% *  0.0201% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    GLN   17  20.99 +/- 1.26   0.001% *  0.0201% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2303 (1.80, 2.01, 31.84 ppm):
    27 chemical-shift based assignments, quality = 0.185, support = 4.0, residual support = 84.5:
      O T HB3   GLN   17 - HB2   GLN   17   1.75 +/- 0.00  99.571% * 94.0226% (0.18  10.0 10.00   4.00  84.50) =  99.998%  kept
        T HB3   GLN   17 - QB    GLU-  15   6.34 +/- 0.73   0.086% *  1.0553% (0.21   1.0 10.00   0.02   0.02) =   0.001%
          QB    LYS+  66 - HB3   PRO   68   6.18 +/- 1.43   0.246% *  0.1269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HB3   PRO   68  11.23 +/- 3.41   0.007% *  2.3590% (0.46   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB3   PRO   68   7.63 +/- 1.44   0.033% *  0.2979% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   GLN   17   8.05 +/- 2.36   0.032% *  0.1187% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QB    GLU-  15   8.84 +/- 1.02   0.008% *  0.1333% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QB    GLU-  15   9.77 +/- 1.73   0.006% *  0.1354% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB3   PRO   68  11.65 +/- 1.15   0.002% *  0.3026% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    GLU-  15   9.67 +/- 1.18   0.005% *  0.0568% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   GLN   17  12.41 +/- 1.34   0.002% *  0.1206% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   GLN   17  11.13 +/- 1.47   0.002% *  0.0506% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   PRO   68  18.24 +/- 2.23   0.000% *  0.2768% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   68  14.37 +/- 2.18   0.001% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - QB    GLU-  15  14.42 +/- 2.04   0.001% *  0.0344% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   PRO   68  15.61 +/- 1.19   0.000% *  0.0770% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QB    GLU-  15  18.77 +/- 2.13   0.000% *  0.1238% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   GLN   17  18.56 +/- 1.62   0.000% *  0.0845% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   GLN   17  16.87 +/- 1.63   0.000% *  0.0307% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    GLU-  15  15.92 +/- 2.32   0.000% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   PRO   68  22.50 +/- 1.70   0.000% *  0.2120% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QB    GLU-  15  21.32 +/- 1.41   0.000% *  0.0949% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   PRO   68  19.95 +/- 2.13   0.000% *  0.0476% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   GLN   17  22.64 +/- 0.88   0.000% *  0.1103% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QB    GLU-  15  19.80 +/- 1.91   0.000% *  0.0213% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   GLN   17  20.25 +/- 1.32   0.000% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   GLN   17  22.20 +/- 1.36   0.000% *  0.0190% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2304 (4.75, 2.01, 31.84 ppm):
    3 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 35.1:
      O   HA    PRO   68 - HB3   PRO   68   2.39 +/- 0.17  95.625% * 99.9155% (0.19  10.0   2.96  35.14) =  99.998%  kept
          HA    PRO   68 - QB    GLU-  15   6.14 +/- 2.76   4.348% *  0.0447% (0.08   1.0   0.02   0.02) =   0.002%
          HA    PRO   68 - HB2   GLN   17  10.71 +/- 2.76   0.027% *  0.0398% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2305 (8.27, 2.01, 31.84 ppm):
    9 chemical-shift based assignments, quality = 0.241, support = 5.47, residual support = 50.1:
          HN    VAL   18 - HB2   GLN   17   2.42 +/- 0.32  99.543% * 97.9599% (0.24   5.47  50.10) =  99.999%  kept
          HN    VAL   18 - QB    GLU-  15   8.13 +/- 0.32   0.096% *  0.4019% (0.27   0.02   0.02) =   0.000%
          HN    SER   13 - QB    GLU-  15   7.27 +/- 0.89   0.231% *  0.0897% (0.06   0.02   0.02) =   0.000%
          HN    VAL   18 - HB3   PRO   68  11.87 +/- 2.47   0.015% *  0.8983% (0.61   0.02   0.02) =   0.000%
          HN    SER   13 - HB2   GLN   17  11.21 +/- 2.03   0.109% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    SER   13 - HB3   PRO   68  15.08 +/- 3.82   0.004% *  0.2004% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  15  16.82 +/- 1.42   0.001% *  0.0897% (0.06   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   GLN   17  18.56 +/- 0.76   0.001% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   PRO   68  22.41 +/- 1.39   0.000% *  0.2004% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2306 (8.28, 4.42, 54.38 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 5.47, residual support = 50.1:
      O   HN    VAL   18 - HA    GLN   17   2.59 +/- 0.03  99.999% * 99.9233% (0.84  10.0   5.47  50.10) = 100.000%  kept
          HN    GLU-  29 - HA    GLN   17  19.11 +/- 0.54   0.001% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   17  24.58 +/- 1.08   0.000% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2307 (0.38, 4.42, 54.38 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 1.22, residual support = 2.44:
        T QB    ALA   64 - HA    GLN   17   3.51 +/- 1.30  97.765% * 97.4182% (0.69 10.00   1.22   2.44) =  99.973%  kept
        T QG1   VAL   42 - HA    GLN   17   8.56 +/- 0.81   1.963% *  1.1290% (0.49 10.00   0.02   0.02) =   0.023%
        T QB    ALA   47 - HA    GLN   17  16.50 +/- 1.50   0.247% *  1.4068% (0.61 10.00   0.02   0.02) =   0.004%
          HG2   LYS+ 112 - HA    GLN   17  19.31 +/- 3.34   0.025% *  0.0459% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 3 structures by 0.65 A, kept.
 
    Peak 2308 (8.28, 1.96, 32.56 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.99, residual support = 77.1:
      O   HN    VAL   18 - HB    VAL   18   2.52 +/- 0.40  99.997% * 99.9233% (0.84  10.0   4.99  77.06) = 100.000%  kept
          HN    GLU-  29 - HB    VAL   18  16.59 +/- 0.75   0.002% *  0.0582% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB    VAL   18  20.42 +/- 1.28   0.001% *  0.0185% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2309 (2.84, 4.00, 62.64 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 1.5, residual support = 6.35:
        T HB2   PHE   72 - HA    VAL   18   2.59 +/- 0.48  98.216% * 99.1293% (0.49 10.00   1.50   6.35) =  99.995%  kept
          HA    ALA   64 - HA    VAL   18   5.80 +/- 1.22   1.783% *  0.2662% (0.98  1.00   0.02   8.61) =   0.005%
        T HB3   ASN   35 - HA    VAL   18  18.90 +/- 0.74   0.001% *  0.6045% (0.22 10.00   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 4.88, residual support = 22.5:
      O   HN    ILE   19 - HA    VAL   18   2.26 +/- 0.03  99.448% * 99.7159% (0.73  10.0   4.88  22.49) =  99.999%  kept
          HN    LEU   73 - HA    VAL   18   5.63 +/- 0.58   0.519% *  0.1268% (0.92   1.0   0.02   0.02) =   0.001%
          HN    VAL   42 - HA    VAL   18   8.70 +/- 0.55   0.033% *  0.1268% (0.92   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   18  17.73 +/- 0.67   0.000% *  0.0306% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2311 (1.46, 0.86, 22.91 ppm):
    11 chemical-shift based assignments, quality = 0.553, support = 0.0199, residual support = 0.609:
          HG    LEU   73 - QG1   VAL   18   6.17 +/- 1.11  43.013% *  8.7275% (0.61   0.02   0.02) =  65.577%  kept
          QB    ALA   61 - QG1   VAL   18   6.22 +/- 1.46  46.681% *  2.2202% (0.15   0.02   3.27) =  18.105%  kept
          HG    LEU   67 - QG1   VAL   18   9.91 +/- 1.42   2.796% * 14.3572% (1.00   0.02   0.02) =   7.013%  kept
          HG    LEU   40 - QG1   VAL   18  11.17 +/- 1.41   1.017% * 14.2618% (0.99   0.02   0.02) =   2.533%  kept
          HB3   LEU   67 - QG1   VAL   18   9.36 +/- 0.82   3.137% *  3.5880% (0.25   0.02   0.02) =   1.966%  kept
          QG    LYS+  66 - QG1   VAL   18  10.51 +/- 1.23   1.291% *  5.9156% (0.41   0.02   0.02) =   1.334%  kept
          HB3   LEU  115 - QG1   VAL   18  12.72 +/- 1.50   0.505% * 14.2618% (0.99   0.02   0.02) =   1.258%  kept
          HB3   LEU   40 - QG1   VAL   18  11.77 +/- 1.23   0.808% *  6.4511% (0.45   0.02   0.02) =   0.910%  kept
          HG    LEU  115 - QG1   VAL   18  12.73 +/- 1.40   0.489% *  9.8840% (0.69   0.02   0.02) =   0.844%  kept
          QB    ALA  120 - QG1   VAL   18  14.39 +/- 0.94   0.210% *  9.8840% (0.69   0.02   0.02) =   0.363%
          HG2   LYS+ 102 - QG1   VAL   18  18.73 +/- 1.45   0.052% * 10.4487% (0.73   0.02   0.02) =   0.096%
    Distance limit 2.88 A violated in 20 structures by 2.17 A, eliminated.
    Peak unassigned.
 
    Peak 2312 (1.29, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.487, support = 2.96, residual support = 9.27:
        T QB    ALA   34 - QG1   VAL   41   2.23 +/- 0.28  99.685% * 97.8928% (0.49 10.00   2.96   9.27) = 100.000%  kept
        T QB    ALA   34 - QG2   VAL   18  10.66 +/- 0.59   0.012% *  0.7481% (0.37 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG1   VAL   41   7.48 +/- 0.91   0.107% *  0.0352% (0.18  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QG2   VAL   18   8.50 +/- 1.21   0.054% *  0.0474% (0.24  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QG2   VAL   18   9.80 +/- 1.07   0.024% *  0.0932% (0.46  1.00   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QG1   VAL   41  13.72 +/- 1.39   0.003% *  0.6207% (0.31 10.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG2   VAL   18  10.67 +/- 1.06   0.012% *  0.1284% (0.64  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   VAL   41  12.27 +/- 0.95   0.005% *  0.1680% (0.84  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QG1   VAL   41  13.14 +/- 1.38   0.006% *  0.1220% (0.61  1.00   0.02   0.02) =   0.000%
          QB    ALA   34 - QD2   LEU  104   8.13 +/- 0.84   0.053% *  0.0053% (0.03  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG1   VAL   41  14.84 +/- 1.59   0.002% *  0.0501% (0.25  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   18  15.97 +/- 1.27   0.001% *  0.0383% (0.19  1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD2   LEU  104  13.32 +/- 2.07   0.012% *  0.0033% (0.02  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD2   LEU  104   9.99 +/- 1.14   0.020% *  0.0019% (0.01  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG2   VAL   18  18.19 +/- 1.21   0.000% *  0.0269% (0.13  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - QD2   LEU  104  15.33 +/- 2.08   0.002% *  0.0066% (0.03  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD2   LEU  104  17.31 +/- 1.87   0.001% *  0.0090% (0.04  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU  104  16.14 +/- 2.41   0.001% *  0.0027% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2313 (1.82, 0.76, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.835, support = 4.0, residual support = 74.7:
      O T HB    VAL   41 - QG1   VAL   41   2.13 +/- 0.01  90.214% * 94.4718% (0.84  10.0 10.00   4.01  74.76) =  99.943%  kept
          HB3   GLN   17 - QG2   VAL   18   5.05 +/- 0.93   1.314% *  3.5593% (0.15   1.0  1.00   4.16  50.10) =   0.055%
          HB2   LEU   71 - QG1   VAL   41   4.70 +/- 0.89   1.523% *  0.0777% (0.69   1.0  1.00   0.02   4.38) =   0.001%
          QB    LYS+ 102 - QD2   LEU  104   4.07 +/- 1.28   5.571% *  0.0051% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD2   LEU  104   7.39 +/- 1.47   0.450% *  0.0507% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QG2   VAL   18   6.81 +/- 2.05   0.235% *  0.0628% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG1   VAL   41   6.53 +/- 1.00   0.151% *  0.0777% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG1   VAL   41   6.97 +/- 1.00   0.106% *  0.0945% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QG2   VAL   18  11.74 +/- 1.18   0.005% *  0.7220% (0.64   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   18   8.57 +/- 1.44   0.031% *  0.0834% (0.74   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  104   5.85 +/- 0.92   0.318% *  0.0042% (0.04   1.0  1.00   0.02  36.61) =   0.000%
          HB2   LEU   71 - QG2   VAL   18   8.96 +/- 0.72   0.019% *  0.0594% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   18  11.68 +/- 1.22   0.004% *  0.0847% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG1   VAL   41  12.20 +/- 0.68   0.003% *  0.1092% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QG1   VAL   41  14.16 +/- 0.41   0.001% *  0.0821% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD2   LEU  104  10.04 +/- 1.43   0.016% *  0.0042% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  104  19.57 +/- 3.66   0.023% *  0.0025% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG2   VAL   18  15.46 +/- 1.25   0.001% *  0.0594% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG1   VAL   41  16.97 +/- 1.03   0.000% *  0.1109% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU  104  11.42 +/- 1.53   0.007% *  0.0059% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   18  14.36 +/- 1.16   0.001% *  0.0355% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG2   VAL   18  16.72 +/- 1.02   0.000% *  0.0722% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   18  15.38 +/- 1.79   0.001% *  0.0355% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  14.79 +/- 1.24   0.001% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QG1   VAL   41  16.68 +/- 2.23   0.001% *  0.0465% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG1   VAL   41  20.23 +/- 2.09   0.000% *  0.0465% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QD2   LEU  104  12.87 +/- 2.04   0.003% *  0.0025% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU  104  14.56 +/- 1.16   0.001% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU  104  17.00 +/- 1.48   0.000% *  0.0060% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  18.43 +/- 1.33   0.000% *  0.0012% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2314 (1.49, 0.75, 22.78 ppm):
    24 chemical-shift based assignments, quality = 0.599, support = 2.35, residual support = 12.2:
          HB3   LEU   40 - QG1   VAL   41   5.18 +/- 0.22   5.633% * 83.5774% (0.46   3.79  20.18) =  59.887%  kept
          HG2   LYS+  65 - QG2   VAL   18   6.34 +/- 3.07  30.146% *  8.5703% (0.76   0.24   0.02) =  32.863%  kept
          HB2   LYS+  74 - QG2   VAL   18   4.10 +/- 1.28  59.472% *  0.9430% (0.99   0.02   0.99) =   7.134%  kept
          HB3   LEU   40 - QD2   LEU  104   6.50 +/- 1.16   3.075% *  0.0887% (0.09   0.02   0.02) =   0.035%
          QG2   THR   26 - QG2   VAL   18   8.61 +/- 0.63   0.291% *  0.7947% (0.84   0.02   0.02) =   0.029%
          QG2   THR   26 - QG1   VAL   41   8.91 +/- 0.94   0.296% *  0.6073% (0.64   0.02   0.02) =   0.023%
          QD    LYS+  66 - QG2   VAL   18   9.91 +/- 1.63   0.166% *  0.2937% (0.31   0.02   0.02) =   0.006%
          HD2   LYS+ 121 - QD2   LEU  104   8.99 +/- 2.10   0.472% *  0.1004% (0.11   0.02   0.02) =   0.006%
          HB2   LYS+  74 - QG1   VAL   41  12.17 +/- 0.99   0.041% *  0.7207% (0.76   0.02   0.02) =   0.004%
          HB3   LEU   40 - QG2   VAL   18  11.94 +/- 0.92   0.043% *  0.5771% (0.61   0.02   0.02) =   0.003%
          HG    LEU  115 - QG2   VAL   18  11.75 +/- 1.63   0.065% *  0.3571% (0.38   0.02   0.02) =   0.003%
          HD2   LYS+ 121 - QG1   VAL   41  13.98 +/- 2.22   0.021% *  0.4995% (0.52   0.02   0.02) =   0.001%
          QB    ALA  120 - QG2   VAL   18  13.50 +/- 1.28   0.021% *  0.3571% (0.38   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QG2   VAL   18  15.42 +/- 2.02   0.011% *  0.6536% (0.69   0.02   0.02) =   0.001%
          QB    ALA  120 - QD2   LEU  104  10.27 +/- 1.59   0.117% *  0.0549% (0.06   0.02   0.02) =   0.001%
          QB    ALA  120 - QG1   VAL   41  14.09 +/- 1.45   0.016% *  0.2729% (0.29   0.02   0.02) =   0.001%
          HG2   LYS+  65 - QG1   VAL   41  15.70 +/- 0.87   0.008% *  0.5557% (0.58   0.02   0.02) =   0.001%
          QD    LYS+  66 - QG1   VAL   41  14.04 +/- 0.76   0.015% *  0.2244% (0.24   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  14.58 +/- 1.61   0.020% *  0.1221% (0.13   0.02   0.02) =   0.000%
          HG    LEU  115 - QG1   VAL   41  16.30 +/- 1.15   0.006% *  0.2729% (0.29   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  104  16.40 +/- 1.76   0.012% *  0.1449% (0.15   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  12.92 +/- 1.72   0.034% *  0.0451% (0.05   0.02   0.02) =   0.000%
          HG    LEU  115 - QD2   LEU  104  14.19 +/- 1.20   0.015% *  0.0549% (0.06   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  16.76 +/- 1.32   0.006% *  0.1117% (0.12   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.36 A, kept.
 
    Peak 2315 (3.75, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 0.986, residual support = 3.27:
        T HA    ALA   61 - QG2   VAL   18   4.41 +/- 2.34  91.016% * 97.7242% (0.87 10.00   0.99   3.27) =  99.987%  kept
        T HA    ALA   61 - QG1   VAL   41  14.55 +/- 0.86   0.176% *  1.5154% (0.66 10.00   0.02   0.02) =   0.003%
          HD2   PRO   68 - QG1   VAL   41  11.27 +/- 1.00   1.519% *  0.1712% (0.75  1.00   0.02   0.02) =   0.003%
          HD2   PRO   68 - QG2   VAL   18  10.06 +/- 1.32   1.114% *  0.2241% (0.98  1.00   0.02   0.02) =   0.003%
          HA    VAL   24 - QG1   VAL   41  10.41 +/- 0.96   2.065% *  0.0850% (0.37  1.00   0.02   0.02) =   0.002%
          HA    VAL   24 - QG2   VAL   18  11.94 +/- 0.85   0.995% *  0.1113% (0.49  1.00   0.02   0.02) =   0.001%
          HD2   PRO   68 - QD2   LEU  104  11.68 +/- 1.48   1.769% *  0.0344% (0.15  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - QG2   VAL   18   9.87 +/- 1.65   0.845% *  0.0452% (0.20  1.00   0.02   0.02) =   0.000%
          HA    ALA   61 - QD2   LEU  104  15.87 +/- 1.32   0.175% *  0.0305% (0.13  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG1   VAL   41  17.76 +/- 1.38   0.071% *  0.0346% (0.15  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QD2   LEU  104  16.30 +/- 2.35   0.136% *  0.0171% (0.07  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - QD2   LEU  104  17.10 +/- 2.15   0.119% *  0.0070% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 11 structures by 1.66 A, kept.
 
    Peak 2316 (4.86, 0.76, 22.78 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.24, residual support = 74.8:
      O T HA    VAL   41 - QG1   VAL   41   2.71 +/- 0.25  99.181% * 98.8372% (0.65  10.0 10.00   4.24  74.76) =  99.999%  kept
        T HA    VAL   41 - QG2   VAL   18  10.22 +/- 0.80   0.048% *  0.7553% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QG2   VAL   18   8.81 +/- 1.18   0.148% *  0.1165% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   41 - QD2   LEU  104   8.36 +/- 1.18   0.211% *  0.0531% (0.03   1.0 10.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QG1   VAL   41  12.38 +/- 0.59   0.016% *  0.1524% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG1   VAL   41  12.00 +/- 2.83   0.024% *  0.0425% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QD2   LEU  104   8.22 +/- 2.37   0.357% *  0.0023% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG2   VAL   18  13.64 +/- 1.78   0.008% *  0.0325% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   45 - QD2   LEU  104  15.06 +/- 1.95   0.007% *  0.0082% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2317 (7.29, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.988, support = 0.0199, residual support = 0.975:
          QD    PHE   60 - QG1   VAL   18   4.70 +/- 1.06  95.608% * 36.4324% (1.00   0.02   1.00) =  97.623%  kept
          HN    LYS+  66 - QG1   VAL   18   9.32 +/- 1.13   2.540% * 25.0257% (0.69   0.02   0.02) =   1.782%  kept
          QE    PHE   59 - QG1   VAL   18   9.69 +/- 1.51   1.572% *  8.1111% (0.22   0.02   0.02) =   0.357%
          HN    LYS+  81 - QG1   VAL   18  13.89 +/- 0.71   0.279% * 30.4309% (0.84   0.02   0.02) =   0.238%
    Distance limit 3.04 A violated in 16 structures by 1.64 A, eliminated.
    Peak unassigned.
 
    Peak 2318 (8.26, 0.86, 22.91 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.49, residual support = 77.1:
          HN    VAL   18 - QG1   VAL   18   3.50 +/- 0.24  99.906% * 99.8233% (0.92   5.49  77.06) = 100.000%  kept
          HN    SER   13 - QG1   VAL   18  12.50 +/- 1.98   0.094% *  0.1767% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2319 (8.45, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.308, support = 0.986, residual support = 0.986:
          HN    LYS+  74 - QG1   VAL   18   3.70 +/- 0.77  98.717% * 88.9035% (0.31   0.99   0.99) =  99.938%  kept
          HN    THR   46 - QG1   VAL   18   8.42 +/- 1.01   1.214% *  4.2386% (0.73   0.02   0.02) =   0.059%
          HN    MET   92 - QG1   VAL   18  14.47 +/- 1.31   0.045% *  5.2349% (0.90   0.02   0.02) =   0.003%
          HN    ASP- 113 - QG1   VAL   18  17.48 +/- 1.86   0.024% *  1.6229% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 4 structures by 0.41 A, kept.
 
    Peak 2320 (8.92, 0.86, 22.91 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.88, residual support = 22.5:
          HN    ILE   19 - QG1   VAL   18   2.52 +/- 0.41  91.926% * 99.8061% (0.84   4.88  22.49) =  99.991%  kept
          HN    LEU   73 - QG1   VAL   18   4.43 +/- 1.14   7.925% *  0.0970% (0.20   0.02   0.02) =   0.008%
          HN    VAL   42 - QG1   VAL   18   7.79 +/- 1.19   0.149% *  0.0970% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2321 (7.28, 0.75, 22.78 ppm):
    15 chemical-shift based assignments, quality = 0.802, support = 1.0, residual support = 0.99:
          QD    PHE   60 - QG2   VAL   18   4.09 +/- 1.33  89.037% * 79.2082% (0.80   1.01   1.00) =  99.134%  kept
          HN    LYS+  66 - QG2   VAL   18   7.77 +/- 1.84   4.478% * 12.9540% (0.98   0.14   0.02) =   0.815%  kept
          QE    PHE   59 - QG2   VAL   18   9.12 +/- 1.46   0.733% *  1.1073% (0.57   0.02   0.02) =   0.011%
          QD    PHE   60 - QG1   VAL   41  11.38 +/- 1.04   0.634% *  1.1969% (0.61   0.02   0.02) =   0.011%
          HN    PHE   59 - QG2   VAL   18   9.05 +/- 1.78   0.943% *  0.4354% (0.22   0.02   0.02) =   0.006%
          QE    PHE   59 - QG1   VAL   41  11.67 +/- 1.90   0.463% *  0.8462% (0.43   0.02   0.02) =   0.006%
          HN    LYS+  66 - QG1   VAL   41  13.59 +/- 0.50   0.246% *  1.4651% (0.75   0.02   0.02) =   0.005%
          QE    PHE   59 - QD2   LEU  104  10.12 +/- 1.55   1.943% *  0.1702% (0.09   0.02   0.02) =   0.005%
          HN    LYS+  66 - QD2   LEU  104  13.74 +/- 1.39   0.612% *  0.2946% (0.15   0.02   0.02) =   0.003%
          HN    LYS+  81 - QG2   VAL   18  15.30 +/- 1.23   0.146% *  0.8769% (0.45   0.02   0.02) =   0.002%
          QD    PHE   60 - QD2   LEU  104  12.73 +/- 1.62   0.464% *  0.2407% (0.12   0.02   0.02) =   0.002%
          HN    LYS+  81 - QG1   VAL   41  17.42 +/- 1.98   0.074% *  0.6701% (0.34   0.02   0.02) =   0.001%
          HN    PHE   59 - QG1   VAL   41  16.42 +/- 1.14   0.065% *  0.3328% (0.17   0.02   0.02) =   0.000%
          HN    PHE   59 - QD2   LEU  104  15.66 +/- 1.69   0.147% *  0.0669% (0.03   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD2   LEU  104  22.08 +/- 3.09   0.015% *  0.1347% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 6 structures by 1.00 A, kept.
 
    Peak 2322 (8.28, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.607, support = 5.27, residual support = 77.1:
          HN    VAL   18 - QG2   VAL   18   2.32 +/- 0.65  99.621% * 98.1458% (0.61   5.27  77.06) =  99.999%  kept
          HN    GLN   30 - QG1   VAL   41   7.89 +/- 0.72   0.263% *  0.1170% (0.19   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG1   VAL   41   9.66 +/- 0.63   0.064% *  0.3408% (0.55   0.02   0.02) =   0.000%
          HN    VAL   18 - QG1   VAL   41  13.42 +/- 0.85   0.011% *  0.2846% (0.46   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG2   VAL   18  14.10 +/- 0.74   0.007% *  0.4459% (0.73   0.02   0.02) =   0.000%
          HN    GLN   30 - QG2   VAL   18  12.51 +/- 0.71   0.015% *  0.1531% (0.25   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG1   VAL   41  15.19 +/- 2.03   0.006% *  0.1448% (0.24   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG2   VAL   18  16.84 +/- 1.20   0.002% *  0.1895% (0.31   0.02   0.02) =   0.000%
          HN    GLU-  29 - QD2   LEU  104  16.72 +/- 1.72   0.003% *  0.0685% (0.11   0.02   0.02) =   0.000%
          HN    GLN   30 - QD2   LEU  104  15.08 +/- 1.63   0.005% *  0.0235% (0.04   0.02   0.02) =   0.000%
          HN    VAL   18 - QD2   LEU  104  16.96 +/- 1.17   0.002% *  0.0572% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  86 - QD2   LEU  104  18.67 +/- 3.22   0.002% *  0.0291% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2324 (8.99, 0.76, 22.78 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 4.54, residual support = 74.8:
          HN    VAL   41 - QG1   VAL   41   2.03 +/- 0.25  99.505% * 98.4901% (0.14   4.54  74.76) = 100.000%  kept
          HN    VAL   41 - QD2   LEU  104   6.22 +/- 0.83   0.429% *  0.0233% (0.01   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG1   VAL   41  11.43 +/- 0.65   0.004% *  0.6351% (0.20   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QD2   LEU  104   7.52 +/- 0.27   0.058% *  0.0341% (0.01   0.02   0.02) =   0.000%
          HN    VAL   41 - QG2   VAL   18  11.92 +/- 0.75   0.003% *  0.3319% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG2   VAL   18  14.66 +/- 1.09   0.001% *  0.4854% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2325 (6.61, 0.60, 22.78 ppm):
    4 chemical-shift based assignments, quality = 0.357, support = 5.34, residual support = 87.3:
          HN    VAL   83 - QG1   VAL   83   2.63 +/- 0.40  99.875% * 98.5343% (0.36   5.34  87.28) = 100.000%  kept
          HE22  GLN   30 - QG1   VAL   83   9.95 +/- 1.80   0.103% *  0.1778% (0.17   0.02   0.02) =   0.000%
          HN    CYS   50 - QG1   VAL   83  13.97 +/- 1.85   0.010% *  0.7793% (0.75   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   83  13.04 +/- 1.73   0.012% *  0.5086% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2326 (1.09, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.456, support = 0.82, residual support = 1.19:
          QG1   VAL   24 - QG1   VAL   83   2.68 +/- 1.57  79.282% * 32.1643% (0.46  1.00   0.73   1.19) =  72.713%  kept
          QG2   VAL   24 - QG1   VAL   83   3.68 +/- 1.32  20.606% * 46.3837% (0.46  1.00   1.06   1.19) =  27.254%  kept
        T QG1   VAL  107 - QG1   VAL   83  13.39 +/- 1.26   0.062% * 14.4940% (0.75 10.00   0.02   0.02) =   0.025%
        T HG    LEU   63 - QG1   VAL   83  16.03 +/- 1.40   0.044% *  6.2711% (0.33 10.00   0.02   0.02) =   0.008%
          HD3   LYS+ 112 - QG1   VAL   83  20.87 +/- 2.65   0.006% *  0.6869% (0.36  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 2 structures by 0.30 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 = 0.472, support = 0.02, residual support = 0.02:
        T HG3   GLU-  25 - HA    ILE   19  16.00 +/- 0.49  14.808% * 27.9530% (0.14 10.00   0.02   0.02) =  38.520%  kept
          HB3   PHE   97 - HA    ILE   19  16.61 +/- 1.20  13.155% * 19.0666% (0.92  1.00   0.02   0.02) =  23.342%  kept
          QG    GLU-  79 - HA    ILE   19  12.67 +/- 1.38  59.550% *  3.1869% (0.15  1.00   0.02   0.02) =  17.661%  kept
          HB2   PRO   58 - HA    ILE   19  17.99 +/- 1.57   8.106% * 19.0666% (0.92  1.00   0.02   0.02) =  14.382%  kept
          HB2   GLU- 100 - HA    ILE   19  21.14 +/- 1.15   2.957% * 14.1878% (0.69  1.00   0.02   0.02) =   3.904%  kept
          HB2   GLN  116 - HA    ILE   19  23.82 +/- 1.46   1.424% * 16.5389% (0.80  1.00   0.02   0.02) =   2.192%  kept
    Distance limit 3.74 A violated in 20 structures by 7.75 A, eliminated.
    Peak unassigned.
 
    Peak 2330 (8.72, 4.18, 60.49 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.05, residual support = 25.9:
      O   HN    ALA   20 - HA    ILE   19   2.22 +/- 0.04  99.998% * 99.9363% (0.73  10.0   5.05  25.95) = 100.000%  kept
          HN    PHE   45 - HA    ILE   19  13.46 +/- 0.88   0.002% *  0.0425% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - HA    ILE   19  22.29 +/- 2.25   0.000% *  0.0212% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.60 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 = 6.73, residual support = 173.8:
      O   HN    ILE   19 - HA    ILE   19   2.91 +/- 0.02  99.518% * 99.8764% (0.98  10.0   6.73 173.80) = 100.000%  kept
          HN    LEU   73 - HA    ILE   19   7.25 +/- 0.29   0.427% *  0.0618% (0.61   1.0   0.02   4.00) =   0.000%
          HN    VAL   42 - HA    ILE   19  10.28 +/- 0.67   0.055% *  0.0618% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2332 (5.57, 2.00, 37.78 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 2.0, residual support = 4.0:
          HA    LEU   73 - HB    ILE   19   3.78 +/- 0.66 100.000% *100.0000% (0.95   2.00   4.00) = 100.000%  kept
    Distance limit 3.79 A violated in 3 structures by 0.28 A, kept.
 
    Peak 2333 (8.94, 2.00, 37.78 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.95, residual support = 173.8:
      O   HN    ILE   19 - HB    ILE   19   2.30 +/- 0.24  98.974% * 99.6598% (0.65  10.0   5.95 173.80) =  99.998%  kept
          HN    LEU   73 - HB    ILE   19   5.44 +/- 0.56   0.913% *  0.1487% (0.97   1.0   0.02   4.00) =   0.001%
          HN    VAL   42 - HB    ILE   19   7.75 +/- 0.92   0.112% *  0.1487% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB    ILE   19  19.02 +/- 0.85   0.000% *  0.0428% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2334 (1.27, 0.69, 58.05 ppm):
    9 chemical-shift based assignments, quality = 0.278, support = 4.89, residual support = 173.8:
      O   HG13  ILE   19 - QG2   ILE   19   2.87 +/- 0.20  98.153% * 98.1968% (0.28  10.0   4.89 173.80) =  99.996%  kept
          QB    ALA   34 - QG2   ILE   19   7.08 +/- 0.91   0.566% *  0.3501% (0.99   1.0   0.02   0.02) =   0.002%
          QG2   THR   39 - QG2   ILE   19   7.18 +/- 0.86   0.499% *  0.2142% (0.61   1.0   0.02   0.02) =   0.001%
          QG2   THR   23 - QG2   ILE   19   7.65 +/- 0.30   0.312% *  0.2699% (0.76   1.0   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QG2   ILE   19   7.54 +/- 0.75   0.431% *  0.0478% (0.14   1.0   0.02   8.02) =   0.000%
          QG2   ILE   56 - QG2   ILE   19  12.84 +/- 1.40   0.018% *  0.3462% (0.98   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG2   ILE   19  14.63 +/- 1.25   0.006% *  0.3064% (0.87   1.0   0.02   0.02) =   0.000%
          QB    ALA   91 - QG2   ILE   19  14.86 +/- 0.88   0.006% *  0.2142% (0.61   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QG2   ILE   19  13.98 +/- 1.17   0.009% *  0.0545% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2335 (1.43, 0.69, 58.05 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 5.44, residual support = 173.8:
      O   HG12  ILE   19 - QG2   ILE   19   2.87 +/- 0.38  88.393% * 99.0974% (0.95  10.0  1.00   5.44 173.80) =  99.993%  kept
          HG    LEU   73 - QG2   ILE   19   4.60 +/- 0.64   9.489% *  0.0551% (0.53   1.0  1.00   0.02   4.00) =   0.006%
          HB3   LYS+  74 - QG2   ILE   19   5.83 +/- 0.62   1.839% *  0.0393% (0.38   1.0  1.00   0.02   8.02) =   0.001%
        T QB    LEU   98 - QG2   ILE   19  10.81 +/- 1.01   0.046% *  0.1835% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   ILE   19  10.25 +/- 1.38   0.067% *  0.1027% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - QG2   ILE   19  10.17 +/- 0.71   0.061% *  0.0940% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QG2   ILE   19  10.56 +/- 1.69   0.049% *  0.1038% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   ILE   19  11.04 +/- 1.14   0.035% *  0.0593% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   ILE   19  12.92 +/- 0.80   0.014% *  0.0761% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QG2   ILE   19  16.52 +/- 1.73   0.004% *  0.1027% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   ILE   19  18.96 +/- 2.45   0.002% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   ILE   19  17.70 +/- 1.08   0.002% *  0.0431% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2336 (2.01, 0.69, 58.05 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 4.89, residual support = 173.8:
      O   HB    ILE   19 - QG2   ILE   19   2.12 +/- 0.01  96.950% * 99.2447% (0.80  10.0   4.89 173.80) =  99.999%  kept
          HG3   GLN   30 - QG2   ILE   19   4.55 +/- 1.04   2.920% *  0.0276% (0.22   1.0   0.02  14.09) =   0.001%
          HB2   GLN   17 - QG2   ILE   19   7.37 +/- 0.62   0.064% *  0.1144% (0.92   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE   19   7.77 +/- 0.71   0.049% *  0.1144% (0.92   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE   19   9.96 +/- 0.62   0.010% *  0.1237% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   ILE   19  12.39 +/- 1.67   0.004% *  0.0702% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG2   ILE   19  12.93 +/- 1.15   0.002% *  0.0900% (0.73   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG2   ILE   19  17.87 +/- 1.47   0.000% *  0.1075% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE   19  21.03 +/- 2.01   0.000% *  0.1075% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2337 (2.75, 0.69, 58.05 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 2.13, residual support = 14.1:
          HG2   GLN   30 - QG2   ILE   19   3.91 +/- 0.93  99.419% * 96.5691% (0.65   2.13  14.09) =  99.996%  kept
          HB3   ASN   28 - QG2   ILE   19  10.48 +/- 0.78   0.372% *  0.5754% (0.41   0.02   0.02) =   0.002%
          HB3   HIS  122 - QG2   ILE   19  15.09 +/- 2.15   0.093% *  1.2140% (0.87   0.02   0.02) =   0.001%
          QE    LYS+ 121 - QG2   ILE   19  17.49 +/- 2.44   0.026% *  1.3964% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QG2   ILE   19  14.47 +/- 1.09   0.091% *  0.2451% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 3 structures by 0.35 A, kept.
 
    Peak 2338 (4.18, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.75, residual support = 173.8:
      O   HA    ILE   19 - QG2   ILE   19   2.76 +/- 0.29  99.939% * 99.7522% (0.92  10.0   5.75 173.80) = 100.000%  kept
          HA    GLU-  25 - QG2   ILE   19  10.00 +/- 0.58   0.054% *  0.1081% (1.00   1.0   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   ILE   19  16.10 +/- 1.28   0.004% *  0.0742% (0.69   1.0   0.02   0.02) =   0.000%
          HA    SER   82 - QG2   ILE   19  15.70 +/- 0.92   0.004% *  0.0655% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2339 (8.73, 0.69, 58.05 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.7, residual support = 25.9:
          HN    ALA   20 - QG2   ILE   19   2.96 +/- 0.32  99.933% * 97.9186% (0.31   3.70  25.95) =  99.999%  kept
          HN    PHE   45 - QG2   ILE   19  10.92 +/- 1.08   0.065% *  1.2461% (0.73   0.02   0.02) =   0.001%
          HN    ALA  110 - QG2   ILE   19  18.80 +/- 1.87   0.002% *  0.8353% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2340 (8.94, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.76, residual support = 173.7:
          HN    ILE   19 - QG2   ILE   19   3.32 +/- 0.28  90.862% * 98.8284% (0.65   5.76 173.80) =  99.948%  kept
          HN    LEU   73 - QG2   ILE   19   5.15 +/- 0.79   7.950% *  0.5120% (0.97   0.02   4.00) =   0.045%
          HN    VAL   42 - QG2   ILE   19   7.07 +/- 0.93   1.183% *  0.5120% (0.97   0.02   0.02) =   0.007%
          HN    LYS+ 106 - QG2   ILE   19  16.78 +/- 0.94   0.006% *  0.1475% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2341 (0.93, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.445, support = 0.0199, residual support = 0.431:
          QD2   LEU   67 - HG13  ILE   19   9.75 +/- 2.55  12.807% * 39.2581% (0.69   0.02   0.02) =  54.433%  kept
          QD1   LEU   40 - HG    LEU   71   6.27 +/- 1.43  64.586% *  3.3680% (0.06   0.02   1.77) =  23.550%  kept
          QD1   LEU   40 - HG13  ILE   19  10.36 +/- 1.17   4.412% * 23.4959% (0.41   0.02   0.02) =  11.222%  kept
          QD2   LEU   67 - HG    LEU   71   8.52 +/- 1.99  15.941% *  5.6275% (0.10   0.02   0.02) =   9.712%  kept
          QG2   ILE  119 - HG13  ILE   19  16.00 +/- 1.51   0.314% * 15.8904% (0.28   0.02   0.02) =   0.541%  kept
          QD1   ILE  103 - HG13  ILE   19  16.89 +/- 1.42   0.285% *  8.8183% (0.15   0.02   0.02) =   0.272%
          QD1   ILE  103 - HG    LEU   71  12.83 +/- 0.99   1.247% *  1.2641% (0.02   0.02   0.02) =   0.171%
          QG2   ILE  119 - HG    LEU   71  15.06 +/- 2.39   0.408% *  2.2778% (0.04   0.02   0.02) =   0.101%
    Distance limit 2.98 A violated in 19 structures by 2.77 A, eliminated.
    Peak unassigned.
 
    Peak 2342 (8.94, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.642, support = 5.9, residual support = 172.2:
          HN    ILE   19 - HG13  ILE   19   3.74 +/- 0.52  81.276% * 93.2838% (0.65   5.95 173.80) =  99.048%  kept
          HN    VAL   42 - HG    LEU   71   5.41 +/- 0.69  13.026% *  5.5137% (0.14   1.64   5.44) =   0.938%  kept
          HN    LEU   73 - HG13  ILE   19   7.55 +/- 0.75   1.339% *  0.4681% (0.97   0.02   4.00) =   0.008%
          HN    VAL   42 - HG13  ILE   19   9.43 +/- 1.27   0.438% *  0.4681% (0.97   0.02   0.02) =   0.003%
          HN    LEU   73 - HG    LEU   71   7.43 +/- 0.84   2.417% *  0.0671% (0.14   0.02   0.02) =   0.002%
          HN    ILE   19 - HG    LEU   71   8.18 +/- 1.08   1.489% *  0.0450% (0.09   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG13  ILE   19  20.78 +/- 1.10   0.003% *  0.1349% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   71  17.06 +/- 1.54   0.012% *  0.0193% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2343 (6.66, 0.69, 58.05 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 2.13, residual support = 14.1:
          HE22  GLN   30 - QG2   ILE   19   3.62 +/- 0.72  99.384% * 97.3474% (0.41   2.13  14.09) =  99.995%  kept
          HD22  ASN   69 - QG2   ILE   19  12.36 +/- 1.04   0.109% *  2.2135% (1.00   0.02   0.02) =   0.003%
          QE    PHE   45 - QG2   ILE   19   9.95 +/- 1.16   0.507% *  0.4390% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.97 A violated in 1 structures by 0.12 A, kept.
 
    Peak 2344 (7.18, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 1.5, residual support = 14.1:
          HE21  GLN   30 - QG2   ILE   19   3.06 +/- 0.73  97.046% * 96.5700% (1.00   1.50  14.09) =  99.965%  kept
          HD1   TRP   27 - QG2   ILE   19   6.88 +/- 1.38   2.905% *  1.1194% (0.87   0.02   0.02) =   0.035%
          QD    PHE   59 - QG2   ILE   19  12.71 +/- 1.18   0.040% *  1.1194% (0.87   0.02   0.02) =   0.000%
          HH2   TRP   49 - QG2   ILE   19  19.36 +/- 3.46   0.010% *  1.1912% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 1 structures by 0.05 A, kept.
 
    Peak 2345 (6.61, 0.74, 12.33 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 2.23, residual support = 14.1:
          HE22  GLN   30 - QD1   ILE   19   5.03 +/- 1.21  99.018% * 93.9549% (0.25   2.23  14.09) =  99.980%  kept
          HN    TRP   49 - QD1   ILE   19  18.50 +/- 2.49   0.388% *  2.1862% (0.65   0.02   0.02) =   0.009%
          HN    CYS   50 - QD1   ILE   19  18.47 +/- 2.50   0.238% *  2.7061% (0.80   0.02   0.02) =   0.007%
          HN    VAL   83 - QD1   ILE   19  14.92 +/- 0.72   0.356% *  1.1528% (0.34   0.02   0.02) =   0.004%
    Distance limit 4.10 A violated in 11 structures by 1.01 A, kept.
 
    Peak 2346 (8.98, 0.74, 12.33 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.02, residual support = 0.02:
          HN    LYS+ 106 - QD1   ILE   19  17.87 +/- 0.98 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 3.90 A violated in 20 structures by 13.97 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 = 25.9:
          HA    ILE   19 - QB    ALA   20   3.87 +/- 0.06  99.671% * 98.7253% (0.92   3.85  25.95) =  99.998%  kept
          HA    GLU-  25 - QB    ALA   20  10.67 +/- 0.28   0.228% *  0.5558% (1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QB    ALA   20  14.61 +/- 2.03   0.057% *  0.3818% (0.69   0.02   0.02) =   0.000%
          HA    SER   82 - QB    ALA   20  14.52 +/- 1.27   0.044% *  0.3371% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2348 (2.80, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.838, support = 0.0199, residual support = 6.63:
          QE    LYS+  74 - QB    ALA   20   5.97 +/- 0.97  71.842% * 25.4326% (0.90   0.02   8.16) =  81.182%  kept
          HB2   PHE   72 - QB    ALA   20   7.49 +/- 0.57  21.034% * 16.0552% (0.57   0.02   0.02) =  15.005%  kept
          QB    CYS   50 - QB    ALA   20  12.17 +/- 2.55   2.125% * 26.1780% (0.92   0.02   0.02) =   2.472%  kept
          HB3   ASP-  78 - QB    ALA   20  10.93 +/- 1.60   4.760% *  4.9664% (0.18   0.02   0.02) =   1.050%  kept
          HB3   ASN   69 - QB    ALA   20  15.85 +/- 0.65   0.239% * 27.3678% (0.97   0.02   0.02) =   0.291%
    Distance limit 3.58 A violated in 19 structures by 2.05 A, eliminated.
    Peak unassigned.
 
    Peak 2349 (7.35, 1.14, 19.25 ppm):
    7 chemical-shift based assignments, quality = 0.82, support = 1.92, residual support = 3.67:
          HD2   HIS   22 - QB    ALA   20   4.98 +/- 0.20  50.436% * 71.5120% (0.92   2.12   4.83) =  73.917%  kept
          HN    THR   23 - QB    ALA   20   5.03 +/- 0.35  48.466% * 26.2500% (0.53   1.36   0.37) =  26.073%  kept
          QE    PHE   95 - QB    ALA   20  10.58 +/- 1.22   0.695% *  0.3566% (0.49   0.02   0.02) =   0.005%
          HD1   TRP   49 - QB    ALA   20  15.22 +/- 2.81   0.168% *  0.7261% (0.99   0.02   0.02) =   0.003%
          HN    LEU   67 - QB    ALA   20  13.31 +/- 1.05   0.153% *  0.6570% (0.90   0.02   0.02) =   0.002%
          HD21  ASN   35 - QB    ALA   20  17.55 +/- 0.75   0.027% *  0.3854% (0.53   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   20  16.45 +/- 1.93   0.055% *  0.1130% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2350 (7.93, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.73, residual support = 15.2:
          HN    CYS   21 - QB    ALA   20   3.61 +/- 0.03  99.904% * 99.0928% (0.95   3.73  15.21) = 100.000%  kept
          HN    LYS+  33 - QB    ALA   20  12.65 +/- 0.36   0.054% *  0.3404% (0.61   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    ALA   20  15.54 +/- 1.81   0.022% *  0.1732% (0.31   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    ALA   20  18.87 +/- 1.19   0.005% *  0.2953% (0.53   0.02   0.02) =   0.000%
          HN    SER   37 - QB    ALA   20  15.96 +/- 0.49   0.014% *  0.0983% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.83 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   2.17 +/- 0.10  99.990% * 99.6086% (0.31  10.0   3.74  15.25) = 100.000%  kept
          HN    PHE   45 - QB    ALA   20  10.74 +/- 1.08   0.010% *  0.2343% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   20  18.41 +/- 2.21   0.000% *  0.1571% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2352 (1.84, 3.08, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.492, support = 0.02, residual support = 0.02:
          QB    LYS+  33 - HB2   CYS   21   9.93 +/- 1.38  48.783% *  4.7734% (0.34   0.02   0.02) =  39.181%  kept
          HB    VAL   41 - HB2   CYS   21  11.39 +/- 2.37  25.114% *  9.0526% (0.65   0.02   0.02) =  38.254%  kept
          QB    LYS+  81 - HB2   CYS   21  13.51 +/- 1.45  10.045% *  3.1155% (0.22   0.02   0.02) =   5.266%  kept
          HG12  ILE  103 - HB2   CYS   21  16.48 +/- 2.75   2.561% * 11.2053% (0.80   0.02   0.02) =   4.829%  kept
          QB    LYS+  66 - HB2   CYS   21  17.04 +/- 1.10   2.128% *  6.2738% (0.45   0.02   0.02) =   2.246%  kept
          HG2   ARG+  54 - HB2   CYS   21  20.27 +/- 3.21   1.394% *  6.8115% (0.49   0.02   0.02) =   1.598%  kept
          QB    LYS+ 106 - HB2   CYS   21  15.70 +/- 2.03   3.406% *  2.7693% (0.20   0.02   0.02) =   1.587%  kept
          HG3   PRO   68 - HB2   CYS   21  18.97 +/- 1.54   1.052% *  7.9226% (0.57   0.02   0.02) =   1.402%  kept
          HB    ILE  103 - HB2   CYS   21  18.87 +/- 2.66   1.072% *  7.3624% (0.53   0.02   0.02) =   1.328%  kept
          HB3   PRO   52 - HB2   CYS   21  21.95 +/- 1.61   0.482% * 13.7167% (0.98   0.02   0.02) =   1.112%  kept
          HB3   ASP- 105 - HB2   CYS   21  19.22 +/- 2.25   1.051% *  6.2738% (0.45   0.02   0.02) =   1.109%  kept
          HG2   PRO   93 - HB2   CYS   21  17.94 +/- 2.18   1.642% *  3.1155% (0.22   0.02   0.02) =   0.861%  kept
          HB3   GLN   90 - HB2   CYS   21  19.59 +/- 1.79   1.032% *  3.8908% (0.28   0.02   0.02) =   0.675%  kept
          HG    LEU  123 - HB2   CYS   21  25.20 +/- 2.25   0.239% * 13.7167% (0.98   0.02   0.02) =   0.552%  kept
    Distance limit 3.66 A violated in 20 structures by 5.07 A, eliminated.
    Peak unassigned.
 
    Peak 2353 (0.57, 3.08, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.799, support = 1.5, residual support = 8.56:
          QD1   LEU   73 - HB2   CYS   21   3.81 +/- 1.78  72.915% * 94.3053% (0.80   1.50   8.58) =  99.768%  kept
          QD2   LEU   80 - HB2   CYS   21   6.05 +/- 2.51  21.297% *  0.6456% (0.41   0.02   0.02) =   0.199%
          QD1   LEU   80 - HB2   CYS   21   7.13 +/- 2.44   4.944% *  0.3496% (0.22   0.02   0.02) =   0.025%
          QG2   VAL   41 - HB2   CYS   21   8.04 +/- 2.01   0.593% *  0.5894% (0.38   0.02   0.02) =   0.005%
          QD1   LEU   63 - HB2   CYS   21  12.79 +/- 1.72   0.060% *  1.2574% (0.80   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB2   CYS   21  13.61 +/- 1.60   0.042% *  1.4496% (0.92   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB2   CYS   21  10.75 +/- 2.13   0.110% *  0.3496% (0.22   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB2   CYS   21  15.59 +/- 2.23   0.027% *  0.3496% (0.22   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   CYS   21  18.08 +/- 1.33   0.011% *  0.7040% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 5 structures by 0.73 A, kept.
 
    Peak 2354 (4.60, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 2.61, residual support = 28.9:
      O T HA    CYS   21 - HB2   CYS   21   2.80 +/- 0.29  99.994% * 99.6850% (0.92  10.0 10.00   2.61  28.87) = 100.000%  kept
          HA    TRP   49 - HB2   CYS   21  20.05 +/- 2.71   0.002% *  0.0825% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   CYS   21  19.06 +/- 2.70   0.001% *  0.1058% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB2   CYS   21  19.03 +/- 2.75   0.002% *  0.0611% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB2   CYS   21  23.21 +/- 2.27   0.000% *  0.0655% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2355 (7.35, 3.08, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.702, support = 2.68, residual support = 5.37:
          HN    THR   23 - HB2   CYS   21   4.39 +/- 0.68  83.402% * 19.4145% (0.53   1.69   4.35) =  55.731%  kept
          HD2   HIS   22 - HB2   CYS   21   6.26 +/- 0.62  16.228% * 79.2501% (0.92   3.93   6.66) =  44.266%  kept
          QE    PHE   95 - HB2   CYS   21  12.50 +/- 1.82   0.248% *  0.2128% (0.49   0.02   0.02) =   0.002%
          HN    LEU   67 - HB2   CYS   21  16.39 +/- 1.16   0.039% *  0.3920% (0.90   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB2   CYS   21  15.90 +/- 2.10   0.049% *  0.2300% (0.53   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   CYS   21  19.08 +/- 2.52   0.026% *  0.4332% (0.99   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   CYS   21  21.01 +/- 1.62   0.008% *  0.0674% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.25 A, kept.
 
    Peak 2356 (7.93, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.38, residual support = 28.9:
      O   HN    CYS   21 - HB2   CYS   21   2.63 +/- 0.38  99.952% * 99.8294% (0.95  10.0   3.38  28.87) = 100.000%  kept
          HN    LYS+  33 - HB2   CYS   21  10.73 +/- 1.64   0.040% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   CYS   21  15.97 +/- 2.28   0.003% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB2   CYS   21  15.29 +/- 1.70   0.004% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   CYS   21  21.99 +/- 1.93   0.000% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2358 (1.84, 2.60, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.318, support = 0.0199, residual support = 0.0199:
          QB    LYS+  33 - HB3   CYS   21   9.47 +/- 1.38  59.383% *  4.7734% (0.23   0.02   0.02) =  49.714%  kept
          HB    VAL   41 - HB3   CYS   21  11.69 +/- 2.41  20.089% *  9.0526% (0.44   0.02   0.02) =  31.896%  kept
          QB    LYS+  81 - HB3   CYS   21  13.53 +/- 1.33   8.832% *  3.1155% (0.15   0.02   0.02) =   4.826%  kept
          HG12  ILE  103 - HB3   CYS   21  16.81 +/- 2.82   2.222% * 11.2053% (0.55   0.02   0.02) =   4.367%  kept
          QB    LYS+  66 - HB3   CYS   21  17.92 +/- 0.95   1.468% *  6.2738% (0.31   0.02   0.02) =   1.616%  kept
          HB    ILE  103 - HB3   CYS   21  19.23 +/- 2.74   0.914% *  7.3624% (0.36   0.02   0.02) =   1.181%  kept
          QB    LYS+ 106 - HB3   CYS   21  16.35 +/- 2.02   2.388% *  2.7693% (0.14   0.02   0.02) =   1.160%  kept
          HG3   PRO   68 - HB3   CYS   21  19.74 +/- 1.51   0.800% *  7.9226% (0.39   0.02   0.02) =   1.111%  kept
          HG2   ARG+  54 - HB3   CYS   21  21.33 +/- 2.93   0.795% *  6.8115% (0.33   0.02   0.02) =   0.949%  kept
          HB3   PRO   52 - HB3   CYS   21  22.98 +/- 1.59   0.346% * 13.7167% (0.67   0.02   0.02) =   0.833%  kept
          HB3   ASP- 105 - HB3   CYS   21  20.02 +/- 2.17   0.730% *  6.2738% (0.31   0.02   0.02) =   0.804%  kept
          HG2   PRO   93 - HB3   CYS   21  18.97 +/- 2.16   1.090% *  3.1155% (0.15   0.02   0.02) =   0.596%  kept
          HB3   GLN   90 - HB3   CYS   21  20.14 +/- 1.58   0.764% *  3.8908% (0.19   0.02   0.02) =   0.522%  kept
          HG    LEU  123 - HB3   CYS   21  26.18 +/- 1.79   0.177% * 13.7167% (0.67   0.02   0.02) =   0.426%
    Distance limit 3.76 A violated in 20 structures by 4.88 A, eliminated.
    Peak unassigned.
 
    Peak 2359 (1.49, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.596, support = 2.13, residual support = 2.74:
          QG2   THR   26 - HB3   CYS   21   2.61 +/- 1.04  98.989% * 95.7403% (0.60   2.13   2.74) =  99.989%  kept
          HB2   LYS+  74 - HB3   CYS   21   7.86 +/- 0.74   0.974% *  1.0331% (0.69   0.02   9.12) =   0.011%
          HG2   LYS+  65 - HB3   CYS   21  18.18 +/- 2.65   0.021% *  0.8291% (0.55   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB3   CYS   21  15.73 +/- 2.01   0.006% *  0.5862% (0.39   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB3   CYS   21  19.90 +/- 1.16   0.005% *  0.3532% (0.23   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   CYS   21  21.98 +/- 2.00   0.002% *  0.3532% (0.23   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   CYS   21  22.28 +/- 1.46   0.002% *  0.3532% (0.23   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   CYS   21  24.08 +/- 2.60   0.001% *  0.7518% (0.50   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 1 structures by 0.14 A, kept.
 
    Peak 2360 (0.57, 2.60, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.549, support = 1.5, residual support = 8.56:
          QD1   LEU   73 - HB3   CYS   21   4.06 +/- 1.83  73.541% * 94.3053% (0.55   1.50   8.58) =  99.776%  kept
          QD2   LEU   80 - HB3   CYS   21   6.17 +/- 2.42  20.210% *  0.6456% (0.28   0.02   0.02) =   0.188%
          QD1   LEU   80 - HB3   CYS   21   7.27 +/- 2.34   5.049% *  0.3496% (0.15   0.02   0.02) =   0.025%
          QG2   VAL   41 - HB3   CYS   21   8.21 +/- 2.02   0.884% *  0.5894% (0.26   0.02   0.02) =   0.007%
          QD1   LEU   63 - HB3   CYS   21  13.68 +/- 1.46   0.066% *  1.2574% (0.55   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB3   CYS   21  14.46 +/- 1.53   0.048% *  1.4496% (0.63   0.02   0.02) =   0.001%
          QD2   LEU   98 - HB3   CYS   21  10.94 +/- 2.20   0.160% *  0.3496% (0.15   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB3   CYS   21  16.05 +/- 2.21   0.031% *  0.3496% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   CYS   21  19.04 +/- 1.39   0.011% *  0.7040% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 5 structures by 0.74 A, kept.
 
    Peak 2361 (7.93, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.65, support = 3.38, residual support = 28.9:
      O   HN    CYS   21 - HB3   CYS   21   3.49 +/- 0.31  99.732% * 99.8294% (0.65  10.0   3.38  28.87) = 100.000%  kept
          HN    LYS+  33 - HB3   CYS   21  10.12 +/- 1.74   0.235% *  0.0640% (0.42   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   CYS   21  16.41 +/- 2.18   0.013% *  0.0326% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   CYS   21  15.01 +/- 1.70   0.020% *  0.0185% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   CYS   21  23.04 +/- 1.73   0.001% *  0.0555% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.01 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   3.24 +/- 1.88  99.444% * 88.5539% (0.52   0.75   1.50) =  99.989%  kept
          HD1   TRP   87 - HB3   CYS   21  13.06 +/- 2.17   0.125% *  2.8572% (0.63   0.02   0.02) =   0.004%
          HN    THR   39 - HB3   CYS   21  14.70 +/- 1.80   0.080% *  2.9279% (0.65   0.02   0.02) =   0.003%
          HN    ALA   61 - HB3   CYS   21  17.11 +/- 1.67   0.153% *  1.0558% (0.23   0.02   0.02) =   0.002%
          HN    GLU-  36 - HB3   CYS   21  14.33 +/- 1.75   0.084% *  1.7523% (0.39   0.02   0.02) =   0.002%
          HN    ALA   91 - HB3   CYS   21  18.29 +/- 1.75   0.045% *  1.2724% (0.28   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HB3   CYS   21  18.67 +/- 2.34   0.027% *  1.1616% (0.26   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   CYS   21  15.51 +/- 2.75   0.041% *  0.4189% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 3 structures by 0.45 A, kept.
 
    Peak 2363 (7.35, 2.60, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 3.05, residual support = 5.41:
          HN    THR   23 - HB3   CYS   21   4.43 +/- 0.39  79.128% * 23.2122% (0.36   2.19   4.35) =  54.101%  kept
          HD2   HIS   22 - HB3   CYS   21   5.66 +/- 0.47  20.622% * 75.5589% (0.63   4.07   6.66) =  45.897%  kept
          QE    PHE   95 - HB3   CYS   21  13.55 +/- 1.89   0.146% *  0.1958% (0.33   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB3   CYS   21  15.41 +/- 2.27   0.057% *  0.2116% (0.36   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   CYS   21  17.34 +/- 1.13   0.025% *  0.3607% (0.62   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   CYS   21  19.82 +/- 2.41   0.016% *  0.3987% (0.68   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   CYS   21  22.03 +/- 1.55   0.006% *  0.0621% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2364 (4.60, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.62, residual support = 28.9:
      O T HA    CYS   21 - HB3   CYS   21   2.54 +/- 0.10  99.998% * 99.6850% (0.63  10.0 10.00   2.62  28.87) = 100.000%  kept
          HA    LYS+ 102 - HB3   CYS   21  19.22 +/- 2.76   0.001% *  0.1058% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   49 - HB3   CYS   21  20.88 +/- 2.47   0.001% *  0.0825% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HB3   CYS   21  19.96 +/- 2.40   0.001% *  0.0611% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB3   CYS   21  24.15 +/- 2.22   0.000% *  0.0655% (0.42   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2365 (7.35, 3.50, 29.58 ppm):
    7 chemical-shift based assignments, quality = 0.728, support = 2.59, residual support = 34.2:
      O   HD2   HIS   22 - HB2   HIS   22   3.44 +/- 0.56  79.828% * 87.0314% (0.74  10.0   2.50  34.66) =  96.452%  kept
          HN    THR   23 - HB2   HIS   22   4.49 +/- 0.04  20.153% * 12.6805% (0.42   1.0   5.11  21.10) =   3.548%  kept
          HD1   TRP   49 - HB2   HIS   22  20.46 +/- 3.25   0.005% *  0.0934% (0.79   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB2   HIS   22  17.23 +/- 1.21   0.008% *  0.0459% (0.39   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   HIS   22  19.39 +/- 1.70   0.003% *  0.0496% (0.42   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   HIS   22  21.69 +/- 1.08   0.002% *  0.0846% (0.72   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   HIS   22  24.54 +/- 2.21   0.001% *  0.0145% (0.12   1.0   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 0.937, support = 3.15, residual support = 34.5:
      O   HD2   HIS   22 - HB3   HIS   22   3.34 +/- 0.51  80.992% * 94.7523% (0.95  10.0   3.12  34.66) =  98.776%  kept
          HN    THR   23 - HB3   HIS   22   4.43 +/- 0.13  18.997% *  5.0074% (0.18   1.0   5.71  21.10) =   1.224%  kept
          HD21  ASN   35 - HB3   HIS   22  19.24 +/- 1.61   0.003% *  0.0925% (0.92   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   HIS   22  20.63 +/- 2.73   0.002% *  0.0837% (0.84   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   HIS   22  17.32 +/- 1.29   0.005% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   HIS   22  21.73 +/- 1.16   0.001% *  0.0488% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2367 (1.30, 3.24, 29.58 ppm):
    5 chemical-shift based assignments, quality = 0.341, support = 3.31, residual support = 21.1:
          QG2   THR   23 - HB3   HIS   22   3.68 +/- 0.42  99.910% * 95.9707% (0.34   3.31  21.10) =  99.999%  kept
          QG2   THR   77 - HB3   HIS   22  12.79 +/- 1.59   0.077% *  1.6846% (0.99   0.02   0.02) =   0.001%
          QB    ALA   88 - HB3   HIS   22  18.03 +/- 1.56   0.009% *  1.2342% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   HIS   22  23.01 +/- 1.62   0.002% *  0.6379% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   HIS   22  23.95 +/- 1.31   0.002% *  0.4726% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2368 (7.03, 3.44, 70.99 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.2, residual support = 12.7:
          HN    ALA   47 - HB    THR   46   3.81 +/- 0.28  95.756% * 98.4519% (0.38   3.21  12.66) =  99.930%  kept
          QD    PHE   95 - HB    THR   46   7.76 +/- 1.58   4.244% *  1.5481% (0.95   0.02   0.02) =   0.070%
    Distance limit 4.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2369 (8.47, 3.44, 70.99 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.25, residual support = 34.5:
      O   HN    THR   46 - HB    THR   46   3.18 +/- 0.32  98.518% * 99.6646% (0.87  10.0   3.25  34.52) =  99.999%  kept
          HN    LYS+  74 - HB    THR   46   9.10 +/- 2.09   0.868% *  0.1126% (0.98   1.0   0.02   0.02) =   0.001%
          HN    MET   92 - HB    THR   46   9.36 +/- 1.98   0.598% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB    THR   46  15.28 +/- 1.87   0.015% *  0.0604% (0.53   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB    THR   46  29.38 +/- 5.09   0.000% *  0.0834% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2370 (1.31, 3.50, 29.58 ppm):
    8 chemical-shift based assignments, quality = 0.417, support = 0.02, residual support = 0.02:
          QG2   THR   77 - HB2   HIS   22  12.74 +/- 1.80  18.912% * 12.9434% (0.64  1.00   0.02   0.02) =  36.263%  kept
          HB3   LEU   80 - HB2   HIS   22  10.43 +/- 2.02  58.691% *  4.0306% (0.20  1.00   0.02   0.02) =  35.045%  kept
          HB2   LEU   31 - HB2   HIS   22  13.49 +/- 1.44  17.483% *  6.0667% (0.30  1.00   0.02   0.02) =  15.713%  kept
          QB    ALA   88 - HB2   HIS   22  18.03 +/- 1.79   2.443% * 16.1643% (0.80  1.00   0.02   0.02) =   5.850%  kept
        T HB2   LEU   63 - HB2   HIS   22  20.88 +/- 1.57   1.139% * 28.3087% (0.14 10.00   0.02   0.02) =   4.775%  kept
          HG2   LYS+  38 - HB2   HIS   22  23.12 +/- 1.71   0.644% * 13.5016% (0.67  1.00   0.02   0.02) =   1.289%  kept
          HG2   LYS+  99 - HB2   HIS   22  24.00 +/- 1.28   0.491% * 11.7377% (0.58  1.00   0.02   0.02) =   0.854%  kept
          HG2   LYS+ 111 - HB2   HIS   22  29.97 +/- 2.63   0.196% *  7.2470% (0.36  1.00   0.02   0.02) =   0.211%
    Distance limit 3.92 A violated in 20 structures by 5.45 A, eliminated.
    Peak unassigned.
 
    Peak 2372 (7.93, 4.63, 51.23 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 15.2:
      O   HN    CYS   21 - HA    ALA   20   2.25 +/- 0.02  99.997% * 99.8294% (0.95  10.0   2.96  15.21) = 100.000%  kept
          HN    LYS+  33 - HA    ALA   20  13.77 +/- 0.35   0.002% *  0.0640% (0.61   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ALA   20  17.19 +/- 1.91   0.001% *  0.0326% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ALA   20  21.06 +/- 1.15   0.000% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ALA   20  17.70 +/- 0.47   0.000% *  0.0185% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2373 (5.03, 4.63, 51.23 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HA    ASP-  76 - HA    ALA   20   8.84 +/- 1.18 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.18 A violated in 20 structures by 5.65 A, eliminated.
    Peak unassigned.
 
    Peak 2374 (2.40, 4.68, 56.96 ppm):
    5 chemical-shift based assignments, quality = 0.575, support = 0.0199, residual support = 0.0199:
          QG    GLU-  79 - HA    HIS   22   6.31 +/- 2.14  95.060% * 18.5628% (0.57   0.02   0.02) =  95.011%  kept
          QG    GLN   32 - HA    HIS   22  14.97 +/- 0.71   1.625% * 27.4474% (0.85   0.02   0.02) =   2.402%  kept
          HB3   PHE   45 - HA    HIS   22  14.28 +/- 0.90   2.945% * 13.7211% (0.42   0.02   0.02) =   2.175%  kept
          HB    VAL  107 - HA    HIS   22  21.72 +/- 1.11   0.201% * 26.5475% (0.82   0.02   0.02) =   0.287%
          QE    LYS+ 112 - HA    HIS   22  23.72 +/- 3.35   0.170% * 13.7211% (0.42   0.02   0.02) =   0.125%
    Distance limit 3.29 A violated in 16 structures by 2.94 A, eliminated.
    Peak unassigned.
 
    Peak 2375 (1.67, 4.68, 56.96 ppm):
    12 chemical-shift based assignments, quality = 0.306, support = 0.0198, residual support = 0.0198:
        T HB2   LEU   73 - HA    HIS   22   8.62 +/- 1.07  56.277% * 28.4146% (0.26 10.00   0.02   0.02) =  87.692%  kept
          HB    VAL   83 - HA    HIS   22  10.50 +/- 1.74  21.172% *  8.1833% (0.76  1.00   0.02   0.02) =   9.501%  kept
          HD2   LYS+  74 - HA    HIS   22  10.34 +/- 0.99  20.451% *  1.7898% (0.17  1.00   0.02   0.02) =   2.007%  kept
          HG3   PRO   93 - HA    HIS   22  19.20 +/- 2.18   0.530% *  8.5362% (0.79  1.00   0.02   0.02) =   0.248%
          QD    LYS+  65 - HA    HIS   22  18.89 +/- 2.47   0.607% *  7.4210% (0.69  1.00   0.02   0.02) =   0.247%
          QD    LYS+  38 - HA    HIS   22  22.38 +/- 0.66   0.172% *  9.4340% (0.87  1.00   0.02   0.02) =   0.089%
          QD    LYS+ 102 - HA    HIS   22  23.59 +/- 1.90   0.138% *  9.8627% (0.91  1.00   0.02   0.02) =   0.075%
          HB3   MET   92 - HA    HIS   22  20.80 +/- 1.43   0.270% *  4.2014% (0.39  1.00   0.02   0.02) =   0.062%
          HB2   LYS+ 121 - HA    HIS   22  26.45 +/- 1.67   0.064% *  7.0200% (0.65  1.00   0.02   0.02) =   0.025%
          HD2   LYS+ 111 - HA    HIS   22  28.47 +/- 3.10   0.064% *  5.3768% (0.50  1.00   0.02   0.02) =   0.019%
          QD    LYS+ 106 - HA    HIS   22  21.53 +/- 1.16   0.217% *  1.5768% (0.15  1.00   0.02   0.02) =   0.019%
          HB2   LEU  123 - HA    HIS   22  29.21 +/- 2.01   0.038% *  8.1833% (0.76  1.00   0.02   0.02) =   0.017%
    Distance limit 3.45 A violated in 20 structures by 4.18 A, eliminated.
    Peak unassigned.
 
    Peak 2376 (8.91, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.387, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    HIS   22  10.37 +/- 0.18  97.695% * 67.5049% (0.39   0.02   0.02) =  98.877%  kept
          HN    LEU   40 - HA    HIS   22  19.45 +/- 0.72   2.305% * 32.4951% (0.19   0.02   0.02) =   1.123%  kept
    Distance limit 3.58 A violated in 20 structures by 6.75 A, eliminated.
    Peak unassigned.
 
    Peak 2377 (0.51, 4.68, 56.96 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2378 (9.20, 4.83, 58.62 ppm):
    1 chemical-shift based assignment, quality = 0.641, support = 5.49, residual support = 26.4:
      O   HN    VAL   24 - HA    THR   23   2.63 +/- 0.20 100.000% *100.0000% (0.64  10.0   5.49  26.37) = 100.000%  kept
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2379 (9.23, 4.81, 31.51 ppm):
    1 chemical-shift based assignment, quality = 0.487, support = 5.47, residual support = 26.4:
          HN    VAL   24 - HB    THR   23   3.15 +/- 0.60 100.000% *100.0000% (0.49   5.47  26.37) = 100.000%  kept
    Distance limit 3.44 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2380 (7.35, 1.28, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.727, support = 4.71, residual support = 19.1:
          HN    THR   23 - QG2   THR   23   3.11 +/- 0.63  92.881% * 62.6486% (0.73   4.74  19.04) =  98.361%  kept
          HD2   HIS   22 - QG2   THR   23   6.04 +/- 0.32   2.723% * 35.5228% (0.76   2.55  21.10) =   1.635%  kept
          HE3   TRP   27 - QG2   THR   23   7.40 +/- 1.34   2.069% *  0.0810% (0.22   0.02   0.94) =   0.003%
          HD1   TRP   49 - QB    ALA   91   8.05 +/- 2.42   1.428% *  0.0343% (0.09   0.02   0.02) =   0.001%
          HN    LEU   67 - QG2   THR   39   9.35 +/- 0.93   0.242% *  0.0803% (0.22   0.02   0.02) =   0.000%
          QE    PHE   95 - QB    ALA   91   9.79 +/- 0.88   0.209% *  0.0263% (0.07   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   23  14.06 +/- 1.33   0.017% *  0.2500% (0.69   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   23  15.29 +/- 2.21   0.012% *  0.3264% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   35 - QG2   THR   39   9.99 +/- 0.82   0.142% *  0.0276% (0.08   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   39  12.30 +/- 1.40   0.047% *  0.0557% (0.15   0.02   0.02) =   0.000%
          HD21  ASN   35 - QG2   THR   23  16.25 +/- 1.40   0.011% *  0.1241% (0.34   0.02   0.02) =   0.000%
          HD2   HIS   22 - QG2   THR   39  13.40 +/- 1.44   0.022% *  0.0619% (0.17   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG2   THR   39  11.71 +/- 1.40   0.062% *  0.0180% (0.05   0.02   0.02) =   0.000%
          HN    LEU   67 - QG2   THR   23  19.12 +/- 0.89   0.002% *  0.3607% (0.99   0.02   0.02) =   0.000%
          HN    THR   23 - QG2   THR   39  14.37 +/- 0.89   0.014% *  0.0588% (0.16   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   91  11.81 +/- 1.66   0.058% *  0.0106% (0.03   0.02   0.02) =   0.000%
          HN    THR   23 - QB    ALA   91  14.86 +/- 1.31   0.013% *  0.0278% (0.08   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    ALA   91  13.04 +/- 1.02   0.032% *  0.0085% (0.02   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   23  19.89 +/- 1.46   0.002% *  0.1012% (0.28   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   39  23.61 +/- 2.50   0.002% *  0.0727% (0.20   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   39  19.58 +/- 2.17   0.006% *  0.0225% (0.06   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    ALA   91  19.78 +/- 1.08   0.002% *  0.0379% (0.10   0.02   0.02) =   0.000%
          HD2   HIS   22 - QB    ALA   91  19.21 +/- 1.40   0.003% *  0.0292% (0.08   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   91  22.12 +/- 1.94   0.001% *  0.0131% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.21 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   2.86 +/- 0.62  99.923% * 91.4937% (0.34   1.84  10.83) =  99.998%  kept
          HG3   MET   96 - HA    VAL   83  12.66 +/- 2.81   0.066% *  2.9232% (1.00   0.02   0.02) =   0.002%
          HG2   GLU-  29 - HA    VAL   83  14.57 +/- 1.33   0.010% *  0.6508% (0.22   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    VAL   83  22.66 +/- 2.32   0.001% *  2.6984% (0.92   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    VAL   83  23.77 +/- 1.22   0.001% *  2.2340% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.98 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   2.25 +/- 0.50  99.963% * 99.6258% (0.98 10.00   2.25  10.83) = 100.000%  kept
          HB2   ASN   28 - HA    VAL   83  11.19 +/- 1.52   0.023% *  0.0912% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    VAL   83  11.98 +/- 0.68   0.011% *  0.0283% (0.28  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    VAL   83  17.48 +/- 1.71   0.001% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    VAL   83  18.50 +/- 2.34   0.001% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    VAL   83  23.42 +/- 1.79   0.000% *  0.0996% (0.98  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 4.7, residual support = 87.3:
      O   HN    VAL   83 - HA    VAL   83   2.79 +/- 0.03  99.993% * 99.7575% (0.57  10.0   4.70  87.28) = 100.000%  kept
          HN    CYS   50 - HA    VAL   83  16.92 +/- 1.91   0.003% *  0.1700% (0.97   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   83  15.65 +/- 1.57   0.004% *  0.0724% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2384 (8.31, 3.81, 65.84 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.25, residual support = 10.8:
          HN    ASP-  86 - HA    VAL   83   3.04 +/- 0.23  99.949% * 97.0740% (0.95   2.25  10.83) = 100.000%  kept
          HN    GLN   30 - HA    VAL   83  13.18 +/- 1.55   0.020% *  0.8941% (0.98   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    VAL   83  12.52 +/- 1.35   0.026% *  0.5164% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    VAL   83  18.67 +/- 2.97   0.003% *  0.4090% (0.45   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    VAL   83  21.23 +/- 4.10   0.002% *  0.4799% (0.53   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    VAL   83  25.69 +/- 2.40   0.000% *  0.6266% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 15.8:
          HD1   TRP   87 - HA    VAL   83   3.80 +/- 0.12  96.969% * 97.6674% (0.73   4.31  15.75) =  99.992%  kept
          HE3   TRP   87 - HA    VAL   83   7.22 +/- 0.57   2.399% *  0.1734% (0.28   0.02  15.75) =   0.004%
          HN    TRP   27 - HA    VAL   83  10.06 +/- 1.21   0.422% *  0.5899% (0.95   0.02   2.11) =   0.003%
          HN    ALA   91 - HA    VAL   83  10.85 +/- 0.57   0.188% *  0.4034% (0.65   0.02   0.02) =   0.001%
          HN    THR   39 - HA    VAL   83  21.10 +/- 1.87   0.004% *  0.4766% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    VAL   83  20.71 +/- 1.50   0.004% *  0.3531% (0.57   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    VAL   83  19.25 +/- 3.52   0.009% *  0.1234% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    VAL   83  20.42 +/- 2.09   0.005% *  0.2127% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2386 (0.57, 3.77, 66.14 ppm):
    9 chemical-shift based assignments, quality = 0.396, support = 1.84, residual support = 8.75:
          QD2   LEU   80 - HA    VAL   24   3.98 +/- 3.05  67.931% * 67.9075% (0.41   1.89   8.79) =  92.377%  kept
          QD1   LEU   80 - HA    VAL   24   5.30 +/- 2.78  13.989% * 25.4791% (0.22   1.31   8.79) =   7.138%  kept
          QD1   LEU   73 - HA    VAL   24   5.25 +/- 0.82  16.824% *  1.3960% (0.80   0.02   0.02) =   0.470%
          QG2   VAL   41 - HA    VAL   24   8.29 +/- 1.13   0.880% *  0.6543% (0.38   0.02   0.02) =   0.012%
          QD2   LEU   98 - HA    VAL   24   9.96 +/- 1.57   0.311% *  0.3881% (0.22   0.02   0.02) =   0.002%
          QD1   LEU   63 - HA    VAL   24  14.67 +/- 1.44   0.029% *  1.3960% (0.80   0.02   0.02) =   0.001%
          QD2   LEU   63 - HA    VAL   24  15.78 +/- 1.31   0.019% *  1.6093% (0.92   0.02   0.02) =   0.001%
          QD1   LEU  104 - HA    VAL   24  16.11 +/- 2.11   0.013% *  0.3881% (0.22   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   24  19.63 +/- 1.09   0.004% *  0.7816% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 4 structures by 0.98 A, kept.
 
    Peak 2387 (2.11, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 66.7:
      O T HB    VAL   24 - HA    VAL   24   2.74 +/- 0.19  99.953% * 98.9275% (1.00  10.0 10.00   3.97  66.65) = 100.000%  kept
          QB    GLN   32 - HA    VAL   24  10.08 +/- 0.46   0.045% *  0.0981% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   68 - HA    VAL   24  22.58 +/- 1.27   0.000% *  0.8581% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    VAL   24  19.44 +/- 1.39   0.001% *  0.0858% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    VAL   24  22.17 +/- 1.89   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    VAL   24  23.57 +/- 1.43   0.000% *  0.0153% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2388 (2.99, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.0, residual support = 23.7:
        T HB3   TRP   27 - HA    VAL   24   3.29 +/- 0.36  99.968% * 99.7179% (1.00 10.00   3.00  23.65) = 100.000%  kept
          HB2   PHE   97 - HA    VAL   24  16.93 +/- 1.40   0.008% *  0.0991% (0.99  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    VAL   24  16.68 +/- 1.96   0.010% *  0.0448% (0.45  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    VAL   24  17.54 +/- 1.77   0.006% *  0.0647% (0.65  1.00   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    VAL   24  17.69 +/- 0.91   0.005% *  0.0486% (0.49  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    VAL   24  19.59 +/- 0.77   0.003% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2389 (9.22, 3.77, 66.14 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.72, residual support = 66.7:
      O   HN    VAL   24 - HA    VAL   24   2.77 +/- 0.04 100.000% *100.0000% (0.97  10.0   4.72  66.65) = 100.000%  kept
    Distance limit 3.40 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 = 0.871, support = 5.66, residual support = 32.1:
      O   HN    GLU-  25 - HA    VAL   24   3.58 +/- 0.02  51.390% * 85.9947% (0.92  10.0   5.66  34.99) =  86.867%  kept
          HN    ASN   28 - HA    VAL   24   3.64 +/- 0.36  48.002% * 13.9172% (0.53   1.0   5.68  13.01) =  13.132%  kept
          HN    ASP-  44 - HA    VAL   24   8.98 +/- 1.33   0.608% *  0.0881% (0.95   1.0   0.02   0.02) =   0.001%
    Distance limit 3.66 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 = 2.99, residual support = 23.7:
          HN    TRP   27 - HA    VAL   24   2.96 +/- 0.14  99.831% * 94.5938% (0.45   2.99  23.65) =  99.998%  kept
          HD1   TRP   87 - HA    VAL   24   9.27 +/- 1.28   0.150% *  1.3968% (0.99   0.02   0.02) =   0.002%
          HN    GLU-  36 - HA    VAL   24  15.36 +/- 0.34   0.005% *  1.2225% (0.87   0.02   0.02) =   0.000%
          HN    THR   39 - HA    VAL   24  16.37 +/- 0.63   0.004% *  1.3814% (0.98   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    VAL   24  17.80 +/- 1.83   0.003% *  0.9681% (0.69   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    VAL   24  15.54 +/- 1.09   0.005% *  0.2468% (0.18   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    VAL   24  19.09 +/- 1.63   0.002% *  0.1907% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2392 (1.11, 2.11, 32.16 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.24, residual support = 66.7:
      O T QG1   VAL   24 - HB    VAL   24   2.11 +/- 0.01  99.982% * 98.9402% (0.98  10.0 10.00   3.24  66.65) = 100.000%  kept
          HB3   LEU   31 - HB    VAL   24  11.41 +/- 0.49   0.004% *  0.0571% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  10.16 +/- 0.51   0.009% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  20.37 +/- 1.36   0.000% *  0.5853% (0.58   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  14.71 +/- 2.51   0.002% *  0.0314% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.01 +/- 1.70   0.001% *  0.0434% (0.43   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.02 +/- 1.70   0.000% *  0.0733% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  15.50 +/- 1.55   0.001% *  0.0081% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  19.16 +/- 1.07   0.000% *  0.0338% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  22.68 +/- 2.97   0.000% *  0.0597% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  27.27 +/- 3.13   0.000% *  0.1009% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  24.08 +/- 1.75   0.000% *  0.0531% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2393 (1.07, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 3.44, residual support = 66.7:
      O   QG2   VAL   24 - HB    VAL   24   2.14 +/- 0.01  99.986% * 99.6470% (1.00  10.0   3.44  66.65) = 100.000%  kept
          HG    LEU   63 - HB2   PRO   68  11.21 +/- 1.92   0.012% *  0.0579% (0.58   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.01 +/- 1.70   0.001% *  0.0132% (0.13   1.0   0.02   0.02) =   0.000%
          HG    LEU   63 - HB    VAL   24  20.87 +/- 1.82   0.000% *  0.0979% (0.98   1.0   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.02 +/- 1.70   0.000% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   PRO   68  21.14 +/- 1.08   0.000% *  0.0589% (0.59   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   PRO   68  23.14 +/- 2.54   0.000% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL   24  26.40 +/- 3.14   0.000% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2394 (0.60, 2.11, 32.16 ppm):
    14 chemical-shift based assignments, quality = 0.823, support = 1.64, residual support = 6.21:
          QD2   LEU   80 - HB    VAL   24   3.79 +/- 3.02  53.582% * 57.7845% (0.80   1.89   8.79) =  66.005%  kept
          QG1   VAL   83 - HB    VAL   24   3.54 +/- 1.43  41.856% * 38.0688% (0.87   1.15   1.19) =  33.968%  kept
          QD1   LEU   73 - HB    VAL   24   7.41 +/- 0.86   2.861% *  0.3131% (0.41   0.02   0.02) =   0.019%
          QG2   ILE   89 - HB    VAL   24   9.68 +/- 1.09   1.204% *  0.1899% (0.25   0.02   0.02) =   0.005%
          QD1   LEU  104 - HB2   PRO   68  11.95 +/- 2.54   0.105% *  0.4348% (0.57   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB2   PRO   68  10.49 +/- 1.75   0.218% *  0.1852% (0.24   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB    VAL   24  16.08 +/- 1.68   0.045% *  0.3131% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   PRO   68  13.72 +/- 0.63   0.060% *  0.1852% (0.24   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   PRO   68  14.82 +/- 2.05   0.032% *  0.3443% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   24  17.61 +/- 2.52   0.012% *  0.7350% (0.97   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   24  20.62 +/- 1.38   0.008% *  0.5821% (0.76   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   PRO   68  20.45 +/- 0.90   0.005% *  0.3908% (0.51   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   PRO   68  20.03 +/- 1.18   0.003% *  0.3608% (0.47   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   PRO   68  21.82 +/- 1.83   0.009% *  0.1123% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 1 structures by 0.24 A, kept.
 
    Peak 2395 (3.77, 2.11, 32.16 ppm):
    6 chemical-shift based assignments, quality = 0.885, support = 3.99, residual support = 66.2:
      O T HA    VAL   24 - HB    VAL   24   2.74 +/- 0.19  88.750% * 89.0301% (0.90  10.0 10.00   3.97  66.65) =  98.557%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.90 +/- 0.09  11.246% * 10.2842% (0.10  10.0  1.00   5.46  35.14) =   1.443%  kept
          HA    LYS+  38 - HB2   PRO   68  15.19 +/- 1.24   0.004% *  0.0527% (0.53   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   24 - HB2   PRO   68  22.58 +/- 1.27   0.000% *  0.5266% (0.53   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  19.80 +/- 0.75   0.001% *  0.0890% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  23.55 +/- 1.30   0.000% *  0.0174% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2396 (2.10, 1.10, 23.10 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.24, residual support = 66.7:
      O T HB    VAL   24 - QG1   VAL   24   2.11 +/- 0.01  99.983% * 98.6521% (0.92  10.0 10.00   3.24  66.65) = 100.000%  kept
          QB    GLN   32 - QG1   VAL   24   9.30 +/- 0.79   0.016% *  0.1031% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   PRO   68 - QG1   VAL   24  20.37 +/- 1.36   0.000% *  1.0592% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QG1   VAL   24  16.91 +/- 1.67   0.000% *  0.0691% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG1   VAL   24  18.13 +/- 1.85   0.000% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG1   VAL   24  17.53 +/- 1.70   0.000% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG1   VAL   24  20.28 +/- 1.68   0.000% *  0.0330% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL   24  22.57 +/- 3.98   0.000% *  0.0238% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2397 (8.80, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.344, support = 5.81, residual support = 32.7:
      O   HN    ASN   69 - HB2   PRO   68   3.45 +/- 0.85  50.984% * 43.7310% (0.20  10.0   5.85  31.55) =  58.042%  kept
          HN    GLU-  25 - HB    VAL   24   3.47 +/- 0.37  46.260% * 33.5730% (0.53   1.0   5.89  34.99) =  40.431%  kept
          HN    ASN   28 - HB    VAL   24   5.59 +/- 0.22   2.637% * 22.2409% (0.92   1.0   2.22  13.01) =   1.527%  kept
          HN    ASP-  44 - HB    VAL   24  10.50 +/- 1.52   0.113% *  0.1227% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HB2   PRO   68  17.09 +/- 0.93   0.004% *  0.0726% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  21.99 +/- 1.16   0.001% *  0.1183% (0.55   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  23.10 +/- 1.01   0.001% *  0.0739% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  25.02 +/- 1.34   0.000% *  0.0675% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2398 (9.23, 2.11, 32.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 4.75, residual support = 66.7:
      O   HN    VAL   24 - HB    VAL   24   2.11 +/- 0.20 100.000% * 99.9409% (0.38  10.0   4.75  66.65) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  24.47 +/- 1.36   0.000% *  0.0591% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2399 (9.23, 1.10, 23.10 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.09, residual support = 66.7:
          HN    VAL   24 - QG1   VAL   24   2.92 +/- 0.56 100.000% *100.0000% (0.73   4.09  66.65) = 100.000%  kept
    Distance limit 3.15 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2400 (8.80, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 6.05, residual support = 127.5:
      O   HN    GLU-  25 - HB2   GLU-  25   2.80 +/- 0.42  98.044% * 99.5455% (0.41  10.0   6.05 127.47) =  99.995%  kept
          HN    ASN   28 - HB2   GLU-  25   5.68 +/- 0.16   1.947% *  0.2373% (0.98   1.0   0.02   2.66) =   0.005%
          HN    ASP-  44 - HB2   GLU-  25  13.99 +/- 1.29   0.009% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   GLU-  25  23.44 +/- 0.94   0.000% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2401 (8.80, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.86, residual support = 127.5:
      O   HN    GLU-  25 - HB3   GLU-  25   2.56 +/- 0.69  98.073% * 99.5455% (0.41  10.0   5.87 127.47) =  99.995%  kept
          HN    ASN   28 - HB3   GLU-  25   5.85 +/- 0.20   1.917% *  0.2373% (0.98   1.0   0.02   2.66) =   0.005%
          HN    ASP-  44 - HB3   GLU-  25  14.25 +/- 1.24   0.009% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   GLU-  25  24.06 +/- 1.01   0.000% *  0.1086% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2402 (8.14, 2.01, 28.95 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 5.26, residual support = 28.9:
          HN    THR   26 - HB3   GLU-  25   3.34 +/- 0.17  99.996% * 98.7461% (0.34   5.26  28.88) = 100.000%  kept
          HN    LEU   71 - HB3   GLU-  25  18.44 +/- 0.76   0.004% *  0.8409% (0.76   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   GLU-  25  30.96 +/- 2.04   0.000% *  0.4130% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2403 (8.06, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.259, support = 2.96, residual support = 2.95:
          HN    SER   85 - HA    SER   82   3.48 +/- 0.19  98.527% * 92.1173% (0.26   2.96   2.95) =  99.986%  kept
          HN    GLN   32 - HA    GLU-  25   9.20 +/- 0.37   0.322% *  2.4019% (1.00   0.02   0.02) =   0.009%
          HN    LEU   80 - HA    SER   82   7.78 +/- 0.40   0.888% *  0.2401% (0.10   0.02   0.22) =   0.002%
          HN    LEU   80 - HA    GLU-  25  10.78 +/- 1.71   0.165% *  0.7413% (0.31   0.02   0.02) =   0.001%
          HN    SER   85 - HA    GLU-  25  13.25 +/- 1.01   0.037% *  1.9233% (0.80   0.02   0.02) =   0.001%
          HN    ALA   34 - HA    GLU-  25  12.58 +/- 0.29   0.047% *  0.9874% (0.41   0.02   0.02) =   0.001%
          HN    GLN   32 - HA    SER   82  17.93 +/- 2.40   0.007% *  0.7781% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   82  20.77 +/- 2.05   0.003% *  0.3199% (0.13   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    SER   82  20.71 +/- 2.38   0.003% *  0.1201% (0.05   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    GLU-  25  24.74 +/- 1.62   0.001% *  0.3706% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2404 (8.80, 4.18, 61.45 ppm):
    8 chemical-shift based assignments, quality = 0.433, support = 5.75, residual support = 122.7:
      O   HN    GLU-  25 - HA    GLU-  25   2.69 +/- 0.01  89.586% * 74.0329% (0.41  10.0   5.87 127.47) =  96.152%  kept
          HN    ASN   28 - HA    GLU-  25   3.86 +/- 0.13  10.340% * 25.6722% (0.98   1.0   2.91   2.66) =   3.848%  kept
          HN    GLU-  25 - HA    SER   82   9.79 +/- 1.38   0.050% *  0.0240% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HA    SER   82  12.33 +/- 1.97   0.013% *  0.0572% (0.32   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    GLU-  25  13.58 +/- 1.24   0.007% *  0.0807% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    SER   82  15.09 +/- 1.17   0.003% *  0.0262% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    GLU-  25  23.30 +/- 0.91   0.000% *  0.0807% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    SER   82  29.01 +/- 1.15   0.000% *  0.0262% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 0.31, support = 4.21, residual support = 8.69:
          HN    ALA   84 - HA    SER   82   4.16 +/- 0.18  64.573% * 54.7153% (0.20   5.35  11.02) =  72.219%  kept
          HD21  ASN   28 - HA    GLU-  25   4.64 +/- 0.11  33.910% * 40.0664% (0.61   1.27   2.66) =  27.772%  kept
          HZ2   TRP   87 - HA    GLU-  25  10.81 +/- 1.86   0.399% *  0.4282% (0.41   0.02   0.02) =   0.003%
          HN    ALA   84 - HA    GLU-  25  11.90 +/- 1.07   0.129% *  0.6318% (0.61   0.02   0.02) =   0.002%
          HD21  ASN   28 - HA    SER   82  11.18 +/- 2.52   0.360% *  0.2047% (0.20   0.02   0.02) =   0.002%
          HZ2   TRP   87 - HA    SER   82   9.79 +/- 0.88   0.457% *  0.1387% (0.13   0.02   0.02) =   0.001%
          HE21  GLN   32 - HA    GLU-  25  11.93 +/- 1.27   0.158% *  0.2319% (0.22   0.02   0.02) =   0.001%
          HN    LEU   63 - HA    GLU-  25  23.98 +/- 1.05   0.002% *  1.0324% (0.99   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    GLU-  25  25.86 +/- 1.42   0.001% *  0.9854% (0.95   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    SER   82  23.38 +/- 2.03   0.003% *  0.3192% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    GLU-  25  27.87 +/- 2.36   0.001% *  0.6318% (0.61   0.02   0.02) =   0.000%
          HN    LEU   63 - HA    SER   82  25.78 +/- 1.43   0.001% *  0.3344% (0.32   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    SER   82  24.53 +/- 2.45   0.002% *  0.2047% (0.20   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    SER   82  21.31 +/- 2.74   0.005% *  0.0751% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2406 (2.92, 4.18, 61.45 ppm):
    16 chemical-shift based assignments, quality = 0.979, support = 0.75, residual support = 2.62:
          HB2   ASN   28 - HA    GLU-  25   3.51 +/- 0.41  93.256% * 72.2537% (0.99   0.75   2.66) =  98.423%  kept
          HB2   ASP-  86 - HA    SER   82   5.85 +/- 0.74   6.179% * 17.3822% (0.24   0.76   0.02) =   1.569%  kept
          QE    LYS+  33 - HA    GLU-  25  11.42 +/- 1.67   0.122% *  1.9397% (1.00   0.02   0.02) =   0.003%
          HB2   ASP-  86 - HA    GLU-  25  11.62 +/- 1.06   0.114% *  1.4116% (0.73   0.02   0.02) =   0.002%
          HB2   ASN   28 - HA    SER   82  13.06 +/- 2.11   0.052% *  0.6242% (0.32   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    SER   82  11.75 +/- 0.53   0.085% *  0.3819% (0.20   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    GLU-  25  13.23 +/- 1.62   0.045% *  0.3847% (0.20   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    GLU-  25  14.38 +/- 0.66   0.023% *  0.7296% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  25  16.00 +/- 0.97   0.012% *  1.1791% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    SER   82  11.67 +/- 0.79   0.102% *  0.1246% (0.06   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  25  23.80 +/- 2.34   0.001% *  1.7945% (0.92   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    SER   82  20.01 +/- 1.83   0.004% *  0.6283% (0.32   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    SER   82  21.89 +/- 2.60   0.002% *  0.2363% (0.12   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    SER   82  26.46 +/- 2.02   0.001% *  0.5813% (0.30   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  25  22.92 +/- 1.05   0.001% *  0.2631% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    SER   82  29.46 +/- 1.43   0.000% *  0.0852% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2407 (1.36, 4.18, 61.45 ppm):
    32 chemical-shift based assignments, quality = 0.321, support = 2.84, residual support = 11.0:
          QB    ALA   84 - HA    SER   82   4.54 +/- 0.29  76.291% * 79.3145% (0.32   2.84  11.02) =  99.859%  kept
          HB3   LEU   80 - HA    SER   82   6.01 +/- 0.77  19.564% *  0.2740% (0.16   0.02   0.22) =   0.088%
          HB3   LEU   80 - HA    GLU-  25   9.58 +/- 2.12   1.452% *  0.8459% (0.49   0.02   0.02) =   0.020%
          HB2   LEU   31 - HA    GLU-  25   8.91 +/- 0.32   1.354% *  0.5928% (0.34   0.02   0.02) =   0.013%
          QB    ALA   84 - HA    GLU-  25  11.85 +/- 0.79   0.249% *  1.7224% (0.99   0.02   0.02) =   0.007%
          HB3   LEU   73 - HA    GLU-  25  10.95 +/- 0.68   0.412% *  0.7144% (0.41   0.02   0.02) =   0.005%
          HG3   LYS+  33 - HA    GLU-  25  12.58 +/- 1.84   0.259% *  0.4832% (0.28   0.02   0.02) =   0.002%
          HB3   ASP-  44 - HA    GLU-  25  16.25 +/- 2.02   0.069% *  1.2619% (0.73   0.02   0.02) =   0.001%
          HG    LEU   98 - HA    GLU-  25  16.33 +/- 1.00   0.038% *  1.6438% (0.95   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    GLU-  25  16.26 +/- 1.06   0.040% *  0.5928% (0.34   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  25  21.13 +/- 1.85   0.009% *  1.7339% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    SER   82  16.64 +/- 1.34   0.039% *  0.4088% (0.24   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    SER   82  15.22 +/- 1.37   0.063% *  0.2314% (0.13   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    SER   82  18.37 +/- 1.75   0.024% *  0.5617% (0.32   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    SER   82  19.25 +/- 3.25   0.019% *  0.5325% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    SER   82  16.21 +/- 2.49   0.049% *  0.1920% (0.11   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    GLU-  25  22.10 +/- 1.32   0.006% *  1.1242% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    GLU-  25  21.88 +/- 2.34   0.008% *  0.7791% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU-  25  22.54 +/- 1.40   0.006% *  1.0540% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    SER   82  21.50 +/- 2.90   0.010% *  0.3642% (0.21   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU-  25  27.45 +/- 3.08   0.002% *  1.5074% (0.87   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    SER   82  20.28 +/- 1.34   0.011% *  0.1920% (0.11   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    GLU-  25  25.70 +/- 2.01   0.002% *  0.5928% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    SER   82  24.33 +/- 4.16   0.005% *  0.2524% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    SER   82  21.70 +/- 2.15   0.008% *  0.1565% (0.09   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    SER   82  24.46 +/- 2.01   0.004% *  0.3414% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  25  31.39 +/- 2.24   0.001% *  0.9143% (0.53   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    SER   82  30.27 +/- 2.63   0.001% *  0.4883% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU-  25  30.08 +/- 2.71   0.001% *  0.4832% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    SER   82  28.88 +/- 2.04   0.001% *  0.2962% (0.17   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    SER   82  26.37 +/- 2.50   0.002% *  0.1565% (0.09   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    SER   82  28.83 +/- 1.68   0.001% *  0.1920% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 14 structures by 1.01 A, kept.
 
    Peak 2408 (1.04, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.612, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HA    GLU-  25  19.17 +/- 2.08  17.662% * 22.9376% (0.92   0.02   0.02) =  37.047%  kept
          QG2   VAL  108 - HA    SER   82  16.56 +/- 2.55  43.933% *  7.4304% (0.30   0.02   0.02) =  29.851%  kept
          HB2   LEU  104 - HA    GLU-  25  22.14 +/- 1.62   7.637% * 19.8967% (0.80   0.02   0.02) =  13.894%  kept
          QD1   ILE  119 - HA    GLU-  25  22.78 +/- 1.26   6.444% * 12.0948% (0.49   0.02   0.02) =   7.127%  kept
          HB2   LEU  104 - HA    SER   82  24.14 +/- 3.12   5.539% *  6.4453% (0.26   0.02   0.02) =   3.265%  kept
          HG    LEU   63 - HA    GLU-  25  23.25 +/- 1.54   5.863% *  5.5320% (0.22   0.02   0.02) =   2.966%  kept
          HG3   LYS+ 112 - HA    GLU-  25  30.34 +/- 3.03   1.641% * 15.0711% (0.61   0.02   0.02) =   2.261%  kept
          QD1   ILE  119 - HA    SER   82  22.98 +/- 1.34   5.680% *  3.9180% (0.16   0.02   0.02) =   2.035%  kept
          HG3   LYS+ 112 - HA    SER   82  27.87 +/- 2.81   2.250% *  4.8821% (0.20   0.02   0.02) =   1.004%  kept
          HG    LEU   63 - HA    SER   82  25.05 +/- 1.57   3.353% *  1.7920% (0.07   0.02   0.02) =   0.549%  kept
    Distance limit 3.90 A violated in 20 structures by 10.14 A, eliminated.
    Peak unassigned.
 
    Peak 2409 (2.22, 4.15, 66.74 ppm):
    9 chemical-shift based assignments, quality = 0.251, support = 2.02, residual support = 10.4:
          HB2   GLU-  29 - HA    THR   26   2.68 +/- 0.41  91.914% * 14.2837% (0.22   1.01   1.40) =  67.084%  kept
          HB2   GLU-  25 - HA    THR   26   4.26 +/- 0.38   8.069% * 79.8338% (0.31   4.07  28.88) =  32.915%  kept
          HB3   ASP-  76 - HA    THR   26  13.64 +/- 1.11   0.007% *  1.1387% (0.90   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    THR   26  15.49 +/- 0.85   0.003% *  1.1387% (0.90   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    THR   26  14.78 +/- 1.59   0.004% *  0.5220% (0.41   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    THR   26  19.66 +/- 1.59   0.001% *  1.2011% (0.95   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    THR   26  17.67 +/- 1.01   0.001% *  0.6180% (0.49   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    THR   26  23.81 +/- 1.24   0.000% *  0.8722% (0.69   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    THR   26  25.03 +/- 1.09   0.000% *  0.3919% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2410 (8.14, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.65, residual support = 35.4:
      O   HN    THR   26 - HA    THR   26   2.87 +/- 0.02  99.993% * 99.6670% (0.34  10.0   4.65  35.45) = 100.000%  kept
          HN    LEU   71 - HA    THR   26  14.46 +/- 0.80   0.007% *  0.2233% (0.76   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    THR   26  29.80 +/- 1.68   0.000% *  0.1097% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2411 (8.32, 4.15, 66.74 ppm):
    6 chemical-shift based assignments, quality = 0.497, support = 1.32, residual support = 3.51:
          HN    GLN   30 - HA    THR   26   4.08 +/- 0.28  22.848% * 78.8541% (0.69   1.55   4.97) =  59.017%  kept
          HN    GLU-  29 - HA    THR   26   3.29 +/- 0.17  77.134% * 16.2192% (0.22   0.98   1.40) =  40.982%  kept
          HN    GLU-  14 - HA    THR   26  16.55 +/- 2.67   0.007% *  1.4551% (0.98   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   26  15.72 +/- 0.99   0.007% *  0.9004% (0.61   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   26  18.73 +/- 0.95   0.002% *  1.2399% (0.84   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   26  21.96 +/- 3.33   0.001% *  1.3313% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 0.501, support = 2.12, residual support = 10.4:
          HN    THR   23 - HB    THR   26   3.83 +/- 0.08  54.573% * 73.1657% (0.38   2.59  13.05) =  79.530%  kept
          HD2   HIS   22 - HB    THR   26   4.24 +/- 1.26  45.396% * 22.6380% (0.99   0.30   0.11) =  20.469%  kept
          HD21  ASN   35 - HB    THR   26  15.94 +/- 0.90   0.011% *  1.0356% (0.69   0.02   0.02) =   0.000%
          QE    PHE   95 - HB    THR   26  15.60 +/- 1.40   0.013% *  0.5143% (0.34   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB    THR   26  20.80 +/- 2.36   0.003% *  1.4943% (0.99   0.02   0.02) =   0.000%
          HN    LEU   67 - HB    THR   26  19.54 +/- 1.06   0.003% *  1.1522% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2413 (7.74, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.48, residual support = 22.7:
          HN    TRP   27 - HB    THR   26   2.96 +/- 0.12  99.966% * 98.0956% (0.84   4.48  22.70) = 100.000%  kept
          HD1   TRP   87 - HB    THR   26  13.87 +/- 1.75   0.013% *  0.4548% (0.87   0.02   0.02) =   0.000%
          HN    THR   39 - HB    THR   26  15.98 +/- 0.60   0.004% *  0.4702% (0.90   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB    THR   26  14.88 +/- 0.45   0.006% *  0.2552% (0.49   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    THR   26  16.46 +/- 2.32   0.007% *  0.0918% (0.18   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   26  19.39 +/- 1.44   0.001% *  0.2552% (0.49   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    THR   26  19.22 +/- 1.82   0.001% *  0.2155% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB    THR   26  20.31 +/- 1.72   0.001% *  0.1618% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2414 (8.13, 4.23, 69.37 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.16, residual support = 35.4:
      O   HN    THR   26 - HB    THR   26   2.15 +/- 0.12  99.998% * 99.9615% (0.80  10.0   4.16  35.45) = 100.000%  kept
          HN    LEU   71 - HB    THR   26  14.28 +/- 0.83   0.002% *  0.0385% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.301, support = 0.696, residual support = 2.25:
          HA    CYS   21 - QG2   THR   26   2.22 +/- 1.19  92.820% * 24.5313% (0.18   0.75   2.74) =  81.844%  kept
          HA    ALA   20 - QG2   THR   26   5.29 +/- 0.27   6.896% * 73.2177% (0.87   0.45   0.02) =  18.150%  kept
          HA    LEU   71 - QG2   THR   26   8.93 +/- 0.82   0.276% *  0.5763% (0.15   0.02   0.02) =   0.006%
          HA    LYS+ 102 - QG2   THR   26  16.90 +/- 1.41   0.008% *  1.6747% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 1 structures by 0.14 A, kept.
 
    Peak 2416 (2.07, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.892, support = 0.02, residual support = 0.02:
          HB2   GLU-  14 - QG2   THR   26  10.69 +/- 1.70  63.729% * 18.7520% (0.92   0.02   0.02) =  70.956%  kept
          HG2   MET   11 - QG2   THR   26  15.32 +/- 3.91  16.306% * 19.2160% (0.95   0.02   0.02) =  18.605%  kept
          HB2   PRO   93 - QG2   THR   26  15.80 +/- 1.41   6.865% * 12.3210% (0.61   0.02   0.02) =   5.022%  kept
          HG2   PRO   58 - QG2   THR   26  20.24 +/- 1.18   1.618% * 17.6208% (0.87   0.02   0.02) =   1.693%  kept
          HG3   PRO   52 - QG2   THR   26  21.23 +/- 1.82   1.174% * 17.6208% (0.87   0.02   0.02) =   1.228%  kept
          HB2   PRO   68 - QG2   THR   26  16.15 +/- 1.34   6.216% *  3.1343% (0.15   0.02   0.02) =   1.157%  kept
          HB    VAL  108 - QG2   THR   26  19.33 +/- 1.27   2.565% *  5.0653% (0.25   0.02   0.02) =   0.772%  kept
          HB2   ARG+  54 - QG2   THR   26  20.70 +/- 2.49   1.527% *  6.2698% (0.31   0.02   0.02) =   0.568%  kept
    Distance limit 3.40 A violated in 20 structures by 6.31 A, eliminated.
    Peak unassigned.
 
    Peak 2417 (2.73, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 0.75, residual support = 4.97:
        T HG2   GLN   30 - QG2   THR   26   2.51 +/- 0.61  99.614% * 99.5048% (0.99 10.00   0.75   4.97) =  99.999%  kept
          HB3   ASN   28 - QG2   THR   26   7.30 +/- 0.16   0.383% *  0.2584% (0.97  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 121 - QG2   THR   26  20.02 +/- 2.15   0.001% *  0.1624% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   HIS  122 - QG2   THR   26  18.52 +/- 2.27   0.002% *  0.0744% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2419 (0.58, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.982, support = 4.11, residual support = 22.4:
          QD1   LEU   73 - HB3   TRP   27   2.84 +/- 0.88  81.019% * 62.6652% (1.00   4.23  23.98) =  91.650%  kept
          QD2   LEU   80 - HB3   TRP   27   5.60 +/- 3.05  13.111% * 34.3350% (0.80   2.89   5.37) =   8.126%  kept
          QG1   VAL   83 - HB3   TRP   27   5.72 +/- 1.68   5.837% *  2.1203% (0.18   0.82   2.11) =   0.223%
          QD1   LEU   63 - HB3   TRP   27  12.79 +/- 1.37   0.011% *  0.2964% (1.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   TRP   27  14.12 +/- 2.03   0.014% *  0.1678% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   TRP   27  13.71 +/- 1.43   0.007% *  0.1678% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   TRP   27  18.12 +/- 1.07   0.001% *  0.2476% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2420 (3.78, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.0, residual support = 23.7:
        T HA    VAL   24 - HB3   TRP   27   3.29 +/- 0.36  99.456% * 98.5200% (0.76 10.00   3.00  23.65) = 100.000%  kept
        T HA    LYS+  38 - HB3   TRP   27  15.14 +/- 1.03   0.016% *  1.2636% (0.98 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   TRP   27   9.33 +/- 1.82   0.511% *  0.0174% (0.14  1.00   0.02   2.11) =   0.000%
        T HA    GLU- 100 - HB3   TRP   27  15.50 +/- 1.66   0.017% *  0.1989% (0.15 10.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2421 (3.77, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.0, residual support = 23.7:
          HA    VAL   24 - HB2   TRP   27   1.92 +/- 0.26  99.999% * 99.1878% (0.97   3.00  23.65) = 100.000%  kept
          HA    LYS+  38 - HB2   TRP   27  15.89 +/- 0.71   0.001% *  0.5487% (0.80   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB2   TRP   27  19.72 +/- 1.22   0.000% *  0.1709% (0.25   0.02   0.02) =   0.000%
          HA    ALA   61 - HB2   TRP   27  17.97 +/- 2.07   0.000% *  0.0927% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 0.907, support = 3.69, residual support = 18.5:
          QD1   LEU   73 - HB2   TRP   27   3.99 +/- 0.78  52.048% * 57.1249% (0.90   4.23  23.98) =  71.106%  kept
          QD2   LEU   80 - HB2   TRP   27   5.10 +/- 2.94  30.469% * 36.5732% (0.98   2.48   5.37) =  26.650%  kept
          QG1   VAL   83 - HB2   TRP   27   5.11 +/- 1.45  17.406% *  5.3878% (0.38   0.95   2.11) =   2.243%  kept
          QD1   LEU  104 - HB2   TRP   27  15.03 +/- 1.96   0.035% *  0.2518% (0.84   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB2   TRP   27  13.95 +/- 1.35   0.024% *  0.2704% (0.90   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   TRP   27  14.91 +/- 1.37   0.015% *  0.0931% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   TRP   27  19.18 +/- 1.09   0.003% *  0.2988% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2423 (0.01, 4.13, 56.27 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 3.15, residual support = 17.1:
          QD1   LEU   31 - HA    ASN   28   3.12 +/- 0.72 100.000% *100.0000% (0.76   3.15  17.10) = 100.000%  kept
    Distance limit 3.65 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2424 (4.03, 2.16, 36.74 ppm):
    8 chemical-shift based assignments, quality = 0.223, support = 5.33, residual support = 94.7:
      O T HA    GLU-  29 - HG3   GLU-  29   3.61 +/- 0.17  99.577% * 97.0747% (0.22  10.0 10.00   5.33  94.66) =  99.995%  kept
        T HA    LYS+  33 - HG3   GLU-  29   9.90 +/- 0.83   0.324% *  1.4873% (0.34   1.0 10.00   0.02   0.02) =   0.005%
          HB2   SER   37 - HG3   GLU-  29  15.20 +/- 1.03   0.023% *  0.4208% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLU-  29  13.39 +/- 1.71   0.047% *  0.0673% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   GLU-  29  17.80 +/- 1.41   0.010% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   GLU-  29  16.54 +/- 1.15   0.015% *  0.0863% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLU-  29  21.43 +/- 1.51   0.003% *  0.2995% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   GLU-  29  30.72 +/- 1.65   0.000% *  0.2821% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2425 (7.19, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.65, residual support = 107.8:
      O   HD1   TRP   27 - HB2   TRP   27   3.37 +/- 0.46  98.321% * 99.7286% (0.98  10.0   3.65 107.84) =  99.998%  kept
          HE21  GLN   30 - HB2   TRP   27   8.01 +/- 1.22   1.667% *  0.0939% (0.92   1.0   0.02   0.02) =   0.002%
          QD    PHE   59 - HB2   TRP   27  17.13 +/- 1.69   0.009% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   TRP   27  20.95 +/- 3.16   0.003% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2426 (7.74, 3.56, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.44, residual support = 107.8:
      O   HN    TRP   27 - HB2   TRP   27   2.25 +/- 0.17  99.966% * 99.5184% (0.76  10.0   5.44 107.84) = 100.000%  kept
          HD1   TRP   87 - HB2   TRP   27  10.04 +/- 1.45   0.020% *  0.1202% (0.92   1.0   0.02   2.64) =   0.000%
          HN    THR   39 - HB2   TRP   27  14.65 +/- 0.63   0.002% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   TRP   27  13.75 +/- 0.49   0.002% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   TRP   27  12.05 +/- 1.78   0.008% *  0.0176% (0.14   1.0   0.02   2.64) =   0.000%
          HN    LYS+ 102 - HB2   TRP   27  16.53 +/- 1.91   0.001% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   TRP   27  16.39 +/- 1.31   0.001% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   27  18.52 +/- 1.73   0.000% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2427 (8.81, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.59, residual support = 50.5:
          HN    ASN   28 - HB2   TRP   27   2.79 +/- 0.24  94.974% * 99.5642% (0.92   5.59  50.50) =  99.997%  kept
          HN    GLU-  25 - HB2   TRP   27   4.78 +/- 0.22   4.257% *  0.0595% (0.15   0.02   0.36) =   0.003%
          HN    ASP-  44 - HB2   TRP   27   8.50 +/- 1.26   0.767% *  0.0675% (0.18   0.02   0.02) =   0.001%
          HN    ASN   69 - HB2   TRP   27  19.09 +/- 0.98   0.001% *  0.3088% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2428 (7.33, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.5, residual support = 107.8:
      O   HE3   TRP   27 - HB3   TRP   27   2.87 +/- 0.31  97.082% * 99.4719% (0.76  10.0   4.50 107.84) =  99.996%  kept
          HN    THR   23 - HB3   TRP   27   5.96 +/- 1.12   2.679% *  0.1276% (0.98   1.0   0.02   0.94) =   0.004%
          HD2   HIS   22 - HB3   TRP   27   8.79 +/- 1.19   0.213% *  0.0290% (0.22   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   TRP   27  12.63 +/- 1.47   0.021% *  0.1290% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   27  17.48 +/- 1.12   0.002% *  0.0894% (0.69   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   TRP   27  19.34 +/- 2.18   0.002% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   TRP   27  21.43 +/- 1.26   0.001% *  0.1087% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2429 (7.19, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.08, residual support = 107.8:
      O   HD1   TRP   27 - HB3   TRP   27   3.65 +/- 0.17  95.523% * 99.7286% (0.98  10.0   4.08 107.84) =  99.996%  kept
          HE21  GLN   30 - HB3   TRP   27   6.90 +/- 1.11   4.450% *  0.0939% (0.92   1.0   0.02   0.02) =   0.004%
          QD    PHE   59 - HB3   TRP   27  15.96 +/- 1.67   0.017% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB3   TRP   27  20.71 +/- 3.45   0.011% *  0.0778% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2430 (7.74, 2.99, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.64, residual support = 107.8:
      O   HN    TRP   27 - HB3   TRP   27   2.99 +/- 0.36  99.787% * 99.5184% (0.76  10.0   5.64 107.84) = 100.000%  kept
          HD1   TRP   87 - HB3   TRP   27  10.36 +/- 1.63   0.102% *  0.1202% (0.92   1.0   0.02   2.64) =   0.000%
          HN    THR   39 - HB3   TRP   27  13.74 +/- 0.92   0.018% *  0.1232% (0.95   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   TRP   27  13.35 +/- 0.83   0.022% *  0.0737% (0.57   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   TRP   27  12.31 +/- 1.87   0.048% *  0.0176% (0.14   1.0   0.02   2.64) =   0.000%
          HN    LYS+ 102 - HB3   TRP   27  15.84 +/- 2.11   0.014% *  0.0489% (0.38   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   TRP   27  16.33 +/- 1.49   0.005% *  0.0535% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB3   TRP   27  17.18 +/- 1.69   0.004% *  0.0444% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2431 (8.82, 2.99, 30.32 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 6.07, residual support = 50.5:
          HN    ASN   28 - HB3   TRP   27   3.94 +/- 0.33  99.985% * 99.4979% (0.65   6.07  50.50) = 100.000%  kept
          HN    ASN   69 - HB3   TRP   27  17.66 +/- 1.05   0.015% *  0.5021% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.31 A, kept.
 
    Peak 2432 (7.88, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.223, support = 3.69, residual support = 17.1:
          HN    LEU   31 - HA    ASN   28   3.36 +/- 0.18  99.912% * 95.2649% (0.22   3.69  17.10) =  99.999%  kept
          HN    LYS+  38 - HA    ASN   28  12.67 +/- 0.21   0.037% *  2.2753% (0.98   0.02   0.02) =   0.001%
          HN    SER   37 - HA    ASN   28  12.04 +/- 0.19   0.050% *  0.4065% (0.18   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ASN   28  25.25 +/- 1.33   0.001% *  1.4079% (0.61   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ASN   28  22.65 +/- 1.10   0.001% *  0.6454% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 4.63, residual support = 8.34:
          HN    GLN   30 - HA    ASN   28   3.93 +/- 0.15  99.093% * 93.6731% (0.18   4.63   8.35) =  99.994%  kept
          HN    ASN   35 - HA    ASN   28   8.78 +/- 0.25   0.831% *  0.5142% (0.22   0.02   0.02) =   0.005%
          HN    LYS+  99 - HA    ASN   28  14.06 +/- 1.01   0.056% *  2.1321% (0.92   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    ASN   28  19.45 +/- 3.61   0.011% *  2.0035% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASN   28  19.63 +/- 2.45   0.008% *  1.6772% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2434 (8.82, 2.93, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 7.05, residual support = 106.2:
      O   HN    ASN   28 - HB2   ASN   28   2.55 +/- 0.18  99.983% * 99.7686% (0.65  10.0   7.05 106.18) = 100.000%  kept
          HN    ASN   28 - HB2   ASN   35  11.39 +/- 0.77   0.015% *  0.0310% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   35  17.04 +/- 1.00   0.001% *  0.0476% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   28  21.49 +/- 0.87   0.000% *  0.1529% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2435 (6.96, 2.73, 38.30 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.18, residual support = 106.2:
      O   HD22  ASN   28 - HB3   ASN   28   3.73 +/- 0.47  99.986% * 99.9746% (0.98  10.0   4.18 106.18) = 100.000%  kept
          QE    PHE   72 - HB3   ASN   28  17.01 +/- 0.73   0.014% *  0.0254% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2436 (7.62, 2.73, 38.30 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.5, residual support = 106.2:
      O   HD21  ASN   28 - HB3   ASN   28   3.59 +/- 0.25  99.488% * 99.7595% (0.87  10.0   3.50 106.18) =  99.999%  kept
          HZ2   TRP   87 - HB3   ASN   28  10.07 +/- 2.04   0.499% *  0.1127% (0.98   1.0   0.02   0.02) =   0.001%
          QE    PHE   60 - HB3   ASN   28  17.33 +/- 1.59   0.010% *  0.0790% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HB3   ASN   28  23.64 +/- 0.90   0.001% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HB3   ASN   28  26.68 +/- 1.14   0.001% *  0.0201% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2437 (8.31, 2.73, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.489, support = 5.52, residual support = 33.4:
          HN    GLU-  29 - HB3   ASN   28   3.36 +/- 0.21  92.084% * 46.9850% (0.45   5.75  35.78) =  91.360%  kept
          HN    GLN   30 - HB3   ASN   28   5.07 +/- 0.14   7.874% * 51.9651% (0.92   3.09   8.35) =   8.640%  kept
          HN    ASP-  86 - HB3   ASN   28  13.63 +/- 1.86   0.030% *  0.3161% (0.87   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASN   28  16.14 +/- 0.94   0.008% *  0.2063% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASN   28  21.06 +/- 2.55   0.002% *  0.2918% (0.80   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASN   28  21.91 +/- 3.63   0.002% *  0.2357% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2438 (8.81, 2.73, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.61, residual support = 106.2:
      O   HN    ASN   28 - HB3   ASN   28   3.54 +/- 0.01  98.246% * 99.8777% (0.92  10.0   6.61 106.18) = 100.000%  kept
          HN    GLU-  25 - HB3   ASN   28   7.00 +/- 0.35   1.713% *  0.0167% (0.15   1.0   0.02   2.66) =   0.000%
          HN    ASP-  44 - HB3   ASN   28  13.67 +/- 1.23   0.038% *  0.0189% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   ASN   28  21.63 +/- 0.86   0.002% *  0.0866% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2439 (8.33, 2.93, 38.30 ppm):
    10 chemical-shift based assignments, quality = 0.372, support = 0.0198, residual support = 8.24:
          HN    GLN   30 - HB2   ASN   28   4.47 +/- 0.04  97.691% *  7.8959% (0.38   0.02   8.35) =  98.700%  kept
          HN    LYS+  99 - HB2   ASN   35  10.59 +/- 0.93   0.642% *  6.5298% (0.31   0.02   0.02) =   0.536%  kept
          HN    GLN   30 - HB2   ASN   35   9.22 +/- 0.66   1.396% *  2.4562% (0.12   0.02   0.02) =   0.439%
          HN    ASP-  86 - HB2   ASN   28  13.60 +/- 1.49   0.149% *  6.4934% (0.31   0.02   0.02) =   0.124%
          HN    LYS+  99 - HB2   ASN   28  17.04 +/- 0.97   0.034% * 20.9915% (1.00   0.02   0.02) =   0.093%
          HN    GLU-  14 - HB2   ASN   28  20.19 +/- 2.56   0.015% * 19.9013% (0.95   0.02   0.02) =   0.038%
          HE1   HIS  122 - HB2   ASN   35  18.81 +/- 4.12   0.033% *  6.5298% (0.31   0.02   0.02) =   0.028%
          HE1   HIS  122 - HB2   ASN   28  22.10 +/- 3.55   0.010% * 20.9915% (1.00   0.02   0.02) =   0.026%
          HN    GLU-  14 - HB2   ASN   35  19.85 +/- 2.80   0.018% *  6.1907% (0.29   0.02   0.02) =   0.014%
          HN    ASP-  86 - HB2   ASN   35  20.74 +/- 2.48   0.012% *  2.0199% (0.10   0.02   0.02) =   0.003%
    Distance limit 3.17 A violated in 20 structures by 1.29 A, eliminated.
    Peak unassigned.
 
    Peak 2440 (7.62, 2.93, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 3.78, residual support = 106.2:
      O   HD21  ASN   28 - HB2   ASN   28   3.42 +/- 0.49  99.549% * 99.5979% (0.61  10.0   3.78 106.18) = 100.000%  kept
          HZ2   TRP   87 - HB2   ASN   28  10.34 +/- 1.81   0.311% *  0.1315% (0.80   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   ASN   35  11.57 +/- 1.00   0.081% *  0.0310% (0.19   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HB2   ASN   28  16.77 +/- 1.55   0.013% *  0.1516% (0.92   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASN   35  14.75 +/- 2.78   0.038% *  0.0409% (0.25   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HB2   ASN   35  18.60 +/- 2.15   0.008% *  0.0472% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2441 (8.33, 4.00, 59.66 ppm):
    15 chemical-shift based assignments, quality = 0.486, support = 5.45, residual support = 19.6:
      O   HN    GLN   30 - HA    GLU-  29   3.51 +/- 0.01  96.819% * 98.9280% (0.49  10.0   5.45  19.58) =  99.999%  kept
          HN    GLN   30 - HA    GLN   32   6.67 +/- 0.16   2.065% *  0.0222% (0.11   1.0   0.02   1.61) =   0.000%
          HN    GLN   30 - HA    LYS+  33   7.57 +/- 0.26   0.976% *  0.0271% (0.13   1.0   0.02   0.17) =   0.000%
          HN    LYS+  99 - HA    GLN   32  12.84 +/- 0.81   0.044% *  0.0439% (0.22   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  16.59 +/- 0.88   0.009% *  0.1961% (0.96   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  18.14 +/- 2.96   0.008% *  0.2014% (0.99   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  15.52 +/- 3.13   0.025% *  0.0552% (0.27   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  14.09 +/- 0.65   0.024% *  0.0538% (0.26   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  17.29 +/- 1.50   0.008% *  0.0836% (0.41   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  22.06 +/- 3.53   0.002% *  0.2014% (0.99   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  19.92 +/- 3.55   0.004% *  0.0552% (0.27   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  19.19 +/- 2.96   0.005% *  0.0451% (0.22   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  20.17 +/- 3.86   0.004% *  0.0451% (0.22   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  19.27 +/- 2.43   0.005% *  0.0187% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  22.45 +/- 1.99   0.002% *  0.0229% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.38 A, kept.
 
    Peak 2442 (8.31, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.472, support = 5.45, residual support = 85.2:
      O   HN    GLU-  29 - HB2   GLU-  29   2.44 +/- 0.26  82.017% * 60.1784% (0.41  10.0   5.37  94.66) =  87.452%  kept
          HN    GLN   30 - HB2   GLU-  29   3.23 +/- 0.22  17.980% * 39.3878% (0.90   1.0   6.00  19.58) =  12.548%  kept
          HN    GLU-  14 - HB2   GLU-  29  16.60 +/- 2.81   0.001% *  0.1223% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLU-  29  17.11 +/- 1.38   0.001% *  0.1223% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  29  18.03 +/- 0.87   0.001% *  0.0888% (0.61   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  29  22.23 +/- 3.44   0.000% *  0.1005% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2443 (8.31, 2.15, 30.32 ppm):
    12 chemical-shift based assignments, quality = 0.495, support = 5.31, residual support = 81.7:
      O   HN    GLU-  29 - HB3   GLU-  29   3.44 +/- 0.33  70.117% * 66.3584% (0.41  10.0   5.47  94.66) =  82.726%  kept
          HN    GLN   30 - HB3   GLU-  29   4.00 +/- 0.20  29.485% * 32.9495% (0.90   1.0   4.55  19.58) =  17.273%  kept
          HN    GLN   30 - QB    GLU-  36   9.04 +/- 0.35   0.227% *  0.0448% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  36  10.23 +/- 0.46   0.110% *  0.0206% (0.13   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   GLU-  29  16.69 +/- 3.04   0.009% *  0.1348% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    GLU-  36  13.22 +/- 0.53   0.023% *  0.0303% (0.19   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    GLU-  36  15.38 +/- 2.88   0.016% *  0.0418% (0.26   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  29  18.36 +/- 1.09   0.003% *  0.1348% (0.84   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  29  18.23 +/- 0.80   0.003% *  0.0979% (0.61   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    GLU-  36  19.10 +/- 3.18   0.004% *  0.0343% (0.21   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  29  22.81 +/- 3.34   0.001% *  0.1109% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    GLU-  36  21.91 +/- 1.94   0.001% *  0.0418% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2444 (2.44, 2.15, 30.32 ppm):
    16 chemical-shift based assignments, quality = 0.906, support = 4.37, residual support = 93.9:
      O T HG2   GLU-  29 - HB3   GLU-  29   2.88 +/- 0.08  30.054% * 95.1378% (0.99  10.0 10.00   4.38  94.66) =  91.042%  kept
      O T HG2   GLU-  36 - QB    GLU-  36   2.50 +/- 0.06  69.905% *  4.0244% (0.04  10.0 10.00   4.28  86.68) =   8.958%  kept
        T HG2   GLU-  29 - QB    GLU-  36   9.72 +/- 0.98   0.025% *  0.2947% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T HG2   GLU-  36 - HB3   GLU-  29  10.75 +/- 1.09   0.013% *  0.1299% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB3   GLU-  29  16.86 +/- 1.41   0.001% *  0.0951% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB3   GLU-  29  19.70 +/- 1.20   0.000% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - HB3   GLU-  29  18.71 +/- 1.11   0.000% *  0.0267% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    GLU-  36  19.95 +/- 2.30   0.000% *  0.0295% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    GLU-  36  17.55 +/- 1.05   0.001% *  0.0083% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   GLU-  29  26.11 +/- 0.95   0.000% *  0.0659% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLU-  36  21.80 +/- 1.13   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB3   GLU-  29  28.50 +/- 3.07   0.000% *  0.0543% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    GLU-  36  23.86 +/- 0.85   0.000% *  0.0204% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  29  24.72 +/- 0.94   0.000% *  0.0190% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLU-  36  26.91 +/- 2.55   0.000% *  0.0168% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLU-  36  23.00 +/- 0.74   0.000% *  0.0059% (0.06   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2445 (1.62, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 0.17, residual support = 0.17:
          QD    LYS+  33 - HA    GLN   30   3.93 +/- 0.98  99.885% * 72.3190% (0.95   0.17   0.17) =  99.994%  kept
          HD2   LYS+  74 - HA    GLN   30  14.26 +/- 0.89   0.093% *  3.3781% (0.38   0.02   0.02) =   0.004%
          QB    ALA   57 - HA    GLN   30  19.81 +/- 1.63   0.017% *  6.1826% (0.69   0.02   0.02) =   0.001%
          HB3   LEU  123 - HA    GLN   30  26.04 +/- 3.07   0.003% *  8.5143% (0.95   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    GLN   30  30.61 +/- 2.45   0.001% *  6.5358% (0.73   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   30  27.48 +/- 2.90   0.001% *  3.0702% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 6 structures by 0.51 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2446 (0.83, 3.84, 58.37 ppm):
    5 chemical-shift based assignments, quality = 0.174, support = 0.0199, residual support = 0.0199:
          QD1   LEU   71 - HA    GLN   30   5.84 +/- 2.35  98.113% *  8.2693% (0.15   0.02   0.02) =  94.989%  kept
          HB3   LEU  104 - HA    GLN   30  18.91 +/- 1.22   0.903% * 22.0331% (0.41   0.02   0.02) =   2.331%  kept
          QD2   LEU  123 - HA    GLN   30  22.09 +/- 2.33   0.350% * 48.0646% (0.90   0.02   0.02) =   1.968%  kept
          QD1   LEU  123 - HA    GLN   30  20.46 +/- 2.01   0.467% *  8.2693% (0.15   0.02   0.02) =   0.452%
          HG3   LYS+ 121 - HA    GLN   30  23.75 +/- 2.81   0.167% * 13.3638% (0.25   0.02   0.02) =   0.261%
    Distance limit 3.94 A violated in 13 structures by 1.96 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2447 (8.31, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 6.34, residual support = 156.0:
      O   HN    GLN   30 - HA    GLN   30   2.83 +/- 0.01  97.421% * 99.6773% (0.98  10.0   6.34 156.00) =  99.998%  kept
          HN    GLU-  29 - HA    GLN   30   5.20 +/- 0.06   2.559% *  0.0576% (0.57   1.0   0.02  19.58) =   0.002%
          HN    GLU-  14 - HA    GLN   30  13.98 +/- 2.84   0.012% *  0.0699% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   30  14.59 +/- 0.77   0.006% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   30  18.45 +/- 1.58   0.001% *  0.0962% (0.95   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   30  18.67 +/- 3.33   0.002% *  0.0535% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 6.44, residual support = 156.0:
      O   HN    GLN   30 - HB2   GLN   30   2.98 +/- 0.63  97.615% * 99.6773% (0.98  10.0   6.44 156.00) =  99.999%  kept
          HN    GLU-  29 - HB2   GLN   30   5.58 +/- 0.75   2.322% *  0.0576% (0.57   1.0   0.02  19.58) =   0.001%
          HN    GLU-  14 - HB2   GLN   30  14.21 +/- 2.69   0.027% *  0.0699% (0.69   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLN   30  13.37 +/- 0.81   0.022% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLN   30  16.69 +/- 1.73   0.006% *  0.0962% (0.95   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLN   30  16.77 +/- 3.21   0.009% *  0.0535% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2449 (8.32, 1.89, 28.09 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.66, residual support = 156.0:
      O   HN    GLN   30 - HB3   GLN   30   2.60 +/- 0.58  98.251% * 99.4549% (0.65  10.0   6.66 156.00) =  99.999%  kept
          HN    GLU-  29 - HB3   GLN   30   5.15 +/- 0.66   1.714% *  0.0304% (0.20   1.0   0.02  19.58) =   0.001%
          HN    GLU-  14 - HB3   GLN   30  14.54 +/- 2.39   0.013% *  0.1524% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLN   30  13.65 +/- 0.96   0.013% *  0.1334% (0.87   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLN   30  17.10 +/- 3.43   0.005% *  0.1419% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLN   30  16.19 +/- 1.80   0.003% *  0.0870% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2450 (8.32, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.642, support = 7.11, residual support = 154.5:
          HN    GLN   30 - HG2   GLN   30   3.46 +/- 0.26  94.435% * 82.6081% (0.65   7.14 156.00) =  98.874%  kept
          HN    GLU-  29 - HG2   GLN   30   5.57 +/- 0.35   5.482% * 16.1939% (0.20   4.57  19.58) =   1.125%  kept
          HN    GLU-  14 - HG2   GLN   30  13.28 +/- 2.41   0.049% *  0.3547% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   GLN   30  15.47 +/- 1.16   0.016% *  0.3104% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   GLN   30  18.02 +/- 3.32   0.010% *  0.3303% (0.92   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG2   GLN   30  17.00 +/- 1.48   0.008% *  0.2026% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2451 (7.19, 2.73, 33.78 ppm):
    4 chemical-shift based assignments, quality = 0.868, support = 4.04, residual support = 155.0:
      O   HE21  GLN   30 - HG2   GLN   30   3.64 +/- 0.42  86.694% * 95.8073% (0.87  10.0   4.06 156.00) =  99.363%  kept
          HD1   TRP   27 - HG2   GLN   30   5.69 +/- 1.50  13.280% *  4.0066% (1.00   1.0   0.73   0.02) =   0.637%  kept
          HH2   TRP   49 - HG2   GLN   30  24.48 +/- 3.82   0.017% *  0.0759% (0.69   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HG2   GLN   30  17.48 +/- 1.63   0.009% *  0.1102% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2452 (7.19, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 2.86, residual support = 156.0:
      O   HE21  GLN   30 - HG3   GLN   30   4.05 +/- 0.20  82.283% * 99.5784% (0.87  10.0   2.86 156.00) =  99.986%  kept
          HD1   TRP   27 - HG3   GLN   30   6.54 +/- 1.44   9.144% *  0.1145% (1.00   1.0   0.02   0.02) =   0.013%
          QD    PHE   59 - HB2   PRO   93   7.95 +/- 2.29   6.949% *  0.0089% (0.08   1.0   0.02   0.02) =   0.001%
          QD    PHE   59 - HB2   LYS+ 111   8.88 +/- 1.40   1.123% *  0.0230% (0.20   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   PRO   93  10.58 +/- 2.45   0.398% *  0.0061% (0.05   1.0   0.02   0.02) =   0.000%
          QD    PHE   59 - HG3   GLN   30  18.28 +/- 1.77   0.012% *  0.1145% (1.00   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG3   GLN   30  25.77 +/- 3.92   0.016% *  0.0789% (0.69   1.0   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   LYS+ 111  16.23 +/- 2.75   0.029% *  0.0158% (0.14   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   PRO   93  16.37 +/- 1.75   0.026% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   PRO   93  17.84 +/- 1.92   0.016% *  0.0078% (0.07   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 111  24.57 +/- 2.14   0.002% *  0.0230% (0.20   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   LYS+ 111  25.31 +/- 2.58   0.002% *  0.0200% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.36 A, kept.
 
    Peak 2453 (8.32, 2.03, 33.78 ppm):
    18 chemical-shift based assignments, quality = 0.643, support = 6.16, residual support = 154.9:
          HN    GLN   30 - HG3   GLN   30   3.37 +/- 0.40  95.152% * 84.2155% (0.65   6.18 156.00) =  99.205%  kept
          HN    GLU-  29 - HG3   GLN   30   5.57 +/- 0.53   4.622% * 13.8829% (0.20   3.33  19.58) =   0.794%  kept
          HN    GLU-  14 - HG3   GLN   30  13.11 +/- 2.62   0.077% *  0.4172% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   GLN   30  15.42 +/- 1.36   0.016% *  0.3652% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   LYS+ 111  15.92 +/- 2.66   0.047% *  0.0781% (0.19   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   GLN   30  18.45 +/- 3.30   0.006% *  0.3886% (0.92   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   GLN   30  17.97 +/- 1.55   0.006% *  0.2383% (0.57   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   PRO   93  15.46 +/- 2.93   0.031% *  0.0303% (0.07   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   PRO   93  15.48 +/- 1.67   0.028% *  0.0186% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   LYS+ 111  21.41 +/- 2.26   0.002% *  0.0734% (0.17   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   PRO   93  19.55 +/- 0.82   0.003% *  0.0285% (0.07   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   PRO   93  20.12 +/- 1.71   0.004% *  0.0212% (0.05   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   LYS+ 111  23.52 +/- 2.39   0.001% *  0.0479% (0.11   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   PRO   93  24.19 +/- 1.79   0.001% *  0.0325% (0.08   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   LYS+ 111  28.12 +/- 2.37   0.000% *  0.0547% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+ 111  30.85 +/- 2.23   0.000% *  0.0839% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   PRO   93  21.23 +/- 1.76   0.003% *  0.0065% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   LYS+ 111  29.61 +/- 2.45   0.000% *  0.0167% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2454 (0.81, 1.89, 28.09 ppm):
    5 chemical-shift based assignments, quality = 0.186, support = 4.15, residual support = 35.7:
          HG    LEU   31 - HB3   GLN   30   4.72 +/- 0.72  29.641% * 74.0038% (0.15  1.00   5.83  50.79) =  66.967%  kept
          QD2   LEU   73 - HB3   GLN   30   3.85 +/- 0.93  70.348% * 15.3801% (0.25  1.00   0.75   5.24) =  33.031%  kept
        T QD1   ILE   56 - HB3   GLN   30  18.00 +/- 1.68   0.006% *  8.0061% (0.49 10.00   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HB3   GLN   30  22.15 +/- 2.64   0.002% *  1.6122% (0.98  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - HB3   GLN   30  21.07 +/- 2.24   0.003% *  0.9976% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2455 (0.59, 1.89, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.24, residual support = 5.24:
          QD1   LEU   73 - HB3   GLN   30   2.85 +/- 0.61  99.300% * 96.9568% (0.87   3.24   5.24) =  99.996%  kept
          QD2   LEU   80 - HB3   GLN   30   9.04 +/- 2.63   0.325% *  0.6835% (0.99   0.02   0.02) =   0.002%
          QG1   VAL   83 - HB3   GLN   30   9.16 +/- 1.59   0.303% *  0.2835% (0.41   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB3   GLN   30  13.28 +/- 1.00   0.024% *  0.5982% (0.87   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   GLN   30  13.37 +/- 1.38   0.024% *  0.5982% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   GLN   30  13.62 +/- 1.29   0.021% *  0.1917% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   GLN   30  19.21 +/- 0.94   0.002% *  0.6881% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2456 (0.82, 2.04, 28.09 ppm):
    3 chemical-shift based assignments, quality = 0.73, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HB2   GLN   30  20.78 +/- 2.23  26.099% * 54.6388% (0.97   0.02   0.02) =  55.197%  kept
          HG3   LYS+ 121 - HB2   GLN   30  21.88 +/- 2.74  18.355% * 36.6255% (0.65   0.02   0.02) =  26.022%  kept
          QD1   ILE   56 - HB2   GLN   30  17.90 +/- 1.76  55.545% *  8.7356% (0.15   0.02   0.02) =  18.781%  kept
    Distance limit 3.44 A violated in 20 structures by 12.67 A, eliminated.
    Peak unassigned.
 
    Peak 2457 (0.59, 2.04, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 1.6, residual support = 5.24:
          QD1   LEU   73 - HB2   GLN   30   2.90 +/- 0.63  99.422% * 94.0191% (0.87   1.60   5.24) =  99.994%  kept
          QD2   LEU   80 - HB2   GLN   30   9.38 +/- 2.80   0.287% *  1.3433% (0.99   0.02   0.02) =   0.004%
          QG1   VAL   83 - HB2   GLN   30   9.57 +/- 1.58   0.202% *  0.5572% (0.41   0.02   0.02) =   0.001%
          QD1   LEU   63 - HB2   GLN   30  13.05 +/- 1.20   0.032% *  1.1756% (0.87   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   GLN   30  13.13 +/- 1.37   0.031% *  1.1756% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   GLN   30  13.32 +/- 1.66   0.025% *  0.3768% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   GLN   30  19.06 +/- 1.18   0.003% *  1.3523% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2458 (3.85, 2.03, 33.78 ppm):
    27 chemical-shift based assignments, quality = 0.647, support = 4.76, residual support = 156.0:
      O T HA    GLN   30 - HG3   GLN   30   2.34 +/- 0.47  97.299% * 98.6729% (0.65  10.0 10.00   4.76 156.00) = 100.000%  kept
          HB    THR   39 - HG3   GLN   30   8.91 +/- 1.03   0.067% *  0.1166% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HB2   PRO   93   9.51 +/- 2.97   0.080% *  0.0863% (0.06   1.0 10.00   0.02   0.34) =   0.000%
          HB2   CYS   53 - HB2   PRO   93   6.00 +/- 2.48   1.896% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   LYS+ 111   8.69 +/- 2.36   0.518% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HG3   GLN   30   9.53 +/- 1.03   0.033% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   GLN   30  13.19 +/- 3.16   0.013% *  0.1221% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   GLN   30  15.48 +/- 1.83   0.003% *  0.1512% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   PRO   93  10.28 +/- 0.97   0.034% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   PRO   93  11.76 +/- 2.17   0.041% *  0.0030% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   LYS+ 111  14.46 +/- 2.95   0.005% *  0.0223% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HG3   GLN   30  20.80 +/- 2.55   0.001% *  0.0925% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   LYS+ 111  13.84 +/- 1.81   0.006% *  0.0076% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   LYS+ 111  17.03 +/- 2.02   0.002% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   PRO   93  21.15 +/- 1.69   0.000% *  0.0769% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   LYS+ 111  28.68 +/- 2.31   0.000% *  0.1983% (0.13   1.0 10.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   PRO   93  17.61 +/- 2.48   0.001% *  0.0118% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   GLN   30  22.55 +/- 1.74   0.000% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   GLN   30  26.94 +/- 2.16   0.000% *  0.1108% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLN   30  22.50 +/- 1.65   0.000% *  0.0380% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   PRO   93  21.45 +/- 1.54   0.000% *  0.0091% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   LYS+ 111  26.81 +/- 2.71   0.000% *  0.0304% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   LYS+ 111  26.36 +/- 1.92   0.000% *  0.0234% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   PRO   93  23.52 +/- 1.69   0.000% *  0.0095% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   LYS+ 111  29.53 +/- 2.02   0.000% *  0.0245% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   LYS+ 111  30.16 +/- 1.99   0.000% *  0.0186% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   PRO   93  24.99 +/- 1.60   0.000% *  0.0072% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2459 (6.74, 0.00, 23.44 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.89, residual support = 9.63:
          HZ2   TRP   27 - QD1   LEU   31   4.23 +/- 1.94  98.902% * 99.8117% (0.87   1.89   9.63) =  99.998%  kept
          HZ    PHE   72 - QD1   LEU   31  12.95 +/- 0.91   1.098% *  0.1883% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.88 A violated in 5 structures by 0.90 A, kept.
 
    Peak 2460 (7.60, 0.00, 23.44 ppm):
    7 chemical-shift based assignments, quality = 0.881, support = 0.755, residual support = 13.0:
          HD21  ASN   28 - QD1   LEU   31   4.24 +/- 0.40  69.313% * 53.1363% (0.92   0.76  17.10) =  73.625%  kept
          HZ2   TRP   87 - QD1   LEU   31   6.04 +/- 2.45  30.276% * 43.5719% (0.76   0.75   1.64) =  26.371%  kept
          HN    ALA   84 - QD1   LEU   31  11.56 +/- 1.84   0.181% *  0.4227% (0.28   0.02   0.02) =   0.002%
          QE    PHE   60 - QD1   LEU   31  11.77 +/- 1.59   0.189% *  0.3009% (0.20   0.02   0.02) =   0.001%
          HN    LEU   63 - QD1   LEU   31  15.89 +/- 0.70   0.024% *  1.1619% (0.76   0.02   0.02) =   0.001%
          HN    ILE   56 - QD1   LEU   31  18.92 +/- 1.13   0.008% *  0.9835% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   31  19.19 +/- 1.78   0.008% *  0.4227% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2461 (7.82, 0.00, 23.44 ppm):
    3 chemical-shift based assignments, quality = 0.756, support = 0.02, residual support = 0.02:
          HN    ALA   88 - QD1   LEU   31  12.36 +/- 1.80  41.153% * 52.6698% (0.97   0.02   0.02) =  66.075%  kept
          HN    ASP- 105 - QD1   LEU   31  11.43 +/- 1.15  57.128% * 18.6164% (0.34   0.02   0.02) =  32.420%  kept
          HN    PHE   55 - QD1   LEU   31  20.34 +/- 1.16   1.719% * 28.7138% (0.53   0.02   0.02) =   1.504%  kept
    Distance limit 4.18 A violated in 20 structures by 6.02 A, eliminated.
    Peak unassigned.
 
    Peak 2462 (7.86, 0.79, 27.16 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 7.54, residual support = 231.8:
          HN    LEU   31 - HG    LEU   31   2.73 +/- 0.55  99.935% * 99.1238% (0.67   7.54 231.79) = 100.000%  kept
          HN    LYS+  38 - HG    LEU   31  10.82 +/- 0.50   0.063% *  0.2036% (0.52   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG    LEU   31  20.58 +/- 1.05   0.001% *  0.2822% (0.72   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG    LEU   31  24.06 +/- 1.13   0.000% *  0.3119% (0.79   0.02   0.02) =   0.000%
          HN    PHE   55 - HG    LEU   31  24.62 +/- 1.13   0.000% *  0.0785% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2463 (7.88, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.16, residual support = 231.8:
      O   HN    LEU   31 - HB3   LEU   31   3.53 +/- 0.01  99.571% * 99.3670% (0.34  10.0   7.16 231.79) =  99.999%  kept
          HN    LYS+  38 - HB3   LEU   31   8.79 +/- 0.33   0.426% *  0.2907% (1.00   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HB3   LEU   31  21.74 +/- 1.06   0.002% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB3   LEU   31  25.95 +/- 1.47   0.001% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2464 (8.07, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.768, support = 5.69, residual support = 43.3:
          HN    GLN   32 - HB3   LEU   31   3.82 +/- 0.14  82.304% * 78.7999% (0.76   5.93  45.48) =  94.674%  kept
          HN    ALA   34 - HB3   LEU   31   4.99 +/- 0.22  17.670% * 20.6480% (0.84   1.42   5.14) =   5.326%  kept
          HN    LEU   80 - HB3   LEU   31  16.93 +/- 1.95   0.013% *  0.2524% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   LEU   31  17.65 +/- 2.30   0.011% *  0.1305% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   LEU   31  25.02 +/- 1.37   0.001% *  0.1692% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2465 (4.14, 1.33, 40.94 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 2.55, residual support = 17.1:
        T HA    ASN   28 - HB2   LEU   31   3.19 +/- 0.28  98.659% * 98.0556% (0.73 10.00   2.55  17.10) =  99.992%  kept
        T HA    ALA   34 - HB2   LEU   31   7.68 +/- 0.16   0.579% *  1.2110% (0.90 10.00   0.02   5.14) =   0.007%
          HA1   GLY  101 - HB2   LEU   31   9.71 +/- 2.38   0.435% *  0.1338% (0.99  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - HB2   LEU   31   8.33 +/- 0.34   0.324% *  0.1032% (0.76  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - HB2   LEU   31  25.38 +/- 3.91   0.001% *  0.2084% (0.15 10.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   LEU   31  22.96 +/- 0.76   0.001% *  0.1032% (0.76  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   LEU   31  26.03 +/- 1.18   0.000% *  0.1338% (0.99  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   LEU   31  25.95 +/- 1.70   0.000% *  0.0301% (0.22  1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   LEU   31  23.86 +/- 1.34   0.001% *  0.0208% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 7.16, residual support = 231.8:
      O   HN    LEU   31 - HB2   LEU   31   2.50 +/- 0.14  99.969% * 99.3670% (0.34  10.0   7.16 231.79) = 100.000%  kept
          HN    LYS+  38 - HB2   LEU   31   9.76 +/- 0.25   0.031% *  0.2907% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   LEU   31  22.37 +/- 1.00   0.000% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   LEU   31  26.18 +/- 1.25   0.000% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2468 (8.07, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.765, support = 5.91, residual support = 45.3:
          HN    GLN   32 - HB2   LEU   31   2.79 +/- 0.18  97.905% * 78.7990% (0.76   5.93  45.48) =  99.444%  kept
          HN    ALA   34 - HB2   LEU   31   5.35 +/- 0.14   2.089% * 20.6489% (0.84   1.42   5.14) =   0.556%  kept
          HN    LEU   80 - HB2   LEU   31  16.05 +/- 1.88   0.004% *  0.2524% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   LEU   31  17.02 +/- 2.14   0.002% *  0.1305% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   LEU   31  25.25 +/- 1.18   0.000% *  0.1692% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 7.16, residual support = 231.8:
      O   HN    LEU   31 - HA    LEU   31   2.76 +/- 0.03  99.776% * 99.3670% (0.34  10.0   7.16 231.79) =  99.999%  kept
          HN    LYS+  38 - HA    LEU   31   7.67 +/- 0.22   0.224% *  0.2907% (1.00   1.0   0.02   0.02) =   0.001%
          HN    ASP-  62 - HA    LEU   31  20.30 +/- 1.02   0.001% *  0.1198% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU   31  25.36 +/- 1.41   0.000% *  0.2226% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2470 (8.07, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.779, support = 5.07, residual support = 36.8:
      O   HN    GLN   32 - HA    LEU   31   3.59 +/- 0.03  27.465% * 90.4454% (0.76  10.0   5.93  45.48) =  78.524%  kept
          HN    ALA   34 - HA    LEU   31   3.05 +/- 0.15  72.531% *  9.3666% (0.84   1.0   1.90   5.14) =  21.476%  kept
          HN    LEU   80 - HA    LEU   31  16.95 +/- 1.68   0.003% *  0.0859% (0.73   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LEU   31  18.67 +/- 1.91   0.002% *  0.0444% (0.38   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    LEU   31  24.62 +/- 1.27   0.000% *  0.0576% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2471 (0.60, 3.61, 58.19 ppm):
    7 chemical-shift based assignments, quality = 0.486, support = 1.22, residual support = 3.32:
          QD1   LEU   73 - HA    LEU   31   4.63 +/- 0.75  96.582% * 87.6996% (0.49   1.22   3.33) =  99.903%  kept
          QG1   VAL   83 - HA    LEU   31  10.48 +/- 1.86   1.372% *  2.3567% (0.80   0.02   0.02) =   0.038%
          QD1   LEU  104 - HA    LEU   31  11.10 +/- 1.06   0.867% *  2.9172% (0.99   0.02   0.02) =   0.030%
          QD2   LEU   80 - HA    LEU   31  11.44 +/- 2.89   0.779% *  2.5530% (0.87   0.02   0.02) =   0.023%
          QD1   LEU   63 - HA    LEU   31  13.40 +/- 0.96   0.250% *  1.4326% (0.49   0.02   0.02) =   0.004%
          QG2   ILE   89 - HA    LEU   31  15.35 +/- 1.42   0.123% *  0.5825% (0.20   0.02   0.02) =   0.001%
          QD2   LEU  115 - HA    LEU   31  19.38 +/- 1.02   0.027% *  2.4584% (0.84   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 9 structures by 0.89 A, kept.
 
    Peak 2472 (7.73, 0.08, 62.25 ppm):
    7 chemical-shift based assignments, quality = 0.526, support = 3.1, residual support = 15.8:
          HD1   TRP   87 - QG2   VAL   83   2.24 +/- 0.44  99.420% * 95.5317% (0.53   3.10  15.75) =  99.996%  kept
          HE3   TRP   87 - QG2   VAL   83   6.18 +/- 0.49   0.366% *  0.5255% (0.45   0.02  15.75) =   0.002%
          HN    TRP   27 - QG2   VAL   83   7.89 +/- 0.91   0.113% *  1.1722% (1.00   0.02   2.11) =   0.001%
          HN    ALA   91 - QG2   VAL   83   7.67 +/- 0.60   0.096% *  0.9791% (0.84   0.02   0.02) =   0.001%
          HN    ALA   61 - QG2   VAL   83  14.68 +/- 1.24   0.003% *  0.8958% (0.76   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   VAL   83  16.82 +/- 1.20   0.001% *  0.6637% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   VAL   83  16.83 +/- 1.38   0.001% *  0.2320% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2473 (6.72, 0.08, 62.25 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - QG2   VAL   83  15.37 +/- 1.12 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.11 A violated in 20 structures by 12.26 A, eliminated.
    Peak unassigned.
 
    Peak 2474 (7.17, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.529, support = 0.02, residual support = 0.02:
          QD    PHE   59 - QG2   VAL   42   7.11 +/- 1.29  54.815% * 17.5479% (0.39   0.02   0.02) =  43.655%  kept
          HE21  GLN   30 - QG2   VAL   42   7.97 +/- 1.07  31.124% * 30.1124% (0.67   0.02   0.02) =  42.536%  kept
          HD1   TRP   27 - QG2   VAL   42   9.77 +/- 1.11  10.727% * 17.5479% (0.39   0.02   0.02) =   8.543%  kept
          HH2   TRP   49 - QG2   VAL   42  17.34 +/- 3.31   3.335% * 34.7918% (0.77   0.02   0.02) =   5.266%  kept
    Distance limit 3.29 A violated in 20 structures by 2.87 A, eliminated.
    Peak unassigned.
 
    Peak 2475 (0.98, 0.15, 20.83 ppm):
    8 chemical-shift based assignments, quality = 0.79, support = 0.326, residual support = 1.22:
          QD2   LEU   40 - QG2   VAL   42   3.20 +/- 1.12  67.051% * 65.1582% (0.79  1.00   0.34   1.25) =  97.212%  kept
          QD1   LEU   67 - QG2   VAL   42   4.92 +/- 1.99  26.064% *  3.9118% (0.80  1.00   0.02   0.02) =   2.269%  kept
        T HB    VAL   75 - QG2   VAL   42   9.66 +/- 0.88   0.489% * 19.0830% (0.39 10.00   0.02   0.02) =   0.208%
          QD2   LEU   71 - QG2   VAL   42   6.04 +/- 0.68   3.887% *  1.9083% (0.39  1.00   0.02   5.44) =   0.165%
          QG2   ILE  103 - QG2   VAL   42   6.92 +/- 0.91   1.033% *  3.8858% (0.79  1.00   0.02   0.02) =   0.089%
          HG3   LYS+  74 - QG2   VAL   42  10.17 +/- 1.20   0.334% *  3.7086% (0.76  1.00   0.02   0.02) =   0.028%
          QD1   ILE  103 - QG2   VAL   42   7.88 +/- 0.83   0.546% *  1.4714% (0.30  1.00   0.02   0.02) =   0.018%
          QG2   ILE  119 - QG2   VAL   42   8.15 +/- 1.27   0.596% *  0.8728% (0.18  1.00   0.02   0.02) =   0.012%
    Distance limit 3.02 A violated in 1 structures by 0.30 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2476 (6.75, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.829, support = 3.36, residual support = 9.79:
        T HZ2   TRP   27 - QD2   LEU   31   4.79 +/- 1.25  17.673% * 95.6407% (0.99 10.00   3.79   9.63) =  82.486%  kept
        T HZ2   TRP   27 - QG2   VAL   43   3.20 +/- 0.63  82.327% *  4.3593% (0.07 10.00   1.35  10.54) =  17.514%  kept
    Distance limit 3.27 A violated in 1 structures by 0.11 A, kept.
 
    Peak 2477 (6.64, 0.07, 21.81 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.2, residual support = 50.8:
          HE22  GLN   30 - QD2   LEU   31   4.02 +/- 0.19  94.438% * 99.1216% (0.90   3.20  50.79) =  99.997%  kept
          HE22  GLN   30 - QG2   VAL   43   7.29 +/- 1.37   5.252% *  0.0419% (0.06   0.02   0.02) =   0.002%
          HD22  ASN   69 - QD2   LEU   31  12.40 +/- 1.31   0.150% *  0.4470% (0.65   0.02   0.02) =   0.001%
          HN    TRP   49 - QD2   LEU   31  18.36 +/- 1.37   0.012% *  0.3364% (0.49   0.02   0.02) =   0.000%
          HN    TRP   49 - QG2   VAL   43  13.30 +/- 0.99   0.087% *  0.0228% (0.03   0.02   0.02) =   0.000%
          HD22  ASN   69 - QG2   VAL   43  14.09 +/- 1.23   0.062% *  0.0303% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.28 A, kept.
 
    Peak 2478 (4.68, 0.06, 21.48 ppm):
    6 chemical-shift based assignments, quality = 0.499, support = 3.0, residual support = 61.3:
      O T HA    VAL   43 - QG2   VAL   43   2.33 +/- 0.26  99.198% * 99.3737% (0.50  10.0 10.00   3.00  61.34) =  99.998%  kept
        T HA    VAL   43 - QD2   LEU   31   5.72 +/- 0.68   0.758% *  0.2851% (0.14   1.0 10.00   0.02   0.02) =   0.002%
          HA    HIS   22 - QG2   VAL   43  10.19 +/- 0.95   0.018% *  0.1356% (0.68   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS   22 - QD2   LEU   31  10.26 +/- 0.28   0.016% *  0.0389% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QG2   VAL   43  13.98 +/- 0.77   0.002% *  0.1295% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   69 - QD2   LEU   31  11.87 +/- 1.16   0.008% *  0.0371% (0.19   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2479 (6.34, 0.06, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.377, support = 1.96, residual support = 10.2:
          HZ3   TRP   27 - QG2   VAL   43   3.08 +/- 0.87  79.582% * 33.0180% (0.50  1.00   2.18  10.54) =  65.769%  kept
        T HZ3   TRP   27 - QD2   LEU   31   5.26 +/- 1.74  20.418% * 66.9820% (0.14 10.00   1.54   9.63) =  34.231%  kept
    Distance limit 2.96 A violated in 1 structures by 0.20 A, kept.
 
    Peak 2480 (8.05, 2.39, 33.78 ppm):
    5 chemical-shift based assignments, quality = 0.914, support = 4.16, residual support = 43.6:
          HN    GLN   32 - QG    GLN   32   3.50 +/- 0.59  92.753% * 85.2316% (0.92   4.17  44.21) =  98.718%  kept
          HN    ALA   34 - QG    GLN   32   5.67 +/- 0.28   7.234% * 14.1958% (0.22   2.88   0.11) =   1.282%  kept
          HN    SER   85 - QG    GLN   32  19.37 +/- 2.13   0.005% *  0.4269% (0.97   0.02   0.02) =   0.000%
          HN    LEU   80 - QG    GLN   32  18.29 +/- 1.88   0.006% *  0.0683% (0.15   0.02   0.02) =   0.000%
          HN    THR   94 - QG    GLN   32  20.89 +/- 1.34   0.002% *  0.0775% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2481 (8.05, 2.11, 27.95 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 4.17, residual support = 44.2:
      O   HN    GLN   32 - QB    GLN   32   2.14 +/- 0.11  99.239% * 99.8359% (0.92  10.0   4.17  44.21) = 100.000%  kept
          HN    ALA   34 - QB    GLN   32   4.86 +/- 0.10   0.760% *  0.0241% (0.22   1.0   0.02   0.11) =   0.000%
          HN    SER   85 - QB    GLN   32  18.45 +/- 1.89   0.000% *  0.1044% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    GLN   32  16.89 +/- 1.62   0.000% *  0.0167% (0.15   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    GLN   32  19.83 +/- 0.80   0.000% *  0.0189% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 0.219, support = 5.75, residual support = 66.9:
      O   HN    GLU-  29 - HA    GLU-  29   2.74 +/- 0.03  80.827% * 27.4129% (0.14  10.0   5.92  94.66) =  62.974%  kept
      O   HN    GLN   30 - HA    GLU-  29   3.51 +/- 0.01  18.316% * 71.1184% (0.36  10.0   5.45  19.58) =  37.023%  kept
          HN    GLN   30 - HA    GLN   32   6.67 +/- 0.16   0.392% *  0.1093% (0.55   1.0   0.02   1.61) =   0.001%
          HN    GLN   30 - HA    LYS+  33   7.57 +/- 0.26   0.185% *  0.1125% (0.57   1.0   0.02   0.17) =   0.001%
          HN    GLU-  29 - HA    GLN   32   7.51 +/- 0.24   0.196% *  0.0421% (0.21   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    LYS+  33   9.20 +/- 0.39   0.058% *  0.0433% (0.22   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   32  12.84 +/- 0.81   0.008% *  0.0991% (0.50   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  15.52 +/- 3.13   0.005% *  0.1296% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  14.09 +/- 0.65   0.005% *  0.1020% (0.51   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  19.19 +/- 2.96   0.001% *  0.1260% (0.63   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  18.14 +/- 2.96   0.001% *  0.0820% (0.41   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  16.59 +/- 0.88   0.002% *  0.0645% (0.32   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  19.92 +/- 3.55   0.001% *  0.1125% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  17.29 +/- 1.50   0.001% *  0.0645% (0.32   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  20.17 +/- 3.86   0.001% *  0.1093% (0.55   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  19.27 +/- 2.43   0.001% *  0.0991% (0.50   1.0   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  22.45 +/- 1.99   0.000% *  0.1020% (0.51   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  22.06 +/- 3.53   0.000% *  0.0711% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2485 (8.04, 4.00, 59.42 ppm):
    12 chemical-shift based assignments, quality = 0.388, support = 4.12, residual support = 44.1:
      O   HN    GLN   32 - HA    GLN   32   2.74 +/- 0.03  81.133% * 98.5542% (0.39  10.0   4.13  44.21) =  99.866%  kept
          HN    GLN   32 - HA    GLU-  29   3.56 +/- 0.13  17.223% *  0.6147% (0.25   1.0   0.19   0.02) =   0.132%
          HN    GLN   32 - HA    LYS+  33   5.26 +/- 0.07   1.640% *  0.1014% (0.40   1.0   0.02  11.36) =   0.002%
          HN    SER   85 - HA    GLU-  29  18.59 +/- 1.41   0.001% *  0.1046% (0.41   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    GLN   32  20.99 +/- 2.26   0.000% *  0.1607% (0.63   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LYS+  33  23.96 +/- 1.75   0.000% *  0.1654% (0.65   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLN   32  21.68 +/- 0.94   0.000% *  0.0847% (0.33   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLU-  29  21.06 +/- 0.95   0.000% *  0.0551% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HA    LYS+  33  23.09 +/- 0.88   0.000% *  0.0872% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLU-  29  18.73 +/- 0.94   0.001% *  0.0175% (0.07   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLN   32  22.22 +/- 1.12   0.000% *  0.0269% (0.11   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    LYS+  33  23.54 +/- 0.73   0.000% *  0.0276% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 0.653, support = 5.5, residual support = 139.4:
      O   HN    LYS+  33 - HA    LYS+  33   2.86 +/- 0.01  76.012% * 79.3011% (0.69  10.0   5.59 148.41) =  93.441%  kept
      O   HN    LYS+  33 - HA    GLN   32   3.56 +/- 0.02  20.745% * 20.3940% (0.18  10.0   4.21  11.36) =   6.558%  kept
          HN    LYS+  33 - HA    GLU-  29   4.98 +/- 0.41   3.214% *  0.0221% (0.19   1.0   0.02   0.02) =   0.001%
          HN    CYS   21 - HA    GLU-  29  11.55 +/- 0.46   0.018% *  0.0289% (0.25   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    LYS+  33  14.37 +/- 0.53   0.005% *  0.1035% (0.90   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    GLN   32  14.65 +/- 0.58   0.004% *  0.0266% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    LYS+  33  26.03 +/- 1.53   0.000% *  0.0518% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    LYS+  33  24.55 +/- 1.90   0.000% *  0.0288% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLU-  29  20.36 +/- 1.50   0.001% *  0.0080% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN   32  21.71 +/- 2.05   0.000% *  0.0074% (0.06   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLN   32  26.05 +/- 1.37   0.000% *  0.0133% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLU-  29  27.54 +/- 1.24   0.000% *  0.0145% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2487 (7.29, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.581, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    LYS+  33  15.23 +/- 1.58  12.404% * 37.1179% (0.92   0.02   0.02) =  41.291%  kept
          HE3   TRP   27 - QB    LYS+  33  10.76 +/- 1.49  78.576% *  5.4417% (0.14   0.02   0.02) =  38.346%  kept
          HN    LYS+  81 - QB    LYS+  33  19.45 +/- 1.64   3.014% * 39.4132% (0.98   0.02   0.02) =  10.653%  kept
          HN    LYS+  66 - QB    LYS+  33  17.27 +/- 1.38   6.006% * 18.0271% (0.45   0.02   0.02) =   9.710%  kept
    Distance limit 3.62 A violated in 20 structures by 6.67 A, eliminated.
    Peak unassigned.
 
    Peak 2488 (7.95, 1.86, 32.27 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.74, residual support = 148.4:
      O   HN    LYS+  33 - QB    LYS+  33   2.39 +/- 0.32  99.986% * 99.9232% (0.97  10.0   5.74 148.41) = 100.000%  kept
          HN    CYS   21 - QB    LYS+  33  10.91 +/- 0.53   0.014% *  0.0586% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    LYS+  33  22.29 +/- 1.51   0.000% *  0.0181% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2489 (8.07, 1.86, 32.27 ppm):
    5 chemical-shift based assignments, quality = 0.914, support = 5.85, residual support = 42.5:
          HN    ALA   34 - QB    LYS+  33   2.97 +/- 0.25  92.969% * 67.9829% (0.92   5.92  43.58) =  96.607%  kept
          HN    GLN   32 - QB    LYS+  33   4.75 +/- 0.32   7.027% * 31.5894% (0.65   3.93  11.36) =   3.393%  kept
          HN    LEU   80 - QB    LYS+  33  17.71 +/- 1.17   0.003% *  0.2077% (0.84   0.02   0.02) =   0.000%
          HN    SER   85 - QB    LYS+  33  20.52 +/- 1.42   0.001% *  0.0691% (0.28   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    LYS+  33  25.13 +/- 1.45   0.000% *  0.1508% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2490 (8.63, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.478, support = 0.02, residual support = 0.02:
          HN    GLY   16 - QB    LYS+  33  12.79 +/- 1.56  67.884% *  8.4971% (0.20   0.02   0.02) =  39.414%  kept
          HN    ILE  103 - QB    LYS+  33  15.79 +/- 0.79  21.232% * 24.3087% (0.57   0.02   0.02) =  35.267%  kept
          HN    SER   82 - QB    LYS+  33  18.69 +/- 1.68   8.535% * 34.3809% (0.80   0.02   0.02) =  20.051%  kept
          HN    GLN   90 - QB    LYS+  33  22.97 +/- 1.68   2.349% * 32.8133% (0.76   0.02   0.02) =   5.267%  kept
    Distance limit 3.82 A violated in 20 structures by 8.07 A, eliminated.
    Peak unassigned.
 
    Peak 2491 (4.02, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 0.523, support = 5.38, residual support = 147.4:
      O   HA    LYS+  33 - HG2   LYS+  33   3.59 +/- 0.50  79.753% * 93.6604% (0.53  10.0   5.39 148.41) =  99.209%  kept
          HB2   SER   82 - QG    LYS+  81   5.88 +/- 1.10  12.250% *  4.7816% (0.13   1.0   4.04  19.20) =   0.778%  kept
          HB2   SER   37 - HG2   LYS+  33   6.75 +/- 1.25   4.700% *  0.1487% (0.84   1.0   0.02   0.02) =   0.009%
          HA    GLU-  29 - HG2   LYS+  33   6.76 +/- 1.27   2.769% *  0.0668% (0.38   1.0   0.02   0.02) =   0.002%
          HA    VAL   70 - HG2   LYS+  33  10.68 +/- 2.11   0.370% *  0.1487% (0.84   1.0   0.02   0.02) =   0.001%
          HA    VAL   18 - HG2   LYS+  33  13.36 +/- 1.64   0.053% *  0.0607% (0.34   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+ 106  14.11 +/- 0.90   0.028% *  0.0902% (0.51   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+  33  15.96 +/- 2.18   0.024% *  0.0867% (0.49   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   LYS+ 106  16.16 +/- 1.30   0.012% *  0.0902% (0.51   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    LYS+  81  17.27 +/- 2.01   0.010% *  0.0320% (0.18   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+  33  19.50 +/- 2.12   0.004% *  0.0495% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   LYS+ 106  21.28 +/- 0.96   0.002% *  0.0902% (0.51   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+ 106  18.33 +/- 0.73   0.005% *  0.0368% (0.21   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    LYS+  81  18.51 +/- 0.80   0.005% *  0.0291% (0.16   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+  33  26.59 +/- 2.15   0.001% *  0.1487% (0.84   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+ 106  20.91 +/- 3.29   0.003% *  0.0300% (0.17   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   LYS+ 106  22.03 +/- 0.97   0.002% *  0.0568% (0.32   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+ 106  21.99 +/- 1.35   0.002% *  0.0526% (0.30   1.0   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    LYS+  81  23.58 +/- 0.76   0.001% *  0.0712% (0.40   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    LYS+  81  22.51 +/- 1.86   0.002% *  0.0448% (0.25   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   LYS+ 106  21.91 +/- 1.19   0.002% *  0.0405% (0.23   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    LYS+  81  25.61 +/- 1.33   0.001% *  0.0712% (0.40   1.0   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    LYS+  81  26.21 +/- 1.28   0.001% *  0.0712% (0.40   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  81  24.64 +/- 0.91   0.001% *  0.0415% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2492 (0.79, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 4.85, residual support = 123.4:
        T QD1   ILE   56 - QG2   ILE   56   2.73 +/- 0.65  99.895% * 99.6085% (0.98 10.00   4.85 123.41) = 100.000%  kept
          QD2   LEU   73 - QG2   ILE   56  11.47 +/- 1.44   0.050% *  0.0814% (0.80  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QG2   ILE   56  13.72 +/- 1.39   0.017% *  0.1568% (0.15 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   ILE   56  13.40 +/- 1.02   0.014% *  0.0738% (0.73  1.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - QG2   ILE   56  12.42 +/- 1.53   0.021% *  0.0138% (0.14  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG2   ILE   56  17.32 +/- 1.34   0.003% *  0.0657% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.30 A, kept.
 
    Peak 2493 (4.17, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.99, support = 0.02, residual support = 0.02:
        T HA    CYS   53 - QG2   ILE   56   2.96 +/- 1.52  98.594% * 49.9558% (0.99 10.00   0.02   0.02) =  99.925%  kept
        T HA    ILE   19 - QG2   ILE   56  14.60 +/- 1.48   0.047% * 42.0992% (0.84 10.00   0.02   0.02) =   0.041%
          HA    GLU- 114 - QG2   ILE   56   9.73 +/- 1.45   1.308% *  1.2568% (0.25  1.00   0.02   0.02) =   0.033%
          HA1   GLY  101 - QG2   ILE   56  19.40 +/- 1.80   0.037% *  0.7777% (0.15  1.00   0.02   0.02) =   0.001%
          HA    THR   26 - QG2   ILE   56  19.61 +/- 1.69   0.008% *  2.8535% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - QG2   ILE   56  20.17 +/- 1.89   0.006% *  3.0570% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 4 structures by 0.58 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2494 (4.45, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.875, support = 3.5, residual support = 16.1:
          HA    PHE   55 - QG2   ILE   56   4.98 +/- 0.74  34.572% * 87.6513% (0.92   4.08  18.72) =  82.734%  kept
          HA    ALA  110 - QG2   ILE   56   5.66 +/- 3.65  55.898% * 11.2957% (0.65   0.75   3.37) =  17.239%  kept
          HA    THR   46 - QG2   ILE   56   6.66 +/- 2.25   9.043% *  0.0921% (0.20   0.02   0.02) =   0.023%
          HA    VAL   42 - QG2   ILE   56  11.38 +/- 1.46   0.299% *  0.3728% (0.80   0.02   0.02) =   0.003%
          HA    GLN   90 - QG2   ILE   56  12.31 +/- 2.47   0.111% *  0.3558% (0.76   0.02   0.02) =   0.001%
          HA    GLN   17 - QG2   ILE   56  12.88 +/- 1.02   0.074% *  0.1161% (0.25   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   ILE   56  23.30 +/- 1.91   0.004% *  0.1161% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 4 structures by 0.52 A, kept.
 
    Peak 2495 (6.89, 1.27, 17.92 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QG2   ILE   56  10.57 +/- 0.80 100.000% *100.0000% (0.73   0.02   0.02) = 100.000%  kept
    Distance limit 2.93 A violated in 20 structures by 7.64 A, eliminated.
    Peak unassigned.
 
    Peak 2496 (7.40, 1.27, 17.92 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.34, residual support = 33.1:
          HN    ALA   57 - QG2   ILE   56   3.47 +/- 0.46  99.496% * 99.1190% (0.92   5.34  33.13) =  99.998%  kept
          HE21  GLN  116 - QG2   ILE   56   9.81 +/- 1.50   0.336% *  0.3490% (0.87   0.02   0.02) =   0.001%
          HN    ALA  120 - QG2   ILE   56  11.00 +/- 0.89   0.143% *  0.1959% (0.49   0.02   0.02) =   0.000%
          HE21  GLN   90 - QG2   ILE   56  14.86 +/- 1.74   0.025% *  0.3361% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2497 (7.60, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 6.67, residual support = 123.4:
          HN    ILE   56 - QG2   ILE   56   2.49 +/- 0.54  92.433% * 98.5359% (0.65   6.67 123.41) =  99.992%  kept
          QE    PHE   60 - QG2   ILE   56   6.36 +/- 2.16   6.557% *  0.0904% (0.20   0.02   4.31) =   0.007%
          HN    LYS+ 111 - QG2   ILE   56   6.81 +/- 2.62   0.796% *  0.1270% (0.28   0.02   2.11) =   0.001%
          HN    LEU   63 - QG2   ILE   56   7.94 +/- 0.76   0.205% *  0.3491% (0.76   0.02   0.02) =   0.001%
          HZ2   TRP   87 - QG2   ILE   56  14.64 +/- 2.38   0.004% *  0.3491% (0.76   0.02   0.02) =   0.000%
          HD21  ASN   28 - QG2   ILE   56  18.01 +/- 1.73   0.001% *  0.4216% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - QG2   ILE   56  15.05 +/- 2.39   0.003% *  0.1270% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2498 (3.86, 1.28, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.799, support = 2.84, residual support = 9.03:
        T HB    THR   39 - QB    ALA   34   3.17 +/- 0.59  83.036% * 93.7270% (0.80 10.00   2.86   9.08) =  99.393%  kept
          HA    GLN   30 - QB    ALA   34   5.12 +/- 0.40   7.373% *  3.9346% (0.44  1.00   1.55   0.47) =   0.370%
          HB3   SER   37 - QB    ALA   34   4.83 +/- 0.35   9.521% *  1.9440% (0.69  1.00   0.49   0.02) =   0.236%
          QB    SER   13 - QB    ALA   34  13.23 +/- 2.61   0.046% *  0.0965% (0.83  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   34  15.41 +/- 1.90   0.010% *  0.1036% (0.89  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   34  16.12 +/- 1.24   0.008% *  0.0392% (0.34  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QB    ALA   34  17.76 +/- 1.88   0.004% *  0.0799% (0.69  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - QB    ALA   34  23.26 +/- 1.88   0.001% *  0.0592% (0.51  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QB    ALA   34  19.82 +/- 1.18   0.002% *  0.0161% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2499 (3.63, 1.28, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.651, support = 0.75, residual support = 5.14:
          HA    LEU   31 - QB    ALA   34   2.30 +/- 0.15 100.000% *100.0000% (0.65   0.75   5.14) = 100.000%  kept
    Distance limit 3.25 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 = 0.748, support = 2.95, residual support = 9.26:
        T QG1   VAL   41 - QB    ALA   34   2.23 +/- 0.28  97.714% * 89.7829% (0.75 10.00   2.96   9.27) =  99.891%  kept
          HG    LEU   31 - QB    ALA   34   5.02 +/- 0.38   1.045% *  9.0208% (0.83  1.00   1.82   5.14) =   0.107%
          QD2   LEU   73 - QB    ALA   34   5.34 +/- 0.71   0.967% *  0.0861% (0.72  1.00   0.02   0.02) =   0.001%
          QG1   VAL   43 - QB    ALA   34   6.51 +/- 0.92   0.258% *  0.0695% (0.58  1.00   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QB    ALA   34  10.66 +/- 0.59   0.012% *  0.4419% (0.37 10.00   0.02   0.02) =   0.000%
        T QD1   ILE   56 - QB    ALA   34  15.34 +/- 1.11   0.001% *  0.5655% (0.47 10.00   0.02   0.02) =   0.000%
          QG2   THR   46 - QB    ALA   34  13.42 +/- 0.85   0.003% *  0.0332% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2501 (8.38, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.616, support = 3.32, residual support = 18.8:
          HN    ASN   35 - QB    ALA   34   2.89 +/- 0.06  99.925% * 98.6029% (0.62   3.32  18.76) = 100.000%  kept
          HN    PHE   97 - QB    ALA   34   9.89 +/- 0.54   0.066% *  0.2670% (0.28   0.02   0.02) =   0.000%
          HN    ALA   12 - QB    ALA   34  16.01 +/- 2.86   0.007% *  0.8631% (0.89   0.02   0.02) =   0.000%
          HN    LEU  115 - QB    ALA   34  19.42 +/- 0.68   0.001% *  0.2670% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 3.72, residual support = 25.6:
      O   HN    ALA   34 - QB    ALA   34   2.04 +/- 0.08  99.994% * 99.6936% (0.58  10.0   3.72  25.58) = 100.000%  kept
          HN    THR   26 - QB    ALA   34  10.76 +/- 0.40   0.005% *  0.0428% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    ALA   34  16.00 +/- 1.19   0.000% *  0.1178% (0.69   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   34  20.99 +/- 1.33   0.000% *  0.1458% (0.85   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2503 (8.08, 4.13, 54.46 ppm):
    8 chemical-shift based assignments, quality = 0.866, support = 3.53, residual support = 25.6:
      O   HN    ALA   34 - HA    ALA   34   2.77 +/- 0.01  99.586% * 99.6949% (0.87  10.0   3.53  25.58) = 100.000%  kept
          HN    GLN   32 - HA    ALA   34   6.91 +/- 0.12   0.413% *  0.0287% (0.25   1.0   0.02   0.11) =   0.000%
          HN    LEU   80 - HA    ALA   34  20.97 +/- 1.27   0.001% *  0.1031% (0.89   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    ALA  124  22.44 +/- 4.38   0.001% *  0.0229% (0.20   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA   34  26.83 +/- 1.68   0.000% *  0.0977% (0.85   1.0   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA  124  26.47 +/- 2.20   0.000% *  0.0224% (0.19   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    ALA  124  26.05 +/- 4.10   0.000% *  0.0066% (0.06   1.0   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA  124  31.76 +/- 2.51   0.000% *  0.0237% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2504 (3.87, 4.13, 54.46 ppm):
    16 chemical-shift based assignments, quality = 0.88, support = 2.8, residual support = 8.51:
          HB    THR   39 - HA    ALA   34   2.71 +/- 0.41  70.977% * 83.0903% (0.88   2.95   9.08) =  93.674%  kept
          HB3   SER   37 - HA    ALA   34   3.31 +/- 0.43  28.589% * 13.9293% (0.89   0.49   0.02) =   6.325%  kept
          HA    GLN   30 - HA    ALA   34   6.71 +/- 0.52   0.415% *  0.1006% (0.16   0.02   0.47) =   0.001%
          QB    SER   13 - HA    ALA   34  14.75 +/- 3.33   0.011% *  0.5543% (0.87   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA  124  14.27 +/- 0.54   0.004% *  0.1008% (0.16   0.02   0.02) =   0.000%
          HB    THR   39 - HA    ALA  124  17.98 +/- 4.55   0.002% *  0.1292% (0.20   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA   34  20.71 +/- 1.62   0.000% *  0.4389% (0.69   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA   34  20.50 +/- 2.12   0.000% *  0.4171% (0.65   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA   34  23.59 +/- 2.27   0.000% *  0.5731% (0.89   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ALA  124  20.75 +/- 4.87   0.001% *  0.1316% (0.21   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ALA  124  21.93 +/- 3.22   0.000% *  0.1272% (0.20   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA   34  29.63 +/- 2.40   0.000% *  0.1279% (0.20   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA  124  29.79 +/- 1.93   0.000% *  0.1316% (0.21   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ALA  124  25.00 +/- 3.94   0.000% *  0.0231% (0.04   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA  124  33.73 +/- 3.41   0.000% *  0.0957% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA  124  29.45 +/- 2.42   0.000% *  0.0294% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 4.02, residual support = 55.3:
      O T HA    ASN   35 - HB2   ASN   35   2.72 +/- 0.07  99.845% * 97.5620% (0.90  10.0 10.00   4.02  55.32) =  99.999%  kept
        T HA    LEU   40 - HB2   ASN   35   9.38 +/- 0.55   0.064% *  0.7037% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   35   9.33 +/- 0.93   0.073% *  0.0831% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   ASN   28  13.10 +/- 0.34   0.008% *  0.3035% (0.28   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   35  18.51 +/- 1.78   0.001% *  0.4877% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   ASN   28  15.73 +/- 0.38   0.003% *  0.2189% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   28  19.16 +/- 1.23   0.001% *  0.1517% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   28  16.50 +/- 0.74   0.002% *  0.0259% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   35  20.65 +/- 3.42   0.001% *  0.0488% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   35  24.09 +/- 3.87   0.000% *  0.1066% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   28  20.97 +/- 3.40   0.001% *  0.0152% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   35  27.97 +/- 1.79   0.000% *  0.1004% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   35  27.34 +/- 2.08   0.000% *  0.0530% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   28  26.52 +/- 1.28   0.000% *  0.0312% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   28  28.58 +/- 3.15   0.000% *  0.0332% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   28  26.37 +/- 1.80   0.000% *  0.0165% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   35  31.15 +/- 1.15   0.000% *  0.0447% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   28  32.02 +/- 1.51   0.000% *  0.0139% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2506 (8.35, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 5.82, residual support = 55.3:
      O   HN    ASN   35 - HB2   ASN   35   2.43 +/- 0.41  99.952% * 99.6071% (0.57  10.0   5.82  55.32) = 100.000%  kept
          HN    LYS+  99 - HB2   ASN   35  10.59 +/- 0.93   0.018% *  0.0996% (0.57   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ASN   28  10.71 +/- 0.33   0.025% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   35  18.81 +/- 4.12   0.001% *  0.0856% (0.49   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   35  19.85 +/- 2.80   0.001% *  0.0600% (0.34   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASN   28  17.04 +/- 0.97   0.001% *  0.0310% (0.18   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   35  21.98 +/- 3.80   0.001% *  0.0308% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   28  20.19 +/- 2.56   0.001% *  0.0187% (0.11   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   28  22.10 +/- 3.55   0.000% *  0.0266% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   28  22.24 +/- 4.15   0.001% *  0.0096% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2508 (7.37, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.58, residual support = 55.3:
      O   HD21  ASN   35 - HB2   ASN   35   2.39 +/- 0.21  99.960% * 99.7208% (1.00  10.0   3.58  55.32) = 100.000%  kept
          HD2   HIS   22 - HB2   ASN   28  10.23 +/- 1.54   0.024% *  0.0237% (0.24   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   ASN   28  11.21 +/- 0.89   0.014% *  0.0310% (0.31   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   35  17.31 +/- 1.88   0.001% *  0.0762% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   35  20.12 +/- 0.95   0.000% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   28  23.89 +/- 1.97   0.000% *  0.0188% (0.19   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   28  21.89 +/- 2.17   0.000% *  0.0077% (0.08   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   35  30.19 +/- 3.03   0.000% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   28  22.50 +/- 0.76   0.000% *  0.0086% (0.09   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   35  28.74 +/- 2.43   0.000% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2509 (3.98, 2.95, 38.12 ppm):
    24 chemical-shift based assignments, quality = 0.949, support = 2.22, residual support = 7.42:
        T HA    GLN   32 - HB2   ASN   35   3.39 +/- 0.49  69.523% * 74.0650% (0.99 10.00   2.12   6.35) =  95.114%  kept
        T HA    GLU-  29 - HB2   ASN   28   4.05 +/- 0.20  26.157% *  7.9291% (0.11 10.00   4.82  35.78) =   3.831%  kept
        T HA    LYS+  33 - HB2   ASN   35   5.59 +/- 0.21   3.432% * 16.5883% (0.22 10.00   1.99   1.29) =   1.052%  kept
        T HA    GLN   32 - HB2   ASN   28   8.10 +/- 0.40   0.425% *  0.2304% (0.31 10.00   0.02   0.02) =   0.002%
        T HA    GLU-  29 - HB2   ASN   35   8.72 +/- 0.49   0.231% *  0.2549% (0.34 10.00   0.02   0.02) =   0.001%
        T HA    LYS+  33 - HB2   ASN   28  10.69 +/- 0.51   0.078% *  0.0518% (0.07 10.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   28  10.82 +/- 2.41   0.115% *  0.0104% (0.14  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   35  22.91 +/- 1.33   0.001% *  0.3350% (0.45 10.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   28  14.09 +/- 1.50   0.017% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   35  18.24 +/- 0.94   0.003% *  0.0280% (0.38  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   28  18.12 +/- 1.27   0.003% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   35  20.16 +/- 2.90   0.002% *  0.0335% (0.45  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   28  23.97 +/- 1.60   0.001% *  0.1042% (0.14 10.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   28  16.68 +/- 0.58   0.005% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   35  24.42 +/- 2.18   0.001% *  0.0732% (0.98  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   35  21.12 +/- 2.23   0.002% *  0.0280% (0.38  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   35  21.86 +/- 1.57   0.001% *  0.0280% (0.38  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   28  22.06 +/- 2.09   0.001% *  0.0194% (0.26  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   35  28.58 +/- 2.32   0.000% *  0.0624% (0.84  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   35  30.57 +/- 2.30   0.000% *  0.0732% (0.98  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   28  26.20 +/- 1.34   0.000% *  0.0228% (0.30  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   28  22.82 +/- 0.85   0.001% *  0.0087% (0.12  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   35  25.49 +/- 2.72   0.000% *  0.0101% (0.14  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   28  29.20 +/- 1.98   0.000% *  0.0031% (0.04  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2510 (2.15, 2.86, 38.12 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 4.82, residual support = 51.5:
          QB    GLU-  36 - HB3   ASN   35   3.98 +/- 0.16  97.545% * 98.5990% (0.99   4.82  51.47) =  99.997%  kept
          HB2   LYS+  38 - HB3   ASN   35   7.69 +/- 0.40   2.019% *  0.0723% (0.18   0.02   0.02) =   0.002%
          HB3   GLU-  29 - HB3   ASN   35  10.58 +/- 0.50   0.306% *  0.3811% (0.92   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HB3   ASN   35  12.28 +/- 0.53   0.126% *  0.2337% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB3   ASN   35  24.04 +/- 1.59   0.002% *  0.3984% (0.97   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB3   ASN   35  29.75 +/- 1.91   0.001% *  0.3155% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2511 (2.15, 2.95, 38.12 ppm):
    12 chemical-shift based assignments, quality = 0.692, support = 5.13, residual support = 45.5:
          QB    GLU-  36 - HB2   ASN   35   4.92 +/- 0.27  22.633% * 68.7064% (0.99  1.00   5.29  51.47) =  61.813%  kept
          HG3   GLU-  29 - HB2   ASN   28   4.22 +/- 0.61  60.178% * 11.5194% (0.18  1.00   4.99  35.78) =  27.555%  kept
          HB3   GLU-  29 - HB2   ASN   28   5.34 +/- 0.39  15.380% * 17.3779% (0.29  1.00   4.61  35.78) =  10.624%  kept
          HB2   LYS+  38 - HB2   ASN   35   7.88 +/- 0.37   1.284% *  0.0459% (0.18  1.00   0.02   0.02) =   0.002%
          HB3   GLU-  29 - HB2   ASN   35  10.56 +/- 0.52   0.224% *  0.2421% (0.92  1.00   0.02   0.02) =   0.002%
        T HB3   GLU-  79 - HB2   ASN   28  14.40 +/- 1.90   0.044% *  0.7874% (0.30 10.00   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HB2   ASN   35  12.12 +/- 0.63   0.102% *  0.1485% (0.57  1.00   0.02   0.02) =   0.001%
          QB    GLU-  36 - HB2   ASN   28  11.37 +/- 0.64   0.140% *  0.0809% (0.31  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   ASN   28  22.17 +/- 1.25   0.003% *  0.6236% (0.24 10.00   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB2   ASN   35  23.25 +/- 1.75   0.002% *  0.2531% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   ASN   28  17.80 +/- 0.29   0.009% *  0.0143% (0.05  1.00   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB2   ASN   35  28.58 +/- 1.53   0.001% *  0.2005% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2512 (4.00, 2.86, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.549, support = 1.89, residual support = 5.63:
          HA    GLN   32 - HB3   ASN   35   3.49 +/- 0.34  88.850% * 37.2516% (0.49  1.00   1.97   6.35) =  85.711%  kept
          HA    LYS+  33 - HB3   ASN   35   5.09 +/- 0.27  10.773% * 51.1901% (0.92  1.00   1.43   1.29) =  14.281%  kept
          HA    GLU-  29 - HB3   ASN   35   8.86 +/- 0.48   0.337% *  0.7710% (0.99  1.00   0.02   0.02) =   0.007%
        T HA    VAL   18 - HB3   ASN   35  18.90 +/- 0.74   0.004% *  7.7611% (1.00 10.00   0.02   0.02) =   0.001%
          HA    VAL   70 - HB3   ASN   35  13.51 +/- 0.87   0.032% *  0.5032% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   ASN   35  20.99 +/- 3.08   0.002% *  0.7761% (1.00  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   ASN   35  25.56 +/- 2.54   0.001% *  0.4092% (0.53  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   ASN   35  28.48 +/- 1.02   0.000% *  0.5032% (0.65  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB3   ASN   35  29.58 +/- 1.96   0.000% *  0.5944% (0.76  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   ASN   35  31.70 +/- 1.98   0.000% *  0.2401% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2513 (4.39, 2.86, 38.12 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 3.95, residual support = 55.3:
      O   HA    ASN   35 - HB3   ASN   35   3.01 +/- 0.04  99.858% * 99.4336% (0.90  10.0   3.95  55.32) = 100.000%  kept
          HA    LYS+  99 - HB3   ASN   35  10.25 +/- 0.70   0.070% *  0.0847% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   ASN   35  10.23 +/- 0.42   0.067% *  0.0717% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   ASN   35  18.76 +/- 1.83   0.002% *  0.0497% (0.45   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   ASN   35  20.54 +/- 3.61   0.002% *  0.0497% (0.45   1.0   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   ASN   35  24.82 +/- 3.84   0.000% *  0.1087% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   ASN   35  29.03 +/- 1.61   0.000% *  0.1023% (0.92   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   ASN   35  28.24 +/- 1.69   0.000% *  0.0540% (0.49   1.0   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   ASN   35  32.27 +/- 0.62   0.000% *  0.0456% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2514 (7.37, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 55.3:
      O   HD21  ASN   35 - HB3   ASN   35   2.75 +/- 0.30  99.997% * 99.8105% (1.00  10.0   3.26  55.32) = 100.000%  kept
          HD2   HIS   22 - HB3   ASN   35  17.65 +/- 1.95   0.002% *  0.0763% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   ASN   35  20.75 +/- 0.65   0.001% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASN   35  31.26 +/- 2.91   0.000% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB3   ASN   35  29.87 +/- 2.77   0.000% *  0.0249% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2515 (7.76, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.91, residual support = 51.5:
          HN    GLU-  36 - HB3   ASN   35   2.89 +/- 0.11  99.393% * 98.9717% (0.97   5.91  51.47) =  99.998%  kept
          HN    THR   39 - HB3   ASN   35   6.91 +/- 0.18   0.558% *  0.3112% (0.90   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HB3   ASN   35  11.26 +/- 1.38   0.040% *  0.2898% (0.84   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   ASN   35  13.89 +/- 0.53   0.009% *  0.1071% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   ASN   35  20.31 +/- 2.28   0.001% *  0.3203% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2516 (8.37, 2.86, 38.12 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.88, residual support = 55.3:
      O   HN    ASN   35 - HB3   ASN   35   2.73 +/- 0.29  99.999% * 99.9102% (0.97  10.0   5.88  55.32) = 100.000%  kept
          HN    ALA   12 - HB3   ASN   35  21.67 +/- 3.94   0.001% *  0.0898% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2517 (6.53, 2.86, 38.12 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 3.26, residual support = 55.3:
      O   HD22  ASN   35 - HB3   ASN   35   3.74 +/- 0.15 100.000% *100.0000% (0.99  10.0   3.26  55.32) = 100.000%  kept
    Distance limit 4.01 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2518 (7.77, 2.95, 38.12 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 6.05, residual support = 51.5:
          HN    GLU-  36 - HB2   ASN   35   3.57 +/- 0.16  97.229% * 98.9280% (0.92   6.05  51.47) =  99.994%  kept
          HN    THR   39 - HB2   ASN   35   6.72 +/- 0.22   2.319% *  0.1863% (0.53   0.02   0.02) =   0.004%
          HN    LYS+ 102 - HB2   ASN   35  10.26 +/- 1.49   0.307% *  0.3533% (1.00   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB2   ASN   28  11.98 +/- 0.48   0.071% *  0.1017% (0.29   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   28  13.51 +/- 1.25   0.039% *  0.0624% (0.18   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASN   28  14.67 +/- 0.23   0.021% *  0.0580% (0.16   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   ASN   28  17.34 +/- 1.63   0.009% *  0.1099% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   35  19.17 +/- 1.97   0.005% *  0.2005% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2519 (4.09, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 5.56, residual support = 86.7:
      O T HA    GLU-  36 - QB    GLU-  36   2.39 +/- 0.19  99.992% * 99.4140% (0.84  10.0 10.00   5.56  86.68) = 100.000%  kept
        T HA    GLU-  36 - HB3   GLU-  29  12.07 +/- 0.58   0.007% *  0.3080% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    GLU-  36  20.85 +/- 1.01   0.000% *  0.0626% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   GLU-  29  19.19 +/- 1.20   0.000% *  0.0268% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    GLU-  36  24.01 +/- 1.42   0.000% *  0.0864% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    GLU-  36  22.62 +/- 4.22   0.000% *  0.0367% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  66 - HB3   GLU-  29  24.76 +/- 1.19   0.000% *  0.0194% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    GLU-  36  28.65 +/- 1.79   0.000% *  0.0265% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   GLU-  29  28.07 +/- 2.21   0.000% *  0.0082% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   GLU-  29  29.43 +/- 3.87   0.000% *  0.0114% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2520 (7.93, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 3.72, residual support = 18.9:
          HN    SER   37 - QB    GLU-  36   3.40 +/- 0.24  83.951% * 95.6954% (0.45   3.72  18.87) =  99.946%  kept
          HN    LYS+  33 - QB    GLU-  36   4.70 +/- 0.26  12.286% *  0.3191% (0.28   0.02   0.02) =   0.049%
          HN    LYS+  33 - HB3   GLU-  29   5.93 +/- 0.48   3.592% *  0.0989% (0.09   0.02   0.02) =   0.004%
          HN    CYS   21 - HB3   GLU-  29  10.76 +/- 0.58   0.093% *  0.3431% (0.30   0.02   0.02) =   0.000%
          HN    CYS   21 - QB    GLU-  36  15.33 +/- 0.50   0.011% *  1.1076% (0.97   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   GLU-  29  11.47 +/- 0.58   0.064% *  0.1594% (0.14   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    GLU-  36  24.67 +/- 1.32   0.001% *  0.9956% (0.87   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    GLU-  36  23.85 +/- 1.76   0.001% *  0.7425% (0.65   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   GLU-  29  21.40 +/- 1.36   0.002% *  0.2300% (0.20   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   GLU-  29  28.22 +/- 1.19   0.000% *  0.3084% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2521 (7.77, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 7.31, residual support = 86.7:
      O   HN    GLU-  36 - QB    GLU-  36   2.13 +/- 0.08  99.823% * 99.6455% (0.69  10.0   7.31  86.68) = 100.000%  kept
          HN    THR   39 - QB    GLU-  36   6.21 +/- 0.30   0.162% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   GLU-  29   9.93 +/- 0.52   0.010% *  0.0309% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    GLU-  36  13.28 +/- 1.25   0.002% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   GLU-  29  12.96 +/- 0.54   0.002% *  0.0125% (0.09   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   GLU-  29  18.76 +/- 1.57   0.000% *  0.0390% (0.27   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    GLU-  36  18.29 +/- 0.72   0.000% *  0.0362% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    GLU-  36  20.59 +/- 1.65   0.000% *  0.0448% (0.31   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   GLU-  29  17.79 +/- 1.36   0.000% *  0.0139% (0.10   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HB3   GLU-  29  22.08 +/- 0.92   0.000% *  0.0112% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2522 (7.78, 2.46, 36.40 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 4.85, residual support = 86.7:
          HN    GLU-  36 - HG2   GLU-  36   3.38 +/- 0.54  99.978% * 98.4019% (0.28   4.85  86.68) = 100.000%  kept
          HN    LYS+ 102 - HG2   GLU-  36  14.99 +/- 1.33   0.020% *  0.6542% (0.45   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG2   GLU-  36  20.64 +/- 1.31   0.002% *  0.9439% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2523 (7.77, 2.31, 36.40 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 4.85, residual support = 86.7:
          HN    GLU-  36 - HG3   GLU-  36   4.02 +/- 0.09  97.318% * 98.8130% (0.69   4.85  86.68) =  99.995%  kept
          HN    THR   39 - HG3   GLU-  36   7.81 +/- 1.14   2.588% *  0.1649% (0.28   0.02   0.02) =   0.004%
          HN    LYS+ 102 - HG3   GLU-  36  15.94 +/- 1.39   0.029% *  0.5145% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    MET   11  18.09 +/- 3.80   0.028% *  0.0508% (0.09   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   GLU-  36  21.54 +/- 1.04   0.004% *  0.1479% (0.25   0.02   0.02) =   0.000%
          HN    THR   39 - QB    MET   11  17.67 +/- 3.31   0.026% *  0.0205% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG3   GLU-  36  24.11 +/- 1.81   0.002% *  0.1831% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    MET   11  26.19 +/- 3.79   0.002% *  0.0641% (0.11   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    MET   11  28.62 +/- 4.03   0.001% *  0.0228% (0.04   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    MET   11  27.22 +/- 2.47   0.001% *  0.0184% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2524 (7.78, 4.10, 58.69 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 6.06, residual support = 86.7:
      O   HN    GLU-  36 - HA    GLU-  36   2.84 +/- 0.02  99.989% * 99.6076% (0.28  10.0   6.06  86.68) = 100.000%  kept
          HN    LYS+ 102 - HA    GLU-  36  13.57 +/- 1.28   0.010% *  0.1606% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP- 105 - HA    GLU-  36  19.81 +/- 0.76   0.001% *  0.2318% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 26.7:
      O   HN    SER   37 - HB2   SER   37   3.48 +/- 0.24  99.987% * 99.7690% (0.98  10.0   3.42  26.70) = 100.000%  kept
          HN    CYS   21 - HB2   SER   37  16.25 +/- 0.74   0.011% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   SER   37  23.06 +/- 1.82   0.001% *  0.0883% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   SER   37  26.75 +/- 1.73   0.001% *  0.1009% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 0.52, support = 0.0199, residual support = 0.0199:
          HN    GLN   30 - HB3   SER   37  10.59 +/- 0.53  42.759% * 12.9780% (0.47   0.02   0.02) =  48.182%  kept
          HN    GLU-  29 - HB3   SER   37  12.81 +/- 0.53  13.389% * 22.4691% (0.82   0.02   0.02) =  26.121%  kept
          HN    VAL   18 - QB    SER   13  11.32 +/- 1.27  30.922% *  4.8772% (0.18   0.02   0.02) =  13.094%  kept
          HN    GLN   30 - QB    SER   13  15.80 +/- 3.27   6.686% *  9.9312% (0.36   0.02   0.02) =   5.765%  kept
          HN    GLU-  29 - QB    SER   13  17.50 +/- 3.37   3.312% * 17.1942% (0.63   0.02   0.02) =   4.944%  kept
          HN    VAL   18 - HB3   SER   37  17.11 +/- 1.15   2.497% *  6.3735% (0.23   0.02   0.02) =   1.382%  kept
          HN    ASP-  86 - HB3   SER   37  24.67 +/- 1.84   0.274% * 14.8290% (0.54   0.02   0.02) =   0.353%
          HN    ASP-  86 - QB    SER   13  27.09 +/- 2.95   0.161% * 11.3477% (0.41   0.02   0.02) =   0.159%
    Distance limit 3.81 A violated in 20 structures by 5.29 A, eliminated.
    Peak unassigned.
 
    Peak 2527 (7.88, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 6.64, residual support = 219.2:
      O   HN    LYS+  38 - HA    LYS+  38   2.21 +/- 0.00  96.850% * 99.8691% (0.92  10.0   6.64 219.19) =  99.999%  kept
          HN    SER   37 - HA    LYS+  38   4.03 +/- 0.01   2.624% *  0.0270% (0.25   1.0   0.02  13.72) =   0.001%
          HN    LYS+  38 - HA    GLU- 100   6.10 +/- 1.33   0.428% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLU- 100   7.74 +/- 1.38   0.084% *  0.0016% (0.02   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LYS+  38  10.62 +/- 0.21   0.008% *  0.0167% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    GLU- 100  11.58 +/- 1.54   0.006% *  0.0010% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LYS+  38  22.30 +/- 0.99   0.000% *  0.0214% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LYS+  38  29.82 +/- 2.15   0.000% *  0.0527% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    GLU- 100  22.33 +/- 1.29   0.000% *  0.0013% (0.01   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    GLU- 100  29.06 +/- 2.63   0.000% *  0.0032% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2528 (7.75, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 6.27, residual support = 27.9:
      O   HN    THR   39 - HA    LYS+  38   3.07 +/- 0.03  88.727% * 99.6467% (0.92  10.0   6.28  27.94) =  99.996%  kept
          HN    GLU-  36 - HA    LYS+  38   5.33 +/- 0.04   3.248% *  0.1021% (0.95   1.0   0.02   0.63) =   0.004%
          HN    LYS+ 102 - HA    GLU- 100   5.08 +/- 0.61   5.380% *  0.0052% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    LYS+  38   8.76 +/- 1.23   0.229% *  0.0864% (0.80   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    GLU- 100   6.45 +/- 1.43   2.037% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    GLU- 100   8.28 +/- 1.40   0.368% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    LYS+  38  16.33 +/- 0.46   0.004% *  0.0368% (0.34   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    LYS+  38  21.56 +/- 1.92   0.001% *  0.1021% (0.95   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    GLU- 100  20.28 +/- 2.99   0.002% *  0.0062% (0.06   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    GLU- 100  17.11 +/- 1.54   0.003% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2529 (7.91, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 0.02, residual support = 13.7:
          HN    SER   37 - HB2   LYS+  38   4.73 +/- 0.05  99.970% * 32.1378% (1.00   0.02  13.72) =  99.985%  kept
          HN    CYS   21 - HB2   LYS+  38  19.80 +/- 0.78   0.019% * 10.9869% (0.34   0.02   0.02) =   0.007%
          HN    ILE  119 - HB2   LYS+  38  23.26 +/- 1.83   0.008% * 25.7912% (0.80   0.02   0.02) =   0.006%
          HN    ILE   89 - HB2   LYS+  38  27.67 +/- 1.97   0.003% * 31.0842% (0.97   0.02   0.02) =   0.003%
    Distance limit 3.71 A violated in 20 structures by 1.02 A, eliminated.
    Peak unassigned.
 
    Peak 2530 (7.77, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.452, support = 5.27, residual support = 27.7:
          HN    THR   39 - HB2   LYS+  38   4.22 +/- 0.15  92.765% * 88.6251% (0.45   5.31  27.94) =  99.151%  kept
          HN    GLU-  36 - HB2   LYS+  38   6.60 +/- 0.20   6.819% * 10.2831% (0.87   0.32   0.63) =   0.846%  kept
          HN    LYS+ 102 - HB2   LYS+  38  10.85 +/- 1.21   0.413% *  0.7295% (0.98   0.02   0.02) =   0.004%
          HD1   TRP   87 - HB2   LYS+  38  24.32 +/- 1.82   0.003% *  0.3623% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 3 structures by 0.85 A, kept.
 
    Peak 2531 (7.89, 1.32, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.787, support = 5.8, residual support = 212.6:
          HN    LYS+  38 - HG2   LYS+  38   3.29 +/- 0.24  90.416% * 74.9513% (0.80   5.86 219.19) =  96.803%  kept
          HN    SER   37 - HG2   LYS+  38   4.84 +/- 0.14   9.054% * 24.7170% (0.38   4.12  13.72) =   3.197%  kept
          HN    LYS+  38 - HG2   LYS+  99   8.37 +/- 0.72   0.398% *  0.0697% (0.22   0.02   0.02) =   0.000%
          HN    SER   37 - HG2   LYS+  99  10.02 +/- 0.74   0.130% *  0.0327% (0.10   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  38  26.89 +/- 2.14   0.000% *  0.0711% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  99  27.14 +/- 2.85   0.001% *  0.0297% (0.09   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  38  31.90 +/- 2.22   0.000% *  0.1090% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  99  23.80 +/- 2.21   0.001% *  0.0194% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2532 (7.89, 1.26, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.78, support = 5.51, residual support = 209.2:
          HN    LYS+  38 - HG3   LYS+  38   4.02 +/- 0.11  86.765% * 71.8163% (0.80   5.56 219.19) =  95.156%  kept
          HN    SER   37 - HG3   LYS+  38   5.66 +/- 0.14  11.350% * 27.9432% (0.38   4.61  13.72) =   4.843%  kept
          HN    LYS+  38 - HG3   LYS+  99   8.45 +/- 1.10   1.429% *  0.0270% (0.08   0.02   0.02) =   0.001%
          HN    SER   37 - HG3   LYS+  99  10.07 +/- 1.12   0.450% *  0.0126% (0.04   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  38  27.06 +/- 2.43   0.001% *  0.0718% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  38  31.92 +/- 2.76   0.000% *  0.1101% (0.34   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  99  26.75 +/- 3.02   0.002% *  0.0115% (0.04   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  23.61 +/- 2.26   0.003% *  0.0075% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2533 (7.75, 4.27, 62.55 ppm):
    12 chemical-shift based assignments, quality = 0.963, support = 3.83, residual support = 38.1:
      O   HN    THR   39 - HA    THR   39   2.85 +/- 0.01  95.944% * 95.3057% (0.97  10.0   3.84  38.15) =  99.824%  kept
          HN    LYS+ 102 - HA    ILE  103   4.92 +/- 0.22   3.776% *  4.2702% (0.24   1.0   3.60  22.44) =   0.176%
          HN    GLU-  36 - HA    THR   39   8.03 +/- 0.16   0.193% *  0.0886% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    THR   39  10.41 +/- 1.27   0.053% *  0.0717% (0.73   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE  103  12.81 +/- 0.65   0.012% *  0.0315% (0.32   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  14.88 +/- 3.06   0.009% *  0.0320% (0.32   1.0   0.02   3.17) =   0.000%
          HN    GLU-  36 - HA    ILE  103  15.16 +/- 0.66   0.004% *  0.0293% (0.30   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  16.02 +/- 0.56   0.003% *  0.0406% (0.41   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  21.41 +/- 1.58   0.001% *  0.0968% (0.98   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  16.95 +/- 1.37   0.003% *  0.0134% (0.14   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  19.05 +/- 2.03   0.001% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  26.50 +/- 1.56   0.000% *  0.0152% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2534 (8.87, 4.27, 62.55 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 4.03, residual support = 23.7:
      O   HN    LEU   40 - HA    THR   39   2.28 +/- 0.04  99.688% * 99.8247% (0.57  10.0   4.03  23.67) = 100.000%  kept
          HN    GLY  101 - HA    ILE  103   6.23 +/- 0.34   0.259% *  0.0353% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HA    THR   39   8.80 +/- 1.13   0.042% *  0.1069% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LEU   40 - HA    ILE  103  10.74 +/- 0.87   0.010% *  0.0330% (0.19   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 3.8, residual support = 38.1:
      O   HN    THR   39 - HB    THR   39   2.73 +/- 0.25  99.493% * 99.6727% (0.97  10.0   3.81  38.15) = 100.000%  kept
          HN    GLU-  36 - HB    THR   39   6.76 +/- 0.27   0.471% *  0.0926% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB    THR   39  11.38 +/- 1.34   0.026% *  0.0750% (0.73   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    THR   39  13.40 +/- 0.66   0.009% *  0.0425% (0.41   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    THR   39  19.86 +/- 1.72   0.001% *  0.1012% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   39  25.22 +/- 1.88   0.000% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2536 (8.88, 3.86, 70.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.92, residual support = 23.7:
          HN    LEU   40 - HB    THR   39   3.74 +/- 0.26  99.510% * 99.9088% (0.98   3.92  23.67) = 100.000%  kept
          HN    GLY  101 - HB    THR   39   9.56 +/- 1.23   0.490% *  0.0912% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2539 (8.16, 1.26, 21.81 ppm):
    15 chemical-shift based assignments, quality = 0.596, support = 0.221, residual support = 0.221:
          HN    LEU   71 - QG2   THR   39   3.40 +/- 0.88  99.674% * 54.8848% (0.60   0.22   0.22) =  99.985%  kept
          HN    GLU- 114 - QB    ALA   91  13.38 +/- 2.10   0.072% *  3.3433% (0.40   0.02   0.02) =   0.004%
          HN    GLN  116 - QB    ALA   91  14.83 +/- 1.49   0.033% *  2.8489% (0.34   0.02   0.02) =   0.002%
          HN    LEU   71 - QG2   THR   23  15.33 +/- 0.56   0.032% *  2.7841% (0.33   0.02   0.02) =   0.002%
          HN    PHE   60 - QB    ALA   91  13.43 +/- 1.20   0.070% *  1.1634% (0.14   0.02   0.02) =   0.001%
          HN    PHE   60 - QG2   THR   39  14.84 +/- 1.33   0.030% *  2.4638% (0.30   0.02   0.02) =   0.001%
          HN    THR  118 - QG2   THR   39  16.87 +/- 1.43   0.015% *  4.0893% (0.49   0.02   0.02) =   0.001%
          HN    THR  118 - QB    ALA   91  14.97 +/- 1.84   0.028% *  1.9310% (0.23   0.02   0.02) =   0.001%
          HN    GLN  116 - QG2   THR   39  18.93 +/- 1.08   0.008% *  6.0331% (0.72   0.02   0.02) =   0.001%
          HN    GLU- 114 - QG2   THR   39  20.88 +/- 0.92   0.004% *  7.0799% (0.85   0.02   0.02) =   0.001%
          HN    PHE   60 - QG2   THR   23  17.57 +/- 1.58   0.018% *  1.3825% (0.17   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    ALA   91  18.79 +/- 1.19   0.009% *  2.3429% (0.28   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   THR   23  23.66 +/- 1.34   0.003% *  3.3854% (0.41   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   THR   23  24.14 +/- 1.83   0.002% *  3.9728% (0.48   0.02   0.02) =   0.000%
          HN    THR  118 - QG2   THR   23  23.05 +/- 1.50   0.003% *  2.2947% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 2 structures by 0.37 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2540 (8.89, 1.26, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 3.67, residual support = 23.7:
          HN    LEU   40 - QG2   THR   39   2.62 +/- 0.34  99.998% * 99.4403% (0.66   3.67  23.67) = 100.000%  kept
          HN    LEU   40 - QG2   THR   23  17.54 +/- 0.63   0.001% *  0.3040% (0.37   0.02   0.02) =   0.000%
          HN    LEU   40 - QB    ALA   91  20.64 +/- 1.29   0.001% *  0.2558% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2541 (7.74, 1.25, 21.56 ppm):
    24 chemical-shift based assignments, quality = 0.603, support = 3.62, residual support = 15.0:
      O   HN    ALA   91 - QB    ALA   91   2.32 +/- 0.17  85.015% * 88.7207% (0.61  10.0   3.62  14.57) =  98.312%  kept
          HN    THR   39 - QG2   THR   39   3.40 +/- 0.35  12.455% * 10.3924% (0.38   1.0   3.76  38.15) =   1.687%  kept
          HN    TRP   27 - QG2   THR   23   4.93 +/- 0.94   2.128% *  0.0142% (0.10   1.0   0.02   0.94) =   0.000%
          HD1   TRP   87 - QB    ALA   91   7.92 +/- 0.96   0.082% *  0.1118% (0.76   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   39   7.01 +/- 0.62   0.144% *  0.0259% (0.18   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   91   9.54 +/- 1.93   0.060% *  0.0365% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   23  10.47 +/- 2.04   0.056% *  0.0118% (0.08   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QG2   THR   39  12.13 +/- 0.99   0.005% *  0.0638% (0.44   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   39  10.30 +/- 1.13   0.016% *  0.0154% (0.11   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   91  15.89 +/- 0.95   0.001% *  0.1350% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA   91  14.90 +/- 1.32   0.002% *  0.0770% (0.53   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   23  13.39 +/- 2.63   0.029% *  0.0038% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   39  14.50 +/- 1.23   0.002% *  0.0363% (0.25   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   39  17.42 +/- 1.35   0.001% *  0.0528% (0.36   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   23  14.54 +/- 1.42   0.002% *  0.0093% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   91  22.56 +/- 1.22   0.000% *  0.1171% (0.80   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   39  17.28 +/- 1.80   0.001% *  0.0172% (0.12   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    ALA   91  19.13 +/- 1.95   0.000% *  0.0326% (0.22   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   THR   23  17.13 +/- 0.61   0.001% *  0.0123% (0.08   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   39  21.55 +/- 1.23   0.000% *  0.0419% (0.29   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   23  16.08 +/- 0.86   0.001% *  0.0058% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   23  17.37 +/- 1.72   0.001% *  0.0081% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    ALA   91  23.63 +/- 1.25   0.000% *  0.0549% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   23  19.51 +/- 1.49   0.000% *  0.0034% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2542 (8.47, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 3.55, residual support = 14.2:
          HN    MET   92 - QB    ALA   91   2.51 +/- 0.56  98.840% * 96.9905% (0.87   3.55  14.22) =  99.995%  kept
          HN    THR   46 - QB    ALA   91   7.40 +/- 1.58   0.790% *  0.6167% (0.98   0.02   0.02) =   0.005%
          HN    LYS+  74 - QG2   THR   23   8.00 +/- 0.78   0.240% *  0.0574% (0.09   0.02   0.02) =   0.000%
          HN    LYS+  74 - QG2   THR   39  11.20 +/- 0.70   0.035% *  0.2577% (0.41   0.02   0.02) =   0.000%
          HN    LYS+  74 - QB    ALA   91  13.76 +/- 1.09   0.009% *  0.5458% (0.87   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   23  10.64 +/- 1.68   0.060% *  0.0648% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QB    ALA   91  12.81 +/- 1.60   0.009% *  0.2146% (0.34   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   39  16.68 +/- 0.66   0.003% *  0.2912% (0.46   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   39  15.84 +/- 3.31   0.005% *  0.1563% (0.25   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   23  16.36 +/- 1.80   0.007% *  0.0574% (0.09   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   39  21.48 +/- 1.03   0.001% *  0.2577% (0.41   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   23  20.08 +/- 4.53   0.002% *  0.0348% (0.06   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   39  22.14 +/- 1.24   0.000% *  0.1014% (0.16   0.02   0.02) =   0.000%
          HN    MET   11 - QB    ALA   91  31.01 +/- 3.53   0.000% *  0.3310% (0.53   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   23  23.69 +/- 2.21   0.000% *  0.0226% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2543 (4.39, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.654, support = 5.21, residual support = 82.0:
          HA    LEU   40 - QD2   LEU   40   2.49 +/- 0.47  63.521% * 62.9703% (0.61   6.06 104.69) =  75.609%  kept
          HA    LYS+  99 - QD2   LEU   40   2.95 +/- 0.75  36.388% * 35.4606% (0.80   2.58  11.63) =  24.390%  kept
          HA    ASN   35 - QD2   LEU   40   8.63 +/- 0.53   0.043% *  0.3163% (0.92   0.02   0.02) =   0.000%
          HA    LEU  123 - QD2   LEU   40  10.66 +/- 2.78   0.022% *  0.3396% (0.99   0.02   0.02) =   0.000%
          HA    ILE   56 - QD2   LEU   40  15.08 +/- 2.17   0.006% *  0.3242% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU   40  12.22 +/- 1.65   0.011% *  0.1409% (0.41   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU   40  14.71 +/- 1.94   0.007% *  0.1536% (0.45   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU   40  16.58 +/- 2.14   0.001% *  0.1409% (0.41   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD2   LEU   40  16.73 +/- 0.86   0.001% *  0.1536% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 0.987, support = 4.5, residual support = 104.1:
          HA    LEU   40 - QD1   LEU   40   3.71 +/- 0.48  78.554% * 95.0381% (0.99   4.53 104.69) =  99.331%  kept
          HA    LYS+  99 - QD1   LEU   40   4.95 +/- 0.77  18.043% *  2.7377% (0.31   0.42  11.63) =   0.657%  kept
          HA    LEU  123 - QD1   LEU   40   9.49 +/- 3.35   2.407% *  0.2569% (0.61   0.02   0.02) =   0.008%
          HA    GLU-  15 - QD1   LEU   40  10.70 +/- 1.42   0.233% *  0.3799% (0.90   0.02   0.02) =   0.001%
          HA    ASN   35 - QD1   LEU   40   9.83 +/- 0.59   0.238% *  0.1899% (0.45   0.02   0.02) =   0.001%
          HA    PRO   58 - QD1   LEU   40  13.13 +/- 1.73   0.100% *  0.3910% (0.92   0.02   0.02) =   0.001%
          HA    GLN   17 - QD1   LEU   40  10.94 +/- 0.99   0.183% *  0.1307% (0.31   0.02   0.02) =   0.000%
          HA    SER   37 - QD1   LEU   40  10.97 +/- 0.26   0.135% *  0.1307% (0.31   0.02   0.02) =   0.000%
          HA    ILE   56 - QD1   LEU   40  13.94 +/- 1.84   0.057% *  0.2062% (0.49   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU   40  15.40 +/- 1.81   0.023% *  0.3799% (0.90   0.02   0.02) =   0.000%
          HA    THR   46 - QD1   LEU   40  14.47 +/- 0.67   0.027% *  0.1590% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2545 (2.77, 0.91, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.682, support = 0.42, residual support = 0.527:
        T HB3   HIS  122 - QD1   LEU   40   6.74 +/- 3.02  67.525% * 95.4153% (0.69 10.00   0.42   0.53) =  98.712%  kept
          QE    LYS+ 121 - QD1   LEU   40   9.07 +/- 2.78  21.930% *  3.7752% (0.34  1.00   0.34   0.02) =   1.268%  kept
          QE    LYS+  74 - QD1   LEU   40  10.07 +/- 1.43   9.892% *  0.1156% (0.18  1.00   0.02   0.02) =   0.018%
          HB3   ASP-  78 - QD1   LEU   40  20.26 +/- 1.20   0.102% *  0.5921% (0.90  1.00   0.02   0.02) =   0.001%
          QB    CYS   50 - QD1   LEU   40  15.87 +/- 1.16   0.551% *  0.1019% (0.15  1.00   0.02   0.02) =   0.001%
    Distance limit 3.71 A violated in 13 structures by 2.03 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2546 (7.18, 0.91, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.909, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD1   LEU   40   8.91 +/- 1.11  38.948% * 27.6510% (1.00   0.02   0.02) =  43.168%  kept
          QD    PHE   59 - QD1   LEU   40   8.79 +/- 1.41  46.410% * 23.0961% (0.84   0.02   0.02) =  42.966%  kept
          HD1   TRP   27 - QD1   LEU   40  11.33 +/- 1.61  12.105% * 23.0961% (0.84   0.02   0.02) =  11.207%  kept
          HH2   TRP   49 - QD1   LEU   40  19.78 +/- 3.40   2.537% * 26.1568% (0.95   0.02   0.02) =   2.659%  kept
    Distance limit 3.74 A violated in 20 structures by 3.64 A, eliminated.
    Peak unassigned.
 
    Peak 2547 (7.18, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.915, support = 0.02, residual support = 0.02:
          HE21  GLN   30 - QD2   LEU   40   9.36 +/- 1.37  41.891% * 27.6510% (1.00   0.02   0.02) =  46.120%  kept
          QD    PHE   59 - QD2   LEU   40   9.84 +/- 1.48  35.814% * 23.0961% (0.84   0.02   0.02) =  32.934%  kept
          HD1   TRP   27 - QD2   LEU   40  11.19 +/- 2.00  18.659% * 23.0961% (0.84   0.02   0.02) =  17.159%  kept
          HH2   TRP   49 - QD2   LEU   40  20.15 +/- 3.87   3.636% * 26.1568% (0.95   0.02   0.02) =   3.787%  kept
    Distance limit 3.56 A violated in 20 structures by 4.38 A, eliminated.
    Peak unassigned.
 
    Peak 2548 (9.01, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.58, residual support = 20.2:
          HN    VAL   41 - QD2   LEU   40   2.61 +/- 0.64 100.000% *100.0000% (0.73   4.58  20.18) = 100.000%  kept
    Distance limit 3.09 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2549 (9.69, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.64, residual support = 10.3:
          HN    LEU   98 - QD2   LEU   40   2.91 +/- 0.53 100.000% *100.0000% (0.97   4.64  10.28) = 100.000%  kept
    Distance limit 3.52 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2550 (8.88, 1.48, 42.31 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.89, residual support = 104.7:
      O   HN    LEU   40 - HB3   LEU   40   2.50 +/- 0.27  99.837% * 99.9683% (0.98  10.0   4.89 104.69) = 100.000%  kept
          HN    GLY  101 - HB3   LEU   40   8.15 +/- 1.14   0.162% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
          HN    LEU   40 - HB3   LEU  115  19.07 +/- 1.59   0.001% *  0.0117% (0.12   1.0   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   LEU  115  20.87 +/- 1.09   0.000% *  0.0021% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2551 (8.89, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 4.71, residual support = 104.7:
      O   HN    LEU   40 - HB2   LEU   40   2.44 +/- 0.28  99.942% * 99.9908% (0.76  10.0   4.71 104.69) = 100.000%  kept
          HN    LEU   40 - HB2   LEU   67   9.40 +/- 1.90   0.058% *  0.0092% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2552 (0.17, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 3.99, residual support = 35.7:
          QG2   VAL   70 - HB2   LEU   40   2.59 +/- 0.87  87.108% * 99.9538% (0.80   3.99  35.66) =  99.993%  kept
          QG2   VAL   70 - HB2   LEU   67   4.75 +/- 1.83  12.892% *  0.0462% (0.07   0.02   0.40) =   0.007%
    Distance limit 3.51 A violated in 1 structures by 0.12 A, kept.
 
    Peak 2553 (0.18, 1.48, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.99, residual support = 35.7:
        T QG2   VAL   70 - HB3   LEU   40   3.12 +/- 0.62  99.950% * 99.8828% (0.98 10.00   3.99  35.66) = 100.000%  kept
        T QG2   VAL   70 - HB3   LEU  115  12.34 +/- 1.46   0.050% *  0.1172% (0.12 10.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2554 (4.37, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.201, support = 5.14, residual support = 101.6:
      O T HA    LEU   40 - HG    LEU   40   3.11 +/- 0.39  66.919% * 78.5524% (0.18  10.0 10.00   5.29 104.69) =  96.669%  kept
          HA    LYS+  99 - HG    LEU   40   4.44 +/- 1.05  14.975% * 11.9220% (0.98   1.0  1.00   0.54  11.63) =   3.283%  kept
          HA    PHE   59 - HG    LEU  115   4.63 +/- 1.00  12.097% *  0.0886% (0.20   1.0  1.00   0.02  29.11) =   0.020%
          HA    ILE   56 - HG    LEU  115   5.77 +/- 1.32   4.211% *  0.2253% (0.50   1.0  1.00   0.02   0.02) =   0.017%
          HA    ASP- 113 - HG    LEU  115   6.66 +/- 1.16   1.413% *  0.2397% (0.53   1.0  1.00   0.02   0.02) =   0.006%
        T HA    ASN   35 - HG    LEU   40  10.49 +/- 0.63   0.048% *  4.0226% (0.90   1.0 10.00   0.02   0.02) =   0.004%
          HA    LEU  123 - HG    LEU   40  12.59 +/- 3.85   0.089% *  0.3428% (0.76   1.0  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HG    LEU  115  12.49 +/- 1.03   0.023% *  0.1985% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU   73  11.13 +/- 1.19   0.042% *  0.0820% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU   73   9.35 +/- 1.18   0.131% *  0.0146% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU   73  12.41 +/- 0.92   0.022% *  0.0750% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   40  14.13 +/- 1.40   0.011% *  0.1530% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   40  17.97 +/- 2.01   0.003% *  0.3891% (0.87   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU   40 - HG    LEU  115  18.33 +/- 1.52   0.002% *  0.4548% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - HG    LEU  115  25.44 +/- 1.37   0.000% *  2.3289% (0.52   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   40  20.19 +/- 0.91   0.001% *  0.4141% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  115  19.05 +/- 1.67   0.002% *  0.2545% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   73  17.60 +/- 1.42   0.003% *  0.0725% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   73  15.43 +/- 1.17   0.005% *  0.0285% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU   73  19.03 +/- 3.32   0.002% *  0.0639% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   73  23.15 +/- 1.36   0.000% *  0.0772% (0.17   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2556 (0.18, 1.46, 26.98 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.88, residual support = 35.7:
        T QG2   VAL   70 - HG    LEU   40   3.12 +/- 0.65  97.629% * 99.2404% (0.98 10.00   5.88  35.66) =  99.995%  kept
        T QG2   VAL   70 - HG    LEU   73   6.76 +/- 0.95   2.320% *  0.1850% (0.18 10.00   0.02   0.02) =   0.004%
        T QG2   VAL   70 - HG    LEU  115  12.19 +/- 1.18   0.051% *  0.5746% (0.57 10.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2557 (0.17, 0.91, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.47, residual support = 35.7:
          QG2   VAL   70 - QD1   LEU   40   1.82 +/- 0.48 100.000% *100.0000% (0.80   3.47  35.66) = 100.000%  kept
    Distance limit 2.87 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2558 (0.20, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.47, residual support = 35.7:
          QG2   VAL   70 - QD2   LEU   40   3.24 +/- 0.62 100.000% *100.0000% (0.53   4.47  35.66) = 100.000%  kept
    Distance limit 3.18 A violated in 1 structures by 0.27 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   9.51 +/- 1.06 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.57 A violated in 20 structures by 6.94 A, eliminated.
    Peak unassigned.
 
    Peak 2560 (1.47, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 4.65, residual support = 104.7:
      O T HG    LEU   40 - QD2   LEU   40   2.11 +/- 0.02  74.653% * 41.4375% (0.65  10.0 10.00   4.16 104.69) =  68.173%  kept
      O   HB3   LEU   40 - QD2   LEU   40   2.71 +/- 0.49  25.140% * 57.4464% (0.90  10.0  1.00   5.69 104.69) =  31.827%  kept
        T HG    LEU   73 - QD2   LEU   40   8.05 +/- 1.50   0.060% *  0.1268% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU   40   7.77 +/- 2.14   0.106% *  0.0490% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QD2   LEU   40  13.01 +/- 1.39   0.002% *  0.6391% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD2   LEU   40   8.29 +/- 1.04   0.029% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD2   LEU   40  10.39 +/- 1.60   0.007% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD2   LEU   40  12.69 +/- 0.96   0.002% *  0.1781% (0.28   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD2   LEU   40  12.87 +/- 1.35   0.002% *  0.0414% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2561 (1.75, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.257, support = 2.22, residual support = 11.6:
        T HB2   LYS+  99 - QD2   LEU   40   3.00 +/- 0.56  54.764% * 56.9284% (0.28 10.00   2.43  11.63) =  61.921%  kept
        T HB3   LYS+  99 - QD2   LEU   40   3.26 +/- 1.08  44.819% * 42.7757% (0.22 10.00   1.88  11.63) =  38.078%  kept
          HB    VAL   43 - QD2   LEU   40   7.87 +/- 1.14   0.388% *  0.0768% (0.38  1.00   0.02   0.02) =   0.001%
          QG1   ILE   56 - QD2   LEU   40  11.84 +/- 1.68   0.025% *  0.0316% (0.15  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD2   LEU   40  16.87 +/- 1.95   0.003% *  0.1242% (0.61  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   40  20.40 +/- 1.53   0.001% *  0.0632% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2562 (3.47, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.296, support = 0.02, residual support = 0.431:
          HB2   HIS  122 - QD2   LEU   40   7.42 +/- 2.70  72.350% * 19.5836% (0.31   0.02   0.53) =  80.088%  kept
          HA    LEU   63 - QD2   LEU   40   9.00 +/- 1.07  25.777% * 11.1120% (0.18   0.02   0.02) =  16.190%  kept
          HA    LYS+ 112 - QD2   LEU   40  15.85 +/- 1.15   1.299% * 35.9222% (0.57   0.02   0.02) =   2.638%  kept
          HB2   HIS   22 - QD2   LEU   40  17.44 +/- 1.67   0.574% * 33.3822% (0.53   0.02   0.02) =   1.083%  kept
    Distance limit 3.52 A violated in 20 structures by 3.11 A, eliminated.
    Peak unassigned.
 
    Peak 2563 (3.02, 0.98, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 3.43, residual support = 11.6:
          QE    LYS+  99 - QD2   LEU   40   2.98 +/- 0.82  99.457% * 98.3945% (0.69   3.43  11.63) =  99.996%  kept
          QE    LYS+ 102 - QD2   LEU   40   8.82 +/- 0.73   0.291% *  0.8348% (1.00   0.02   0.02) =   0.002%
          QE    LYS+  38 - QD2   LEU   40   8.97 +/- 1.13   0.252% *  0.7707% (0.92   0.02   0.02) =   0.002%
    Distance limit 3.93 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2564 (2.37, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.837, support = 0.752, residual support = 0.854:
        T HB3   PHE   97 - QD2   LEU   40   3.60 +/- 1.07  92.117% * 86.3832% (0.84 10.00   0.75   0.86) =  98.770%  kept
          HB2   GLU- 100 - QD2   LEU   40   6.80 +/- 0.81   7.635% * 12.9799% (0.99  1.00   0.95   0.02) =   1.230%  kept
          QG    GLN   32 - QD2   LEU   40  11.89 +/- 0.58   0.152% *  0.0941% (0.34  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QD2   LEU   40  15.19 +/- 1.06   0.032% *  0.2609% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD2   LEU   40  15.11 +/- 1.98   0.050% *  0.1035% (0.38  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD2   LEU   40  17.25 +/- 1.47   0.015% *  0.1784% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 1 structures by 0.11 A, kept.
 
    Peak 2565 (1.95, 0.91, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.44, residual support = 104.7:
      O T HB2   LEU   40 - QD1   LEU   40   2.46 +/- 0.46  97.682% * 99.2435% (0.84  10.0 10.00   4.44 104.69) =  99.989%  kept
        T HB2   LEU   67 - QD1   LEU   40   6.22 +/- 1.98   2.054% *  0.4885% (0.41   1.0 10.00   0.02   0.02) =   0.010%
          HB3   MET   96 - QD1   LEU   40   8.26 +/- 0.97   0.231% *  0.0533% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   LEU   40  10.57 +/- 1.33   0.025% *  0.0816% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD1   LEU   40  18.58 +/- 2.00   0.001% *  0.1097% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD1   LEU   40  13.74 +/- 1.42   0.006% *  0.0235% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2566 (1.96, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.44, residual support = 104.7:
      O   HB2   LEU   40 - QD2   LEU   40   2.75 +/- 0.38  99.376% * 96.6350% (0.34  10.0  1.00   5.44 104.69) =  99.984%  kept
        T HB2   LEU   67 - QD2   LEU   40   8.12 +/- 2.13   0.586% *  2.5407% (0.90   1.0 10.00   0.02   0.02) =   0.015%
          HB    VAL   18 - QD2   LEU   40  12.05 +/- 1.37   0.023% *  0.2833% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU   40  13.90 +/- 1.19   0.010% *  0.1490% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU   40  16.66 +/- 2.05   0.003% *  0.1379% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU   40  19.66 +/- 2.66   0.002% *  0.2541% (0.90   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2567 (1.47, 0.91, 26.66 ppm):
    9 chemical-shift based assignments, quality = 0.736, support = 4.44, residual support = 104.7:
      O   HG    LEU   40 - QD1   LEU   40   2.11 +/- 0.02  70.735% * 41.4524% (0.65  10.0  1.00   4.30 104.69) =  64.142%  kept
      O T HB3   LEU   40 - QD1   LEU   40   2.52 +/- 0.31  28.518% * 57.4671% (0.90  10.0 10.00   4.68 104.69) =  35.851%  kept
        T HG    LEU   67 - QD1   LEU   40   6.07 +/- 1.94   0.668% *  0.4897% (0.76   1.0 10.00   0.02   0.02) =   0.007%
        T HB3   LEU  115 - QD1   LEU   40  11.96 +/- 1.39   0.003% *  0.4145% (0.65   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD1   LEU   40   9.73 +/- 1.83   0.013% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD1   LEU   40   7.59 +/- 1.09   0.047% *  0.0127% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU  115 - QD1   LEU   40  11.95 +/- 1.43   0.003% *  0.0639% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   40  10.10 +/- 1.31   0.009% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU   40  11.68 +/- 0.91   0.003% *  0.0178% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2568 (0.91, 1.94, 42.31 ppm):
    6 chemical-shift based assignments, quality = 0.974, support = 4.44, residual support = 103.3:
      O T QD1   LEU   40 - HB2   LEU   40   2.46 +/- 0.46  72.558% * 92.1745% (1.00  10.0 10.00   4.44 104.69) =  97.135%  kept
      O   QD2   LEU   67 - HB2   LEU   67   3.02 +/- 0.25  25.867% *  7.6201% (0.08  10.0  1.00   4.39  56.91) =   2.863%  kept
        T QD1   LEU   40 - HB2   LEU   67   6.22 +/- 1.98   1.164% *  0.0850% (0.09   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   67 - HB2   LEU   40   6.76 +/- 1.56   0.409% *  0.0827% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   40  16.88 +/- 0.97   0.001% *  0.0346% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   67  17.55 +/- 1.74   0.001% *  0.0032% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2569 (0.91, 1.48, 42.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.68, residual support = 104.7:
      O T QD1   LEU   40 - HB3   LEU   40   2.52 +/- 0.31  98.874% * 99.7412% (1.00  10.0 10.00   4.68 104.69) =  99.999%  kept
          QD2   LEU   67 - HB3   LEU   40   6.98 +/- 1.56   1.007% *  0.0895% (0.90   1.0  1.00   0.02   0.02) =   0.001%
        T QD1   LEU   40 - HB3   LEU  115  11.96 +/- 1.39   0.016% *  0.1170% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU  115   8.42 +/- 0.62   0.088% *  0.0044% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB3   LEU  115  13.09 +/- 2.31   0.013% *  0.0105% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU   40  16.95 +/- 0.99   0.001% *  0.0374% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2570 (0.99, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.867, support = 4.16, residual support = 104.7:
      O T QD2   LEU   40 - HG    LEU   40   2.11 +/- 0.02  79.082% * 96.1741% (0.87  10.0 10.00   4.16 104.69) =  99.991%  kept
        T QD1   LEU   67 - HG    LEU   40   7.01 +/- 2.63   0.447% *  0.9261% (0.84   1.0 10.00   0.02   0.02) =   0.005%
          QD1   ILE  119 - HG    LEU  115   3.30 +/- 1.12  19.990% *  0.0112% (0.10   1.0  1.00   0.02   9.71) =   0.003%
        T QD2   LEU   40 - HG    LEU   73   8.05 +/- 1.50   0.055% *  0.1793% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   67 - HG    LEU  115  11.50 +/- 2.59   0.007% *  0.5362% (0.48   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   67 - HG    LEU   73   9.32 +/- 1.53   0.018% *  0.1727% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   40   8.08 +/- 0.81   0.032% *  0.0805% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   40   7.45 +/- 1.00   0.074% *  0.0194% (0.18   1.0  1.00   0.02   1.77) =   0.000%
          HB    VAL   75 - HG    LEU   73   7.63 +/- 0.93   0.054% *  0.0179% (0.16   1.0  1.00   0.02   0.43) =   0.000%
        T QD2   LEU   40 - HG    LEU  115  13.01 +/- 1.39   0.002% *  0.5568% (0.50   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   73   5.93 +/- 0.85   0.214% *  0.0036% (0.03   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG    LEU   40  16.08 +/- 1.11   0.000% *  0.6725% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG    LEU  115  15.49 +/- 1.95   0.001% *  0.3893% (0.35   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG    LEU   73   9.20 +/- 0.52   0.012% *  0.0125% (0.11   1.0  1.00   0.02  42.16) =   0.000%
          QG2   ILE  103 - HG    LEU  115  12.72 +/- 0.99   0.002% *  0.0466% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   40  11.78 +/- 1.66   0.004% *  0.0194% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU   40  14.84 +/- 1.29   0.001% *  0.0962% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   73  11.63 +/- 1.17   0.003% *  0.0150% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU  115  16.93 +/- 1.86   0.000% *  0.0557% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU  115  16.75 +/- 1.78   0.001% *  0.0112% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   73  14.00 +/- 1.41   0.001% *  0.0036% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2571 (0.56, 0.76, 22.78 ppm):
    18 chemical-shift based assignments, quality = 0.865, support = 3.9, residual support = 74.2:
      O T QG2   VAL   41 - QG1   VAL   41   2.06 +/- 0.06  75.241% * 93.0197% (0.87  10.0 10.00   3.94  74.76) =  98.835%  kept
          QD2   LEU   98 - QG1   VAL   41   2.90 +/- 0.57  17.772% *  4.5758% (0.69   1.0  1.00   1.24  28.00) =   1.148%  kept
        T QD1   LEU   73 - QG1   VAL   41   5.11 +/- 1.00   2.897% *  0.3310% (0.31   1.0 10.00   0.02   0.02) =   0.014%
        T QD2   LEU   98 - QD2   LEU  104   5.75 +/- 1.34   3.260% *  0.0396% (0.04   1.0 10.00   0.02   6.70) =   0.002%
        T QD1   LEU   63 - QG2   VAL   18   6.48 +/- 1.21   0.155% *  0.2529% (0.24   1.0 10.00   0.02   0.02) =   0.001%
        T QG2   VAL   41 - QD2   LEU  104   7.45 +/- 1.33   0.456% *  0.0500% (0.05   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG2   VAL   18   7.50 +/- 0.70   0.040% *  0.2529% (0.24   1.0 10.00   0.02   0.02) =   0.000%
        T QG2   VAL   41 - QG2   VAL   18   9.30 +/- 0.90   0.010% *  0.7109% (0.66   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QG2   VAL   18   7.14 +/- 1.17   0.067% *  0.0735% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   9.24 +/- 0.68   0.010% *  0.3310% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QG1   VAL   41   9.15 +/- 1.24   0.013% *  0.0962% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  10.33 +/- 1.74   0.031% *  0.0178% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG2   VAL   18  10.22 +/- 1.75   0.008% *  0.0563% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - QG2   VAL   18  11.10 +/- 1.37   0.004% *  0.0563% (0.52   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104   8.89 +/- 0.78   0.012% *  0.0178% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG1   VAL   41  12.19 +/- 2.46   0.003% *  0.0737% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU  104   8.48 +/- 1.16   0.021% *  0.0052% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QD2   LEU  104  16.33 +/- 3.37   0.001% *  0.0396% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2572 (1.30, 0.55, 21.65 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 1.44, residual support = 9.27:
          QB    ALA   34 - QG2   VAL   41   2.95 +/- 0.53  99.335% * 83.5467% (0.18   1.44   9.27) =  99.982%  kept
          QG2   THR   77 - QG2   VAL   41  11.43 +/- 1.32   0.074% *  6.2841% (0.95   0.02   0.02) =   0.006%
          HG2   LYS+  99 - QG2   VAL   41   8.07 +/- 0.60   0.355% *  1.3147% (0.20   0.02   0.02) =   0.006%
          QG2   THR   23 - QG2   VAL   41  10.46 +/- 0.83   0.092% *  2.9783% (0.45   0.02   0.02) =   0.003%
          HG2   LYS+  38 - QG2   VAL   41   9.30 +/- 0.63   0.125% *  1.8470% (0.28   0.02   0.02) =   0.003%
          QB    ALA   88 - QG2   VAL   41  13.58 +/- 1.44   0.019% *  4.0292% (0.61   0.02   0.02) =   0.001%
    Distance limit 3.17 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2573 (1.42, 0.55, 21.65 ppm):
    13 chemical-shift based assignments, quality = 0.341, support = 2.61, residual support = 27.9:
        T QB    LEU   98 - QG2   VAL   41   3.71 +/- 0.95  66.762% * 94.8801% (0.34 10.00   2.62  28.00) =  99.479%  kept
          HG    LEU   73 - QG2   VAL   41   4.31 +/- 0.94  30.504% *  1.0617% (0.31  1.00   0.25   0.02) =   0.509%  kept
          HG12  ILE   19 - QG2   VAL   41   9.56 +/- 1.95   1.827% *  0.2775% (1.00  1.00   0.02   0.02) =   0.008%
        T HB2   LEU   80 - QG2   VAL   41  12.16 +/- 2.29   0.077% *  2.2273% (0.80 10.00   0.02   0.02) =   0.003%
          HB3   LEU   67 - QG2   VAL   41  10.63 +/- 1.68   0.224% *  0.1911% (0.69  1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - QG2   VAL   41  11.83 +/- 2.91   0.087% *  0.2684% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG2   VAL   41  10.32 +/- 0.83   0.136% *  0.1687% (0.61  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   VAL   41   9.97 +/- 1.00   0.186% *  0.0619% (0.22  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   VAL   41  12.67 +/- 0.93   0.046% *  0.2323% (0.84  1.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   VAL   41  13.28 +/- 0.86   0.030% *  0.1354% (0.49  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QG2   VAL   41  15.33 +/- 0.97   0.015% *  0.2726% (0.98  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   VAL   41  14.79 +/- 2.45   0.022% *  0.1799% (0.65  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   41  14.31 +/- 2.94   0.084% *  0.0429% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 2 structures by 0.28 A, kept.
 
    Peak 2574 (8.98, 0.55, 21.65 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HN    LYS+ 106 - QG2   VAL   41  11.56 +/- 0.84 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 2.97 A violated in 20 structures by 8.59 A, eliminated.
    Peak unassigned.
 
    Peak 2575 (9.01, 1.84, 34.57 ppm):
    1 chemical-shift based assignment, quality = 0.472, support = 4.51, residual support = 74.8:
      O   HN    VAL   41 - HB    VAL   41   2.87 +/- 0.32 100.000% *100.0000% (0.47  10.0   4.51  74.76) = 100.000%  kept
    Distance limit 3.41 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2577 (9.70, 0.76, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.971, support = 2.71, residual support = 27.8:
          HN    LEU   98 - QG1   VAL   41   3.90 +/- 0.75  70.627% * 97.0843% (0.98   2.72  28.00) =  98.997%  kept
          HN    LEU   98 - QD2   LEU  104   5.15 +/- 1.18  29.265% *  2.3710% (0.05   1.24   6.70) =   1.002%  kept
          HN    LEU   98 - QG2   VAL   18  11.90 +/- 0.98   0.108% *  0.5447% (0.75   0.02   0.02) =   0.001%
    Distance limit 3.70 A violated in 1 structures by 0.09 A, kept.
 
    Peak 2578 (7.28, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.551, support = 0.02, residual support = 0.02:
          QD    PHE   60 - HB    VAL   41  12.27 +/- 1.32  42.800% * 34.1212% (0.66   0.02   0.02) =  61.313%  kept
          QE    PHE   59 - HB    VAL   41  12.62 +/- 2.38  43.049% * 12.0603% (0.23   0.02   0.02) =  21.798%  kept
          HN    LYS+  66 - HB    VAL   41  15.63 +/- 0.74  11.173% * 29.5320% (0.57   0.02   0.02) =  13.853%  kept
          HN    LYS+  81 - HB    VAL   41  19.66 +/- 2.23   2.978% * 24.2865% (0.47   0.02   0.02) =   3.037%  kept
    Distance limit 3.64 A violated in 20 structures by 6.86 A, eliminated.
    Peak unassigned.
 
    Peak 2579 (8.94, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 5.15, residual support = 24.0:
      O   HN    VAL   42 - HA    VAL   41   2.21 +/- 0.04  99.719% * 99.8070% (0.98  10.0   5.15  24.01) = 100.000%  kept
          HN    LEU   73 - HA    VAL   41   6.32 +/- 0.67   0.259% *  0.0998% (0.98   1.0   0.02   0.02) =   0.000%
          HN    ILE   19 - HA    VAL   41   9.43 +/- 0.74   0.020% *  0.0618% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   41  13.45 +/- 0.52   0.002% *  0.0314% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 5.04, residual support = 39.4:
      O   HN    VAL   43 - HA    VAL   42   2.21 +/- 0.02  99.999% * 99.9765% (0.90  10.0   5.04  39.44) = 100.000%  kept
          HN    VAL   43 - HA    PHE   55  17.74 +/- 1.63   0.001% *  0.0235% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 2.74 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 = 0.344, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - QG2   VAL   41   2.25 +/- 0.90  99.615% * 16.0745% (0.34   0.02   0.02) =  99.058%  kept
          QG2   VAL   83 - QG2   VAL   41   8.72 +/- 1.30   0.302% * 37.7342% (0.80   0.02   0.02) =   0.704%  kept
          QD1   ILE   89 - QG2   VAL   41  10.34 +/- 1.62   0.083% * 46.1912% (0.98   0.02   0.02) =   0.238%
    Distance limit 2.95 A violated in 1 structures by 0.16 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 = 0.733, support = 3.61, residual support = 19.4:
        T HB    VAL   41 - HB    VAL   42   6.11 +/- 0.36  12.018% * 93.0965% (0.84 10.00   4.19  24.01) =  74.962%  kept
          HB2   LEU   71 - HB    VAL   42   4.21 +/- 0.78  84.619% *  4.4131% (0.42  1.00   1.88   5.44) =  25.019%  kept
        T QB    LYS+ 102 - HB    VAL   42  12.49 +/- 0.88   0.126% *  0.6240% (0.56 10.00   0.02   0.02) =   0.005%
          QB    LYS+  66 - HB    VAL   42   9.70 +/- 0.68   0.636% *  0.0963% (0.87  1.00   0.02   0.02) =   0.004%
          HB3   PRO   52 - HB2   LYS+ 112  10.67 +/- 2.90   1.011% *  0.0413% (0.37  1.00   0.02   0.02) =   0.003%
          HG2   PRO   93 - HB2   LYS+ 112  10.36 +/- 2.44   0.660% *  0.0591% (0.53  1.00   0.02   0.02) =   0.003%
          HG12  ILE  103 - HB    VAL   42  10.78 +/- 1.22   0.377% *  0.0837% (0.75  1.00   0.02   0.02) =   0.002%
          QB    LYS+  65 - HB    VAL   42  11.19 +/- 0.42   0.262% *  0.0508% (0.46  1.00   0.02   0.02) =   0.001%
          HG2   PRO   93 - HB    VAL   42  15.40 +/- 1.14   0.043% *  0.0837% (0.75  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   LYS+ 112  14.88 +/- 1.31   0.050% *  0.0679% (0.61  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   LYS+ 112  15.22 +/- 2.30   0.067% *  0.0413% (0.37  1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HB2   LYS+ 112  23.41 +/- 1.53   0.004% *  0.6570% (0.59 10.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   LYS+ 112  15.07 +/- 1.84   0.063% *  0.0358% (0.32  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB    VAL   42  15.91 +/- 2.31   0.037% *  0.0585% (0.53  1.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HB2   LYS+ 112  22.90 +/- 0.63   0.003% *  0.4404% (0.40 10.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB    VAL   42  19.26 +/- 1.66   0.015% *  0.0585% (0.53  1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LYS+ 112  22.01 +/- 1.30   0.005% *  0.0591% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   LYS+ 112  23.57 +/- 1.97   0.003% *  0.0331% (0.30  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 8 structures by 0.84 A, kept.
 
    Peak 2584 (8.96, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.641, support = 5.16, residual support = 84.9:
          HN    VAL   42 - QG2   VAL   42   3.18 +/- 0.29  87.650% * 77.0100% (0.64   5.30  88.10) =  96.323%  kept
          HN    LEU   73 - QG2   VAL   42   4.86 +/- 0.89  11.377% * 22.6360% (0.64   1.56   1.68) =   3.675%  kept
          HN    LYS+ 106 - QG2   VAL   42   8.36 +/- 0.82   0.417% *  0.2905% (0.64   0.02   0.02) =   0.002%
          HN    ILE   19 - QG2   VAL   42   7.55 +/- 0.90   0.557% *  0.0635% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.28 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2585 (9.17, 0.15, 20.83 ppm):
    1 chemical-shift based assignment, quality = 0.718, support = 5.14, residual support = 39.4:
          HN    VAL   43 - QG2   VAL   42   3.64 +/- 0.25 100.000% *100.0000% (0.72   5.14  39.44) = 100.000%  kept
    Distance limit 3.81 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2586 (4.44, 0.37, 21.48 ppm):
    14 chemical-shift based assignments, quality = 0.961, support = 3.99, residual support = 87.6:
      O T HA    VAL   42 - QG1   VAL   42   2.65 +/- 0.20  81.793% * 91.4846% (0.97  10.0 10.00   4.00  88.10) =  99.325%  kept
          HA    THR   46 - QB    ALA   47   3.82 +/- 0.12   9.247% *  5.4631% (0.44   1.0  1.00   2.63  12.66) =   0.671%  kept
          HA    GLN   90 - QB    ALA   47   6.07 +/- 2.26   8.711% *  0.0297% (0.31   1.0  1.00   0.02   0.02) =   0.003%
        T HA    GLN   17 - QG1   VAL   42   8.56 +/- 0.81   0.086% *  0.5549% (0.59   1.0 10.00   0.02   0.02) =   0.001%
        T HA    PHE   55 - QB    ALA   47  10.69 +/- 1.10   0.028% *  0.4473% (0.47   1.0 10.00   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG1   VAL   42  13.73 +/- 1.73   0.014% *  0.5179% (0.55   1.0 10.00   0.02   0.02) =   0.000%
        T HA    VAL   42 - QB    ALA   47  14.16 +/- 1.11   0.005% *  0.7900% (0.83   1.0 10.00   0.02   0.02) =   0.000%
          HA    THR   46 - QG1   VAL   42   9.73 +/- 0.40   0.037% *  0.0481% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   47  10.20 +/- 2.22   0.060% *  0.0220% (0.23   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   17 - QB    ALA   47  16.50 +/- 1.50   0.002% *  0.4792% (0.51   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QG1   VAL   42  12.51 +/- 2.18   0.010% *  0.0254% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG1   VAL   42  13.87 +/- 0.50   0.004% *  0.0555% (0.59   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QG1   VAL   42  14.92 +/- 1.05   0.003% *  0.0343% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   47  25.64 +/- 1.32   0.000% *  0.0479% (0.51   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2587 (7.28, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.91, support = 1.64, residual support = 4.79:
          QD    PHE   60 - QG1   VAL   42   4.66 +/- 1.12  60.778% * 89.1169% (0.93   1.68   4.96) =  96.476%  kept
          QE    PHE   59 - QG1   VAL   42   6.05 +/- 2.13  29.045% *  6.5312% (0.33   0.35   0.02) =   3.379%  kept
          HN    LYS+  66 - QG1   VAL   42   8.07 +/- 0.49   4.284% *  0.9169% (0.81   0.02   0.02) =   0.070%
          HN    LYS+  81 - QB    ALA   47  10.88 +/- 2.54   3.211% *  0.6511% (0.57   0.02   0.02) =   0.037%
          QD    PHE   60 - QB    ALA   47   9.39 +/- 1.10   2.052% *  0.9148% (0.80   0.02   0.02) =   0.033%
          QE    PHE   59 - QB    ALA   47  11.75 +/- 1.30   0.529% *  0.3233% (0.28   0.02   0.02) =   0.003%
          HN    LYS+  81 - QG1   VAL   42  15.46 +/- 1.01   0.066% *  0.7540% (0.66   0.02   0.02) =   0.001%
          HN    LYS+  66 - QB    ALA   47  17.92 +/- 0.98   0.033% *  0.7918% (0.70   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 9 structures by 1.19 A, kept.
 
    Peak 2588 (8.96, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.773, support = 3.77, residual support = 56.4:
          HN    VAL   42 - QG1   VAL   42   3.51 +/- 0.17  22.984% * 84.0250% (0.77   5.41  88.10) =  63.283%  kept
          HN    LEU   73 - QG1   VAL   42   2.73 +/- 0.68  76.046% * 14.7333% (0.77   0.95   1.68) =  36.713%  kept
          HN    ILE   19 - QG1   VAL   42   5.97 +/- 0.74   0.718% *  0.0679% (0.17   0.02   0.02) =   0.002%
          HN    LYS+ 106 - QG1   VAL   42   9.02 +/- 0.59   0.125% *  0.3106% (0.77   0.02   0.02) =   0.001%
          HN    LYS+ 106 - QB    ALA   47  15.01 +/- 2.78   0.107% *  0.2682% (0.67   0.02   0.02) =   0.001%
          HN    LEU   73 - QB    ALA   47  12.92 +/- 0.61   0.010% *  0.2682% (0.67   0.02   0.02) =   0.000%
          HN    VAL   42 - QB    ALA   47  15.33 +/- 0.99   0.004% *  0.2682% (0.67   0.02   0.02) =   0.000%
          HN    ILE   19 - QB    ALA   47  14.49 +/- 1.23   0.006% *  0.0587% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2589 (9.19, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.397, support = 5.14, residual support = 39.4:
          HN    VAL   43 - QG1   VAL   42   2.78 +/- 0.20  99.946% * 99.3961% (0.40   5.14  39.44) = 100.000%  kept
          HN    VAL   43 - QB    ALA   47  12.52 +/- 1.06   0.020% *  0.3337% (0.34   0.02   0.02) =   0.000%
          HN    VAL   24 - QG1   VAL   42  11.88 +/- 1.24   0.020% *  0.1450% (0.15   0.02   0.02) =   0.000%
          HN    VAL   24 - QB    ALA   47  12.78 +/- 1.70   0.015% *  0.1252% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2590 (9.40, 0.37, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.43, support = 0.02, residual support = 0.02:
          HN    LEU  104 - QG1   VAL   42   8.23 +/- 0.63  94.457% * 53.6601% (0.43   0.02   0.02) =  95.176%  kept
          HN    LEU  104 - QB    ALA   47  17.26 +/- 2.91   5.543% * 46.3399% (0.37   0.02   0.02) =   4.824%  kept
    Distance limit 3.72 A violated in 20 structures by 4.37 A, eliminated.
    Peak unassigned.
 
    Peak 2591 (6.65, 0.37, 21.60 ppm):
    6 chemical-shift based assignments, quality = 0.292, support = 3.74, residual support = 14.7:
          HN    TRP   49 - QB    ALA   47   2.59 +/- 0.21  99.617% * 95.0746% (0.29   3.74  14.66) =  99.996%  kept
          HE22  GLN   30 - QG1   VAL   42   7.33 +/- 0.81   0.288% *  0.9150% (0.53   0.02   0.02) =   0.003%
          HD22  ASN   69 - QG1   VAL   42   9.54 +/- 1.36   0.090% *  1.0526% (0.61   0.02   0.02) =   0.001%
          HE22  GLN   30 - QB    ALA   47  16.57 +/- 1.17   0.002% *  1.1947% (0.69   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   42  15.11 +/- 1.30   0.003% *  0.3889% (0.22   0.02   0.02) =   0.000%
          HD22  ASN   69 - QB    ALA   47  22.25 +/- 1.59   0.000% *  1.3742% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2592 (7.03, 0.37, 21.60 ppm):
    4 chemical-shift based assignments, quality = 0.392, support = 2.35, residual support = 10.9:
      O   HN    ALA   47 - QB    ALA   47   2.46 +/- 0.12  87.521% * 93.4110% (0.39  10.0   2.36  11.03) =  99.051%  kept
          QD    PHE   95 - QG1   VAL   42   3.69 +/- 0.69  12.435% *  6.2982% (0.70   1.0   0.75   1.45) =   0.949%  kept
          QD    PHE   95 - QB    ALA   47   9.42 +/- 0.84   0.034% *  0.2193% (0.91   1.0   0.02   0.02) =   0.000%
          HN    ALA   47 - QG1   VAL   42  11.50 +/- 0.56   0.009% *  0.0715% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2593 (1.37, 0.76, 21.16 ppm):
    15 chemical-shift based assignments, quality = 0.566, support = 3.57, residual support = 28.0:
          HB    VAL   42 - QG1   VAL   43   5.38 +/- 0.65   7.466% * 66.1231% (0.62  1.00   4.73  39.44) =  58.263%  kept
          HB3   ASP-  44 - QG1   VAL   43   6.35 +/- 0.78   6.745% * 27.7691% (0.34  1.00   3.64  15.89) =  22.104%  kept
        T HB3   LEU   73 - QG1   VAL   43   4.35 +/- 1.39  50.482% *  3.1091% (0.69 10.00   0.02   8.20) =  18.524%  kept
          HG    LEU   98 - QG1   VAL   43   4.99 +/- 1.38  31.373% *  0.2632% (0.58  1.00   0.02   0.02) =   0.974%  kept
          HB3   PRO   93 - QG1   VAL   43  10.11 +/- 1.76   1.406% *  0.3258% (0.72  1.00   0.02   0.02) =   0.054%
          HG3   LYS+ 106 - QG1   VAL   43   8.24 +/- 1.24   1.125% *  0.3848% (0.85  1.00   0.02   0.02) =   0.051%
          QB    ALA   84 - QG1   VAL   43   9.69 +/- 1.31   0.356% *  0.3109% (0.69  1.00   0.02   0.02) =   0.013%
          HB3   LEU   80 - QG1   VAL   43   9.47 +/- 2.63   0.581% *  0.0805% (0.18  1.00   0.02   0.02) =   0.006%
          HG3   LYS+ 102 - QG1   VAL   43  11.20 +/- 1.68   0.106% *  0.3258% (0.72  1.00   0.02   0.02) =   0.004%
          HG3   LYS+  33 - QG1   VAL   43  10.74 +/- 1.04   0.109% *  0.2468% (0.54  1.00   0.02   0.02) =   0.003%
          HB2   LEU   63 - QG1   VAL   43  10.10 +/- 0.91   0.193% *  0.1131% (0.25  1.00   0.02   0.02) =   0.003%
          HG3   LYS+  65 - QG1   VAL   43  15.00 +/- 0.88   0.016% *  0.2795% (0.62  1.00   0.02   0.02) =   0.001%
          QB    ALA  124 - QG1   VAL   43  15.47 +/- 2.12   0.015% *  0.2140% (0.47  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QG1   VAL   43  17.19 +/- 1.58   0.009% *  0.3529% (0.78  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   43  16.03 +/- 2.50   0.017% *  0.1014% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 1 structures by 0.25 A, kept.
 
    Peak 2594 (6.33, 0.76, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.281, support = 1.89, residual support = 10.5:
        T HH2   TRP   27 - QG1   VAL   43   3.15 +/- 0.79  70.141% * 49.3669% (0.31 10.00   1.43  10.54) =  69.608%  kept
        T HZ3   TRP   27 - QG1   VAL   43   3.73 +/- 0.80  29.859% * 50.6331% (0.22 10.00   2.96  10.54) =  30.392%  kept
    Distance limit 2.92 A violated in 2 structures by 0.22 A, kept.
 
    Peak 2595 (9.17, 0.76, 21.16 ppm):
    1 chemical-shift based assignment, quality = 0.804, support = 5.3, residual support = 61.3:
          HN    VAL   43 - QG1   VAL   43   2.64 +/- 0.60 100.000% *100.0000% (0.80   5.30  61.34) = 100.000%  kept
    Distance limit 3.20 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2596 (8.80, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.385, support = 3.67, residual support = 15.9:
          HN    ASP-  44 - QG2   VAL   43   2.97 +/- 0.41  89.406% * 82.6331% (0.39   3.71  15.89) =  98.120%  kept
          HN    ASN   28 - QD2   LEU   31   4.81 +/- 0.66   9.017% * 15.6340% (0.18   1.50  17.10) =   1.872%  kept
          HN    ASN   28 - QG2   VAL   43   7.52 +/- 0.84   0.572% *  0.7266% (0.63   0.02   0.02) =   0.006%
          HN    ASP-  44 - QD2   LEU   31   7.33 +/- 0.71   0.607% *  0.1279% (0.11   0.02   0.02) =   0.001%
          HN    GLU-  25 - QG2   VAL   43   9.08 +/- 0.97   0.148% *  0.4141% (0.36   0.02   0.02) =   0.001%
          HN    GLU-  25 - QD2   LEU   31   8.42 +/- 0.63   0.219% *  0.1188% (0.10   0.02   0.02) =   0.000%
          HN    ASN   69 - QG2   VAL   43  14.01 +/- 0.98   0.011% *  0.2685% (0.23   0.02   0.02) =   0.000%
          HN    ASN   69 - QD2   LEU   31  12.69 +/- 1.03   0.020% *  0.0770% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2597 (9.17, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.866, support = 4.23, residual support = 61.3:
      O   HN    VAL   43 - HB    VAL   43   2.79 +/- 0.38 100.000% *100.0000% (0.87  10.0   4.23  61.34) = 100.000%  kept
    Distance limit 3.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2598 (9.31, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.508, support = 1.5, residual support = 16.4:
          HN    MET   96 - HB    VAL   43   3.71 +/- 0.50 100.000% *100.0000% (0.51   1.50  16.41) = 100.000%  kept
    Distance limit 3.69 A violated in 1 structures by 0.19 A, kept.
 
    Peak 2599 (6.87, 1.34, 38.87 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.41, residual support = 19.7:
        T QD    PHE   45 - HB3   ASP-  44   4.41 +/- 0.33 100.000% *100.0000% (0.80 10.00   4.41  19.74) = 100.000%  kept
    Distance limit 3.78 A violated in 3 structures by 0.66 A, kept.
 
    Peak 2600 (8.78, 1.34, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.81, residual support = 38.5:
      O   HN    ASP-  44 - HB3   ASP-  44   3.42 +/- 0.40  99.938% * 99.8560% (0.98  10.0   3.81  38.53) = 100.000%  kept
          HN    GLU-  25 - HB3   ASP-  44  14.56 +/- 2.18   0.031% *  0.0983% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB3   ASP-  44  13.85 +/- 1.69   0.030% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2601 (4.92, 2.27, 38.87 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 2.11, residual support = 6.11:
          HA    LYS+  74 - HB2   ASP-  44   3.54 +/- 0.62  99.864% * 92.3930% (0.92  1.00   2.11   6.11) =  99.989%  kept
        T HA    MET   92 - HB2   ASP-  44  11.65 +/- 1.01   0.136% *  7.6070% (0.80 10.00   0.02   0.02) =   0.011%
    Distance limit 3.91 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2602 (8.78, 2.27, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.03, residual support = 38.5:
      O   HN    ASP-  44 - HB2   ASP-  44   2.81 +/- 0.38  99.932% * 99.8560% (0.98  10.0   3.03  38.53) = 100.000%  kept
          HN    GLU-  25 - HB2   ASP-  44  14.02 +/- 1.70   0.039% *  0.0983% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASP-  44  13.15 +/- 1.36   0.029% *  0.0457% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2603 (8.77, 4.29, 51.33 ppm):
    4 chemical-shift based assignments, quality = 0.505, support = 3.9, residual support = 29.7:
      O   HN    ASP-  44 - HA    ASP-  44   2.91 +/- 0.02  19.642% * 81.9551% (0.80  10.0   3.77  38.53) =  52.780%  kept
      O   HN    PHE   45 - HA    ASP-  44   2.30 +/- 0.04  80.347% * 17.9245% (0.18  10.0   4.04  19.74) =  47.220%  kept
          HN    ALA  110 - HA    ASP-  44  11.33 +/- 2.26   0.009% *  0.0349% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HA    ASP-  44  14.45 +/- 1.53   0.002% *  0.0855% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 4.56:
          HA    PHE   95 - HA    ASP-  44   2.99 +/- 0.83 100.000% *100.0000% (0.87   2.00   4.56) = 100.000%  kept
    Distance limit 3.57 A violated in 1 structures by 0.12 A, kept.
 
    Peak 2605 (3.96, 3.05, 39.30 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 2.96, residual support = 27.1:
        T HB    THR   94 - HB2   PHE   45   4.22 +/- 1.38  93.825% * 98.9931% (0.65 10.00   2.96  27.12) =  99.995%  kept
          QB    SER   85 - HB2   PHE   45  11.40 +/- 1.36   1.277% *  0.1477% (0.97  1.00   0.02   0.02) =   0.002%
          QB    SER   48 - HB2   PHE   45  10.44 +/- 0.75   1.426% *  0.1169% (0.76  1.00   0.02   0.02) =   0.002%
          HA    ALA   88 - HB2   PHE   45  10.40 +/- 1.01   2.131% *  0.0268% (0.18  1.00   0.02   0.02) =   0.001%
          HD2   PRO   52 - HB2   PHE   45  11.16 +/- 1.41   0.956% *  0.0522% (0.34  1.00   0.02   0.02) =   0.001%
          HA2   GLY   51 - HB2   PHE   45  13.81 +/- 0.73   0.220% *  0.0745% (0.49  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PHE   45  18.87 +/- 1.80   0.028% *  0.1413% (0.92  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   45  15.94 +/- 1.98   0.067% *  0.0382% (0.25  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PHE   45  20.76 +/- 1.36   0.016% *  0.1477% (0.97  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PHE   45  20.38 +/- 1.56   0.014% *  0.1448% (0.95  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   45  20.03 +/- 1.73   0.015% *  0.0866% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PHE   45  20.11 +/- 0.94   0.024% *  0.0303% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 9 structures by 0.96 A, kept.
 
    Peak 2606 (1.28, 3.05, 39.30 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 1.83, residual support = 8.99:
          QG2   THR   77 - HB2   PHE   45   4.26 +/- 1.59  89.205% * 94.3239% (0.45   1.83   9.00) =  99.872%  kept
          QG2   ILE   56 - HB2   PHE   45   8.26 +/- 1.69   5.822% *  1.0288% (0.45   0.02   0.02) =   0.071%
          QG2   THR   23 - HB2   PHE   45  11.77 +/- 1.76   1.536% *  2.1707% (0.95   0.02   0.02) =   0.040%
          QB    ALA   88 - HB2   PHE   45   9.27 +/- 0.94   3.222% *  0.3541% (0.15   0.02   0.02) =   0.014%
          QB    ALA   34 - HB2   PHE   45  14.35 +/- 0.67   0.206% *  1.4845% (0.65   0.02   0.02) =   0.004%
          HG3   LYS+  38 - HB2   PHE   45  24.05 +/- 1.58   0.009% *  0.6380% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 6 structures by 0.87 A, kept.
 
    Peak 2607 (0.63, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 0.75, residual support = 12.2:
        T QG2   ILE   89 - HB2   PHE   45   3.95 +/- 1.45  89.485% * 99.8023% (1.00 10.00   0.75  12.18) =  99.982%  kept
          QG1   VAL   83 - HB2   PHE   45   7.33 +/- 1.90  10.374% *  0.1510% (0.57  1.00   0.02   1.98) =   0.018%
          QD1   LEU  104 - HB2   PHE   45  14.57 +/- 2.45   0.141% *  0.0467% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 5 structures by 0.63 A, kept.
 
    Peak 2608 (1.31, 2.42, 39.30 ppm):
    7 chemical-shift based assignments, quality = 0.868, support = 2.23, residual support = 8.92:
          QG2   THR   77 - HB3   PHE   45   3.96 +/- 1.50  91.463% * 77.0674% (0.87   2.25   9.00) =  99.108%  kept
          QB    ALA   88 - HB3   PHE   45   9.21 +/- 1.07   2.960% * 21.1218% (0.99   0.54   0.02) =   0.879%  kept
          HB3   LEU   80 - HB3   PHE   45   9.22 +/- 2.52   5.380% *  0.1563% (0.20   0.02   0.02) =   0.012%
          HG2   LYS+ 111 - HB3   PHE   45  15.50 +/- 1.61   0.120% *  0.2964% (0.38   0.02   0.02) =   0.001%
          HB2   LEU   31 - HB3   PHE   45  16.24 +/- 1.25   0.055% *  0.2438% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   PHE   45  20.49 +/- 1.71   0.016% *  0.5109% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   PHE   45  24.24 +/- 1.23   0.005% *  0.6035% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 7 structures by 0.87 A, kept.
 
    Peak 2609 (0.64, 2.42, 39.30 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.75, residual support = 12.2:
        T QG2   ILE   89 - HB3   PHE   45   3.89 +/- 1.49 100.000% *100.0000% (0.69 10.00   0.75  12.18) = 100.000%  kept
    Distance limit 3.51 A violated in 3 structures by 0.55 A, kept.
 
    Peak 2610 (6.84, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.24, residual support = 80.2:
      O   QD    PHE   45 - HB2   PHE   45   2.52 +/- 0.17  99.996% * 99.6976% (0.65  10.0   4.24  80.15) = 100.000%  kept
          HD2   HIS  122 - HB2   PHE   45  15.77 +/- 1.79   0.003% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB2   PHE   45  20.05 +/- 1.66   0.001% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   PHE   45  19.75 +/- 1.91   0.001% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2611 (8.75, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 3.67, residual support = 80.2:
      O   HN    PHE   45 - HB2   PHE   45   2.94 +/- 0.59  98.401% * 99.8082% (0.73  10.0   3.67  80.15) =  99.999%  kept
          HN    ASP-  44 - HB2   PHE   45   6.32 +/- 0.41   1.507% *  0.0306% (0.22   1.0   0.02  19.74) =   0.000%
          HN    ALA  110 - HB2   PHE   45  10.82 +/- 2.20   0.064% *  0.1269% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PHE   45  14.03 +/- 1.82   0.028% *  0.0343% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2612 (6.84, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.95, residual support = 80.2:
      O   QD    PHE   45 - HB3   PHE   45   2.52 +/- 0.16  99.997% * 99.6976% (0.65  10.0   4.95  80.15) = 100.000%  kept
          HD2   HIS  122 - HB3   PHE   45  16.11 +/- 1.18   0.002% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB3   PHE   45  20.23 +/- 1.46   0.000% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   PHE   45  19.92 +/- 1.80   0.000% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2613 (8.75, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 80.2:
      O   HN    PHE   45 - HB3   PHE   45   3.12 +/- 0.49  98.196% * 99.8082% (0.73  10.0   4.00  80.15) =  99.999%  kept
          HN    ASP-  44 - HB3   PHE   45   6.48 +/- 0.65   1.666% *  0.0306% (0.22   1.0   0.02  19.74) =   0.001%
          HN    ALA  110 - HB3   PHE   45  10.73 +/- 2.30   0.120% *  0.1269% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB3   PHE   45  14.08 +/- 1.33   0.018% *  0.0343% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 1.19, residual support = 3.93:
          HA    ASP-  76 - QG2   THR   46   3.75 +/- 1.91 100.000% *100.0000% (0.41   1.19   3.93) = 100.000%  kept
    Distance limit 3.31 A violated in 7 structures by 0.99 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   2.35 +/- 0.41  99.181% * 97.6980% (0.76   3.39  34.52) =  99.995%  kept
          HN    LYS+  74 - QG2   THR   46   7.15 +/- 1.61   0.527% *  0.7552% (1.00   0.02   0.02) =   0.004%
          HN    MET   92 - QG2   THR   46   8.37 +/- 1.90   0.287% *  0.4275% (0.57   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QG2   THR   46  14.19 +/- 1.64   0.004% *  0.4885% (0.65   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   46  23.94 +/- 4.33   0.000% *  0.6308% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2616 (7.03, 0.75, 18.88 ppm):
    2 chemical-shift based assignments, quality = 0.249, support = 3.2, residual support = 12.7:
          HN    ALA   47 - QG2   THR   46   3.37 +/- 0.53  97.840% * 97.9529% (0.25   3.21  12.66) =  99.954%  kept
          QD    PHE   95 - QG2   THR   46   7.61 +/- 1.19   2.160% *  2.0471% (0.84   0.02   0.02) =   0.046%
    Distance limit 3.85 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2617 (2.82, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.299, support = 0.744, residual support = 0.477:
          QB    CYS   50 - QG2   THR   46   5.10 +/- 1.08  28.271% * 76.2890% (0.31   0.99   0.68) =  69.571%  kept
          QE    LYS+  74 - QG2   THR   46   3.97 +/- 1.64  71.213% * 13.2159% (0.28   0.19   0.02) =  30.358%  kept
          HB2   PHE   72 - QG2   THR   46  10.40 +/- 1.23   0.385% *  4.9966% (1.00   0.02   0.02) =   0.062%
          HA    ALA   64 - QG2   THR   46  12.39 +/- 1.68   0.122% *  2.0587% (0.41   0.02   0.02) =   0.008%
          HB3   ASN   69 - QG2   THR   46  19.29 +/- 1.31   0.010% *  3.4398% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.50 A violated in 4 structures by 0.41 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 2619 (9.46, 3.99, 61.71 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 2.61, residual support = 9.35:
      O   HN    SER   48 - HA    SER   48   2.75 +/- 0.05  99.991% * 99.9333% (0.49  10.0   2.61   9.35) = 100.000%  kept
          HN    SER   48 - HB2   SER   82  15.66 +/- 2.53   0.009% *  0.0439% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - HA    VAL   70  24.25 +/- 1.23   0.000% *  0.0228% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 2.49, residual support = 9.35:
      O   HN    SER   48 - QB    SER   48   2.35 +/- 0.18  99.994% * 99.9496% (0.95  10.0   2.49   9.35) = 100.000%  kept
          HN    SER   48 - QB    SER   85  13.02 +/- 1.83   0.005% *  0.0244% (0.23   1.0   0.02   0.02) =   0.000%
          HN    SER   48 - QB    SER  117  21.22 +/- 2.27   0.000% *  0.0260% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 0.931, support = 3.98, residual support = 85.3:
      O   HN    TRP   49 - HB2   TRP   49   3.62 +/- 0.19  58.580% * 97.2124% (0.95  10.0   3.99  86.91) =  98.094%  kept
          HN    CYS   50 - HB2   TRP   49   3.86 +/- 0.78  41.416% *  2.6724% (0.15   1.0   3.37   3.09) =   1.906%  kept
          HE22  GLN   30 - HB2   TRP   49  24.55 +/- 3.05   0.003% *  0.0949% (0.92   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB2   TRP   49  30.83 +/- 3.15   0.000% *  0.0203% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 4.67, residual support = 86.9:
      O   HD1   TRP   49 - HB2   TRP   49   3.82 +/- 0.08  99.984% * 99.6923% (0.80  10.0   4.67  86.91) = 100.000%  kept
          HD2   HIS   22 - HB2   TRP   49  23.88 +/- 3.49   0.003% *  0.1149% (0.92   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   TRP   49  19.53 +/- 2.75   0.011% *  0.0192% (0.15   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   TRP   49  25.54 +/- 2.38   0.002% *  0.0558% (0.45   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   TRP   49  32.73 +/- 3.27   0.000% *  0.1178% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.38 A, kept.
 
    Peak 2623 (6.63, 3.15, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 3.99, residual support = 86.9:
      O   HN    TRP   49 - HB3   TRP   49   2.96 +/- 0.36  87.690% * 99.8654% (0.79  10.0   3.99  86.91) =  99.998%  kept
          HN    CYS   50 - HB3   TRP   49   4.25 +/- 0.41  12.308% *  0.0163% (0.13   1.0   0.02   3.09) =   0.002%
          HE22  GLN   30 - HB3   TRP   49  24.16 +/- 3.23   0.003% *  0.0975% (0.77   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB3   TRP   49  31.05 +/- 3.13   0.000% *  0.0209% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 4.67, residual support = 86.9:
      O   HD1   TRP   49 - HB3   TRP   49   2.96 +/- 0.34  99.985% * 99.6923% (0.67  10.0   4.67  86.91) = 100.000%  kept
          HD2   HIS   22 - HB3   TRP   49  23.13 +/- 3.62   0.003% *  0.1149% (0.77   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   TRP   49  18.74 +/- 2.93   0.011% *  0.0192% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   49  25.88 +/- 2.24   0.001% *  0.0558% (0.37   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   TRP   49  32.38 +/- 3.39   0.000% *  0.1178% (0.79   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2625 (2.64, 3.15, 29.61 ppm):
    3 chemical-shift based assignments, quality = 0.721, support = 0.02, residual support = 2.65:
          HB2   PRO   52 - HB3   TRP   49  10.53 +/- 1.44  95.108% * 45.9163% (0.72   0.02   2.70) =  97.881%  kept
          HB2   ASP-  62 - HB3   TRP   49  22.43 +/- 1.06   1.446% * 45.9163% (0.72   0.02   0.02) =   1.488%  kept
          HG2   MET   96 - HB3   TRP   49  21.32 +/- 3.08   3.446% *  8.1674% (0.13   0.02   0.02) =   0.631%  kept
    Distance limit 3.81 A violated in 20 structures by 6.62 A, eliminated.
    Peak unassigned.
 
    Peak 2626 (2.40, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.489, support = 0.02, residual support = 0.02:
          HB3   PHE   45 - HB3   TRP   49  12.56 +/- 0.78  52.021% * 16.1708% (0.47   0.02   0.02) =  52.132%  kept
          QG    GLU-  79 - HB3   TRP   49  14.42 +/- 2.79  30.441% * 13.9029% (0.41   0.02   0.02) =  26.227%  kept
          HB    VAL  107 - HB3   TRP   49  18.93 +/- 1.96   6.281% * 27.0190% (0.79   0.02   0.02) =  10.517%  kept
          QE    LYS+ 112 - HB3   TRP   49  16.77 +/- 1.74  10.436% * 16.1708% (0.47   0.02   0.02) =  10.459%  kept
          QG    GLN   32 - HB3   TRP   49  28.52 +/- 2.53   0.397% * 22.8711% (0.67   0.02   0.02) =   0.563%  kept
          HG2   GLU-  29 - HB3   TRP   49  28.14 +/- 2.49   0.424% *  3.8655% (0.11   0.02   0.02) =   0.102%
    Distance limit 3.87 A violated in 20 structures by 7.32 A, eliminated.
    Peak unassigned.
 
    Peak 2627 (0.38, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.61, residual support = 6.99:
          QB    ALA   47 - QB    CYS   50   3.37 +/- 0.54  99.784% * 98.8197% (0.65   3.61   6.99) =  99.999%  kept
          QB    ALA   64 - QB    CYS   50  12.30 +/- 1.12   0.071% *  0.5471% (0.65   0.02   0.02) =   0.000%
          QG1   VAL   42 - QB    CYS   50  11.85 +/- 0.88   0.085% *  0.4449% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QB    CYS   50  12.49 +/- 2.28   0.060% *  0.1883% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2628 (3.83, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.996, support = 1.51, residual support = 8.15:
        T HB2   CYS   53 - QB    CYS   50   2.60 +/- 0.67  94.573% * 89.6188% (1.00 10.00   1.50   8.20) =  99.368%  kept
          HD3   PRO   52 - QB    CYS   50   4.97 +/- 0.79   5.333% * 10.1062% (0.73  1.00   2.32   0.02) =   0.632%  kept
          HD2   PRO   58 - QB    CYS   50   9.59 +/- 1.22   0.079% *  0.0583% (0.49  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - QB    CYS   50  14.82 +/- 2.21   0.010% *  0.0492% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    CYS   50  16.77 +/- 2.62   0.005% *  0.0267% (0.22  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    CYS   50  21.66 +/- 1.61   0.001% *  0.0959% (0.80  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    CYS   50  25.39 +/- 2.09   0.000% *  0.0449% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.799, support = 1.47, residual support = 7.05:
      O   HN    CYS   50 - QB    CYS   50   2.85 +/- 0.37  92.550% * 87.7933% (0.80  10.0   1.46   7.09) =  98.903%  kept
          HN    TRP   49 - QB    CYS   50   4.46 +/- 0.32   7.434% * 12.1178% (0.65   1.0   2.49   3.09) =   1.097%  kept
          HN    VAL   83 - QB    CYS   50  14.58 +/- 2.41   0.014% *  0.0513% (0.34   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - QB    CYS   50  18.61 +/- 1.72   0.002% *  0.0375% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2630 (3.94, 4.27, 48.66 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 2.81, residual support = 10.0:
      O T HA2   GLY   51 - HA1   GLY   51   1.75 +/- 0.00  99.991% * 97.0144% (0.87  10.0 10.00   2.81  10.01) = 100.000%  kept
        T QB    SER   48 - HA1   GLY   51   8.93 +/- 0.98   0.008% *  1.1159% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER   85 - HA1   GLY   51  19.28 +/- 2.38   0.000% *  0.7235% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QB    SER  117 - HA1   GLY   51  18.90 +/- 1.95   0.000% *  0.6784% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA1   GLY   51  14.59 +/- 1.16   0.000% *  0.1079% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA1   GLY   51  25.60 +/- 3.72   0.000% *  0.0724% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   60 - HA1   GLY   51  16.10 +/- 1.56   0.000% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA1   GLY   51  25.64 +/- 2.90   0.000% *  0.1032% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA1   GLY   51  24.17 +/- 2.02   0.000% *  0.1058% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA1   GLY   51  22.91 +/- 2.11   0.000% *  0.0633% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2631 (3.34, 2.63, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.96, support = 1.84, residual support = 17.3:
          QB    PHE   55 - HB2   PRO   52   4.39 +/- 0.32  52.016% * 10.7214% (0.92   0.69   0.58) =  40.669%  kept
          HB3   CYS   53 - HB2   PRO   52   6.23 +/- 0.63   5.826% * 74.1075% (0.99   4.45  53.89) =  31.487%  kept
          HD3   PRO   93 - HB2   PRO   52   6.82 +/- 4.81  38.275% *  9.5612% (0.98   0.58   0.34) =  26.687%  kept
          HD2   ARG+  54 - HB2   PRO   52   8.86 +/- 1.44   3.507% *  4.5097% (0.97   0.28   1.74) =   1.153%  kept
          HB2   PHE   59 - HB2   PRO   52  11.47 +/- 1.12   0.137% *  0.2311% (0.69   0.02   0.02) =   0.002%
          HB3   CYS   53 - HG2   MET   96  15.96 +/- 2.32   0.081% *  0.0979% (0.29   0.02   0.02) =   0.001%
          HB2   PHE   59 - HG2   MET   96  13.68 +/- 1.44   0.066% *  0.0679% (0.20   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG2   MET   96  14.65 +/- 0.66   0.038% *  0.0969% (0.29   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   96  16.60 +/- 1.82   0.030% *  0.0912% (0.27   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   MET   96  17.38 +/- 1.18   0.014% *  0.0954% (0.28   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   MET   96  21.76 +/- 2.98   0.007% *  0.0954% (0.28   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   PRO   52  23.97 +/- 2.33   0.002% *  0.3246% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2632 (3.31, 1.84, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.409, support = 1.0, residual support = 5.7:
        T HD3   PRO   93 - HB3   PRO   52   6.11 +/- 4.35  42.741% * 58.5775% (0.41 10.00   0.58   0.34) =  77.743%  kept
          QB    PHE   55 - HB3   PRO   52   4.29 +/- 0.37  44.665% *  8.8441% (0.53  1.00   0.69   0.58) =  12.266%  kept
          HB3   CYS   53 - HB3   PRO   52   5.56 +/- 0.84  11.142% * 28.7659% (0.25  1.00   4.70  53.89) =   9.952%  kept
        T HD2   ARG+  54 - HB3   PRO   52   8.91 +/- 1.22   1.207% *  0.9711% (0.20 10.00   0.02   1.74) =   0.036%
          HB2   PHE   59 - HB3   PRO   52  10.84 +/- 0.73   0.154% *  0.3929% (0.80  1.00   0.02   0.02) =   0.002%
        T HD3   PRO   68 - HB3   PRO   52  23.40 +/- 1.87   0.002% *  2.2000% (0.45 10.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - QB    LYS+  81  15.31 +/- 2.25   0.050% *  0.0231% (0.05  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - QB    LYS+  81  20.61 +/- 3.94   0.009% *  0.1114% (0.02 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - QB    LYS+  81  16.30 +/- 2.62   0.021% *  0.0140% (0.03  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - QB    LYS+  81  19.39 +/- 2.27   0.006% *  0.0296% (0.06  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - QB    LYS+  81  21.51 +/- 2.40   0.003% *  0.0451% (0.09  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - QB    LYS+  81  27.30 +/- 1.03   0.001% *  0.0252% (0.05  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2633 (1.45, 2.63, 32.81 ppm):
    26 chemical-shift based assignments, quality = 0.31, support = 0.324, residual support = 0.181:
          HG2   LYS+ 102 - HG2   MET   96  10.84 +/- 1.74   5.259% * 44.7183% (0.29   0.53   0.29) =  59.313%  kept
          QB    ALA  110 - HB2   PRO   52   6.24 +/- 4.55  69.053% *  1.5910% (0.28   0.02   0.02) =  27.710%  kept
          HB3   LEU  115 - HB2   PRO   52  11.15 +/- 2.10   4.017% *  4.7796% (0.84   0.02   0.02) =   4.843%  kept
          HG    LEU   40 - HG2   MET   96   9.32 +/- 0.92   5.836% *  1.4040% (0.25   0.02   0.02) =   2.067%  kept
          HG    LEU   73 - HG2   MET   96  10.30 +/- 1.28   4.514% *  1.6222% (0.28   0.02   0.02) =   1.847%  kept
          QB    ALA   61 - HB2   PRO   52  12.88 +/- 1.24   1.660% *  2.7853% (0.49   0.02   0.02) =   1.166%  kept
          HG    LEU  115 - HB2   PRO   52  12.27 +/- 2.03   1.451% *  1.5910% (0.28   0.02   0.02) =   0.582%  kept
          HB3   LEU  115 - HG2   MET   96  13.24 +/- 1.05   1.481% *  1.4040% (0.25   0.02   0.02) =   0.524%  kept
          HG2   LYS+ 102 - HB2   PRO   52  27.86 +/- 4.45   0.190% *  5.7095% (1.00   0.02   0.02) =   0.273%
          HG    LEU   40 - HB2   PRO   52  23.01 +/- 2.89   0.203% *  4.7796% (0.84   0.02   0.02) =   0.244%
          QB    ALA   61 - HG2   MET   96  15.04 +/- 1.31   1.125% *  0.8182% (0.14   0.02   0.02) =   0.232%
          HG    LEU   80 - HG2   MET   96  15.39 +/- 3.90   1.234% *  0.5188% (0.09   0.02   0.02) =   0.162%
          HG    LEU   67 - HG2   MET   96  15.36 +/- 2.62   0.470% *  1.2206% (0.21   0.02   0.02) =   0.145%
          QG    LYS+  66 - HG2   MET   96  15.99 +/- 1.25   0.343% *  1.4040% (0.25   0.02   0.02) =   0.122%
          HB3   LEU   67 - HG2   MET   96  15.59 +/- 2.81   0.435% *  1.0874% (0.19   0.02   0.02) =   0.119%
          QG    LYS+  66 - HB2   PRO   52  18.86 +/- 1.46   0.080% *  4.7796% (0.84   0.02   0.02) =   0.097%
          HG    LEU   73 - HB2   PRO   52  21.23 +/- 2.02   0.067% *  5.5223% (0.97   0.02   0.02) =   0.094%
          QB    ALA  110 - HG2   MET   96  13.36 +/- 1.07   0.791% *  0.4674% (0.08   0.02   0.02) =   0.093%
          QB    ALA  120 - HB2   PRO   52  17.31 +/- 1.48   0.190% *  1.5910% (0.28   0.02   0.02) =   0.076%
          QB    ALA  120 - HG2   MET   96  14.36 +/- 0.89   0.625% *  0.4674% (0.08   0.02   0.02) =   0.074%
          HG    LEU  115 - HG2   MET   96  14.41 +/- 1.41   0.600% *  0.4674% (0.08   0.02   0.02) =   0.071%
          HG    LEU   80 - HB2   PRO   52  20.78 +/- 2.71   0.113% *  1.7661% (0.31   0.02   0.02) =   0.050%
          HG    LEU   67 - HB2   PRO   52  23.29 +/- 2.21   0.036% *  4.1552% (0.73   0.02   0.02) =   0.037%
          HB3   LEU   67 - HB2   PRO   52  23.33 +/- 1.87   0.037% *  3.7017% (0.65   0.02   0.02) =   0.034%
          HG12  ILE   19 - HG2   MET   96  17.22 +/- 1.71   0.162% *  0.3742% (0.07   0.02   0.02) =   0.015%
          HG12  ILE   19 - HB2   PRO   52  24.34 +/- 2.10   0.030% *  1.2740% (0.22   0.02   0.02) =   0.010%
    Distance limit 3.11 A violated in 10 structures by 1.66 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 = 0.59, support = 0.0199, residual support = 0.194:
          HB3   PRO   93 - HD2   PRO   52   8.39 +/- 2.47  67.466% *  5.3763% (0.65  1.00   0.02   0.34) =  54.885%  kept
        T QB    ALA   88 - HD2   PRO   52  13.92 +/- 2.50   5.172% * 14.5547% (0.18 10.00   0.02   0.02) =  11.391%  kept
        T HG3   LYS+ 106 - HD2   PRO   52  18.71 +/- 3.56   5.283% * 12.8231% (0.15 10.00   0.02   0.02) =  10.251%  kept
          HG2   LYS+ 111 - HD2   PRO   52  14.07 +/- 3.21   7.368% *  6.9417% (0.84  1.00   0.02   0.02) =   7.740%  kept
          HB3   ASP-  44 - HD2   PRO   52  12.90 +/- 1.56   5.155% *  8.1462% (0.98  1.00   0.02   0.02) =   6.354%  kept
          QB    ALA   84 - HD2   PRO   52  12.69 +/- 2.26   6.350% *  5.7087% (0.69  1.00   0.02   0.02) =   5.486%  kept
          HB2   LEU   63 - HD2   PRO   52  16.63 +/- 1.02   1.557% *  8.3107% (1.00  1.00   0.02   0.02) =   1.958%  kept
          HB3   LEU   80 - HD2   PRO   52  17.44 +/- 2.10   1.235% *  8.1462% (0.98  1.00   0.02   0.02) =   1.523%  kept
          HG    LEU   98 - HD2   PRO   52  22.39 +/- 2.61   0.176% *  6.6547% (0.80  1.00   0.02   0.02) =   0.177%
          QB    ALA  124 - HD2   PRO   52  24.29 +/- 1.60   0.106% *  7.4533% (0.90  1.00   0.02   0.02) =   0.119%
          HB2   LEU   31 - HD2   PRO   52  26.14 +/- 1.42   0.061% *  7.4533% (0.90  1.00   0.02   0.02) =   0.069%
          HG2   LYS+  99 - HD2   PRO   52  28.07 +/- 3.03   0.051% *  4.7052% (0.57  1.00   0.02   0.02) =   0.036%
          HG2   LYS+  38 - HD2   PRO   52  32.74 +/- 2.52   0.019% *  3.7260% (0.45  1.00   0.02   0.02) =   0.010%
    Distance limit 3.56 A violated in 20 structures by 3.64 A, eliminated.
    Peak unassigned.
 
    Peak 2635 (3.99, 3.84, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.801, support = 7.49, residual support = 223.6:
      O T HD2   PRO   52 - HD3   PRO   52   1.75 +/- 0.00  99.993% * 97.1447% (0.80  10.0 10.00   7.49 223.61) = 100.000%  kept
        T HA    SER   48 - HD3   PRO   52   9.25 +/- 1.08   0.006% *  1.2025% (0.99   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   SER   82 - HD3   PRO   52  22.54 +/- 2.49   0.000% *  0.8810% (0.73   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   PRO   52  17.21 +/- 3.00   0.000% *  0.1171% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   PRO   52  20.38 +/- 2.61   0.000% *  0.0785% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   70 - HD3   PRO   52  25.94 +/- 2.32   0.000% *  0.2401% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   PRO   52  18.08 +/- 1.52   0.000% *  0.0240% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   PRO   52  18.18 +/- 2.36   0.000% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   PRO   52  25.67 +/- 3.23   0.000% *  0.0212% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HD3   PRO   52  22.91 +/- 1.67   0.000% *  0.0270% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HD3   PRO   52  31.51 +/- 1.87   0.000% *  0.1148% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HD3   PRO   52  30.09 +/- 1.70   0.000% *  0.0736% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HD3   PRO   52  32.51 +/- 2.23   0.000% *  0.0544% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2636 (3.85, 3.98, 51.93 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 7.49, residual support = 223.6:
      O T HD3   PRO   52 - HD2   PRO   52   1.75 +/- 0.00  99.332% * 98.5557% (0.87  10.0 10.00   7.49 223.61) = 100.000%  kept
          HB2   CYS   53 - HD2   PRO   52   4.16 +/- 0.40   0.667% *  0.0426% (0.38   1.0  1.00   0.02  53.89) =   0.000%
        T HB3   SER   82 - HD2   PRO   52  20.91 +/- 2.53   0.000% *  1.0488% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HD2   PRO   52  12.87 +/- 2.57   0.001% *  0.0509% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HD2   PRO   52  16.58 +/- 1.88   0.000% *  0.0175% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HD2   PRO   52  26.68 +/- 1.76   0.000% *  0.0910% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HD2   PRO   52  27.53 +/- 3.18   0.000% *  0.0735% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HD2   PRO   52  27.28 +/- 2.34   0.000% *  0.0689% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HD2   PRO   52  30.77 +/- 2.35   0.000% *  0.0509% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2637 (4.28, 3.84, 51.93 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.95, residual support = 14.6:
      O   HA1   GLY   51 - HD3   PRO   52   2.49 +/- 0.16  99.961% * 97.0168% (0.76  10.0  1.00   3.95  14.59) = 100.000%  kept
        T HA    ILE  103 - HD3   PRO   52  24.06 +/- 3.38   0.002% *  1.2251% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HD3   PRO   52  13.00 +/- 2.53   0.017% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HD3   PRO   52  11.25 +/- 0.61   0.013% *  0.0569% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD3   PRO   52  18.63 +/- 3.05   0.003% *  0.1172% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HD3   PRO   52  14.86 +/- 1.10   0.003% *  0.1060% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HD3   PRO   52  18.70 +/- 2.76   0.001% *  0.1139% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HD3   PRO   52  29.66 +/- 2.73   0.000% *  1.1012% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD3   PRO   52  21.40 +/- 2.29   0.000% *  0.0222% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD3   PRO   52  37.40 +/- 5.67   0.000% *  0.1017% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD3   PRO   52  34.26 +/- 5.13   0.000% *  0.0251% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2638 (4.29, 3.98, 51.93 ppm):
    12 chemical-shift based assignments, quality = 0.341, support = 5.27, residual support = 14.6:
      O   HA1   GLY   51 - HD2   PRO   52   3.31 +/- 0.16  99.695% * 92.3448% (0.34  10.0  1.00   5.27  14.59) =  99.999%  kept
          HB    THR   77 - HD2   PRO   52  11.83 +/- 2.30   0.138% *  0.2613% (0.97   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD2   PRO   52  22.84 +/- 3.20   0.011% *  2.4279% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HA    SER   85 - HD2   PRO   52  17.81 +/- 2.60   0.007% *  2.6126% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HD2   PRO   52  13.33 +/- 1.09   0.027% *  0.2683% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD2   PRO   52  17.38 +/- 2.99   0.034% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  104 - HD2   PRO   52  23.77 +/- 4.15   0.084% *  0.0418% (0.15   1.0  1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HD2   PRO   52  28.27 +/- 2.37   0.000% *  1.2137% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD2   PRO   52  20.34 +/- 2.17   0.002% *  0.1424% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HD2   PRO   52  35.95 +/- 5.39   0.000% *  0.2701% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HD2   PRO   52  27.70 +/- 3.01   0.000% *  0.1214% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD2   PRO   52  32.85 +/- 4.81   0.000% *  0.1533% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2639 (2.33, 3.84, 51.93 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 6.6, residual support = 223.6:
      O   HG2   PRO   52 - HD3   PRO   52   2.85 +/- 0.18  98.206% * 99.6603% (0.90  10.0   6.60 223.61) =  99.999%  kept
          HG2   MET   92 - HD3   PRO   52   7.91 +/- 4.38   1.770% *  0.0417% (0.38   1.0   0.02   0.02) =   0.001%
          QG    GLU- 114 - HD3   PRO   52  13.82 +/- 2.35   0.014% *  0.0498% (0.45   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD3   PRO   52  17.95 +/- 2.73   0.004% *  0.0585% (0.53   1.0   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD3   PRO   52  15.25 +/- 1.01   0.005% *  0.0379% (0.34   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD3   PRO   52  27.98 +/- 2.23   0.000% *  0.1101% (0.99   1.0   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD3   PRO   52  35.91 +/- 2.34   0.000% *  0.0417% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2640 (2.08, 3.84, 51.93 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 6.6, residual support = 223.6:
      O   HG3   PRO   52 - HD3   PRO   52   2.36 +/- 0.18  99.912% * 99.3977% (0.97  10.0  1.00   6.60 223.61) = 100.000%  kept
        T HB2   PRO   93 - HD3   PRO   52   9.51 +/- 2.97   0.084% *  0.2038% (0.20   1.0 10.00   0.02   0.34) =   0.000%
          HG2   PRO   58 - HD3   PRO   52  13.37 +/- 1.14   0.004% *  0.0994% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD3   PRO   52  28.89 +/- 3.95   0.000% *  0.0951% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - HD3   PRO   52  22.16 +/- 1.75   0.000% *  0.0257% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD3   PRO   52  28.09 +/- 2.85   0.000% *  0.0542% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HD3   PRO   52  37.73 +/- 5.64   0.000% *  0.0924% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLN   32 - HD3   PRO   52  28.30 +/- 1.57   0.000% *  0.0318% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2641 (1.85, 3.84, 51.93 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 6.76, residual support = 223.6:
      O   HB3   PRO   52 - HD3   PRO   52   3.98 +/- 0.26  96.163% * 98.5682% (0.57  10.0   6.76 223.61) =  99.994%  kept
          HG2   ARG+  54 - HD3   PRO   52   7.49 +/- 0.50   2.580% *  0.1647% (0.95   1.0   0.02   1.74) =   0.004%
          HB    ILE   56 - HD3   PRO   52   9.75 +/- 1.52   0.709% *  0.0434% (0.25   1.0   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   PRO   52  13.37 +/- 3.53   0.171% *  0.1331% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   PRO   52  21.06 +/- 3.35   0.137% *  0.1607% (0.92   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   PRO   52  15.84 +/- 2.51   0.157% *  0.1126% (0.65   1.0   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   PRO   52  24.25 +/- 3.72   0.033% *  0.1680% (0.97   1.0   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   PRO   52  17.89 +/- 2.97   0.028% *  0.1196% (0.69   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   52  23.55 +/- 3.17   0.013% *  0.0537% (0.31   1.0   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD3   PRO   52  27.18 +/- 2.80   0.001% *  0.1707% (0.98   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   52  24.93 +/- 2.28   0.002% *  0.0986% (0.57   1.0   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   PRO   52  27.56 +/- 1.99   0.001% *  0.1454% (0.84   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   52  24.02 +/- 2.78   0.004% *  0.0345% (0.20   1.0   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   PRO   52  33.18 +/- 3.03   0.000% *  0.0269% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2642 (8.10, 3.84, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 6.1, residual support = 53.9:
          HN    CYS   53 - HD3   PRO   52   3.67 +/- 0.04  99.984% * 99.3019% (0.61   6.10  53.89) = 100.000%  kept
          HN    LEU   80 - HD3   PRO   52  17.97 +/- 2.64   0.014% *  0.2015% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD3   PRO   52  24.94 +/- 2.01   0.001% *  0.3473% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD3   PRO   52  29.32 +/- 2.14   0.000% *  0.1493% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 3.74, residual support = 14.6:
          HN    GLY   51 - HD3   PRO   52   2.54 +/- 0.64  99.994% * 99.5001% (0.92   3.74  14.59) = 100.000%  kept
          HN    VAL  107 - HD3   PRO   52  15.94 +/- 2.07   0.006% *  0.4999% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2644 (7.85, 3.98, 51.93 ppm):
    6 chemical-shift based assignments, quality = 0.609, support = 1.75, residual support = 1.72:
          HN    ARG+  54 - HD2   PRO   52   4.27 +/- 0.23  86.614% * 83.2891% (0.61   1.78   1.74) =  97.636%  kept
          HN    PHE   55 - HD2   PRO   52   5.86 +/- 0.31  13.314% * 13.1142% (0.73   0.23   0.58) =   2.363%  kept
          HN    ASP-  62 - HD2   PRO   52  15.88 +/- 0.57   0.035% *  1.4216% (0.92   0.02   0.02) =   0.001%
          HN    ALA   88 - HD2   PRO   52  16.97 +/- 2.48   0.034% *  0.3840% (0.25   0.02   0.02) =   0.000%
          HN    LEU   31 - HD2   PRO   52  25.39 +/- 1.40   0.002% *  1.4863% (0.97   0.02   0.02) =   0.000%
          HN    LYS+  38 - HD2   PRO   52  31.28 +/- 2.29   0.001% *  0.3048% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.56 A, kept.
 
    Peak 2645 (8.10, 3.98, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 8.2, residual support = 53.9:
          HN    CYS   53 - HD2   PRO   52   2.27 +/- 0.04  99.998% * 99.4798% (0.61   8.20  53.89) = 100.000%  kept
          HN    LEU   80 - HD2   PRO   52  16.61 +/- 2.59   0.001% *  0.1502% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD2   PRO   52  23.45 +/- 1.93   0.000% *  0.2588% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD2   PRO   52  27.83 +/- 1.85   0.000% *  0.1112% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2647 (2.79, 3.34, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 8.2:
          QB    CYS   50 - HB3   CYS   53   2.83 +/- 0.96  98.401% * 96.8478% (0.92   1.50   8.20) =  99.978%  kept
          QE    LYS+  74 - HB3   CYS   53   8.73 +/- 1.76   1.530% *  1.3233% (0.95   0.02   0.02) =   0.021%
          HB3   ASP-  78 - HB3   CYS   53  12.90 +/- 2.54   0.054% *  0.7920% (0.57   0.02   0.02) =   0.000%
          HB2   PHE   72 - HB3   CYS   53  15.92 +/- 1.46   0.014% *  0.2450% (0.18   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB3   CYS   53  25.17 +/- 1.39   0.001% *  0.7920% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2648 (2.80, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 8.2:
        T QB    CYS   50 - HB2   CYS   53   2.60 +/- 0.67  99.595% * 99.6254% (0.92 10.00   1.50   8.20) = 100.000%  kept
          QE    LYS+  74 - HB2   CYS   53   8.86 +/- 1.72   0.376% *  0.1291% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   CYS   53  12.76 +/- 2.39   0.024% *  0.0252% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HB2   CYS   53  16.11 +/- 1.42   0.005% *  0.0815% (0.57  1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   CYS   53  25.47 +/- 1.40   0.000% *  0.1389% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.943, support = 0.0199, residual support = 0.0199:
        T QG2   ILE   56 - HA    CYS   53   2.96 +/- 1.52  96.433% * 41.1882% (0.95 10.00   0.02   0.02) =  99.678%  kept
          QB    ALA   91 - HA    CYS   53   9.19 +/- 1.79   2.882% *  3.9049% (0.90  1.00   0.02   0.02) =   0.282%
          HG2   LYS+  74 - HA    CYS   53  11.23 +/- 2.18   0.568% *  1.4852% (0.34  1.00   0.02   0.02) =   0.021%
        T HG13  ILE   19 - HA    CYS   53  19.90 +/- 1.61   0.014% * 24.6510% (0.57 10.00   0.02   0.02) =   0.008%
        T HG    LEU   71 - HA    CYS   53  21.25 +/- 1.26   0.010% * 13.4389% (0.31 10.00   0.02   0.02) =   0.003%
          QG2   THR   39 - HA    CYS   53  19.69 +/- 1.48   0.022% *  3.9049% (0.90  1.00   0.02   0.02) =   0.002%
          QB    ALA   34 - HA    CYS   53  19.48 +/- 1.28   0.024% *  3.4865% (0.80  1.00   0.02   0.02) =   0.002%
          HG3   LYS+  99 - HA    CYS   53  24.07 +/- 2.72   0.027% *  1.6341% (0.38  1.00   0.02   0.02) =   0.001%
          QG2   THR   23 - HA    CYS   53  17.56 +/- 2.01   0.017% *  1.9521% (0.45  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HA    CYS   53  29.39 +/- 2.54   0.003% *  4.3541% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 4 structures by 0.54 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 = 4.77, residual support = 44.1:
      O   HN    CYS   53 - HA    CYS   53   2.74 +/- 0.04  99.995% * 99.7861% (0.61  10.0   4.77  44.07) = 100.000%  kept
          HN    LEU   80 - HA    CYS   53  16.54 +/- 2.37   0.004% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    CYS   53  22.08 +/- 1.69   0.000% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    CYS   53  24.93 +/- 1.47   0.000% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2652 (8.10, 3.83, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.92, residual support = 44.1:
      O   HN    CYS   53 - HB2   CYS   53   2.54 +/- 0.32  99.994% * 99.7861% (0.61  10.0   4.92  44.07) = 100.000%  kept
          HN    LEU   80 - HB2   CYS   53  14.93 +/- 2.32   0.005% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HB2   CYS   53  21.03 +/- 1.84   0.000% *  0.1064% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   CYS   53  25.10 +/- 1.36   0.000% *  0.0457% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 5.53, residual support = 31.5:
          HN    ARG+  54 - HB2   CYS   53   3.15 +/- 0.27  94.647% * 98.9926% (0.97   5.53  31.51) =  99.993%  kept
          HN    PHE   55 - HB2   CYS   53   5.13 +/- 0.18   5.327% *  0.1144% (0.31   0.02   0.02) =   0.007%
          HN    ASP-  62 - HB2   CYS   53  12.76 +/- 0.71   0.024% *  0.3507% (0.95   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   CYS   53  22.84 +/- 1.19   0.001% *  0.3325% (0.90   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   CYS   53  28.60 +/- 1.63   0.000% *  0.2099% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2654 (7.87, 3.34, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.36, residual support = 31.5:
          HN    ARG+  54 - HB3   CYS   53   3.93 +/- 0.32  99.890% * 99.1729% (0.87   5.36  31.51) = 100.000%  kept
          HN    ASP-  62 - HB3   CYS   53  12.68 +/- 1.07   0.106% *  0.2244% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   CYS   53  22.44 +/- 1.30   0.004% *  0.1912% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   CYS   53  28.14 +/- 1.56   0.001% *  0.4115% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2655 (1.61, 3.34, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.82, residual support = 169.8:
      O T HG3   ARG+  54 - HD2   ARG+  54   2.93 +/- 0.15  94.714% * 99.8484% (0.87  10.0 10.00   4.82 169.81) =  99.999%  kept
          QB    ALA   57 - HD2   ARG+  54   5.83 +/- 1.76   5.283% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HD2   ARG+  54  17.11 +/- 2.12   0.003% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   ARG+  54  23.90 +/- 2.42   0.001% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   ARG+  54  26.92 +/- 3.14   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2656 (3.35, 3.25, 43.59 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.61, residual support = 169.8:
      O T HD2   ARG+  54 - HD3   ARG+  54   1.75 +/- 0.00  99.935% * 99.6886% (0.87  10.0 10.00   3.61 169.81) = 100.000%  kept
          QB    PHE   55 - HD3   ARG+  54   6.92 +/- 0.88   0.049% *  0.0559% (0.49   1.0  1.00   0.02   3.49) =   0.000%
          HB3   CYS   53 - HD3   ARG+  54   8.14 +/- 0.72   0.012% *  0.0920% (0.80   1.0  1.00   0.02  31.51) =   0.000%
          HD3   PRO   93 - HD3   ARG+  54  11.34 +/- 2.43   0.003% *  0.0697% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD3   ARG+  54  12.26 +/- 1.44   0.002% *  0.0287% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HD3   ARG+  54  23.00 +/- 2.32   0.000% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2657 (3.24, 3.34, 43.59 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.61, residual support = 169.8:
      O T HD3   ARG+  54 - HD2   ARG+  54   1.75 +/- 0.00 100.000% * 99.9131% (1.00  10.0 10.00   3.61 169.81) = 100.000%  kept
          HB3   HIS   22 - HD2   ARG+  54  24.80 +/- 3.61   0.000% *  0.0869% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2658 (1.61, 3.25, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.74, residual support = 169.8:
      O T HG3   ARG+  54 - HD3   ARG+  54   2.68 +/- 0.24  96.952% * 99.8484% (0.87  10.0 10.00   3.74 169.81) =  99.999%  kept
          QB    ALA   57 - HD3   ARG+  54   5.94 +/- 1.52   3.045% *  0.0228% (0.20   1.0  1.00   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HD3   ARG+  54  17.77 +/- 2.18   0.002% *  0.0256% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   ARG+  54  24.10 +/- 2.68   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   ARG+  54  26.71 +/- 3.23   0.000% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2659 (1.88, 3.25, 43.59 ppm):
    13 chemical-shift based assignments, quality = 0.487, support = 3.89, residual support = 169.8:
      O T HG2   ARG+  54 - HD3   ARG+  54   2.52 +/- 0.29  99.902% * 97.6350% (0.49  10.0 10.00   3.89 169.81) = 100.000%  kept
          HB    ILE   56 - HD3   ARG+  54   9.80 +/- 1.03   0.062% *  0.1988% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD3   ARG+  54  10.99 +/- 1.42   0.024% *  0.0825% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   ARG+  54  14.29 +/- 2.06   0.006% *  0.1217% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   ARG+  54  18.14 +/- 2.52   0.002% *  0.1675% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   ARG+  54  18.76 +/- 3.04   0.002% *  0.1457% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   ARG+  54  20.45 +/- 4.14   0.001% *  0.1606% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   ARG+  54  24.52 +/- 2.22   0.000% *  0.8246% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   ARG+  54  21.91 +/- 3.45   0.001% *  0.1055% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   ARG+  54  25.46 +/- 3.32   0.000% *  0.1533% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   ARG+  54  26.83 +/- 3.68   0.000% *  0.0899% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   ARG+  54  26.99 +/- 2.74   0.000% *  0.1298% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   ARG+  54  32.98 +/- 3.19   0.000% *  0.1852% (0.92   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2660 (2.04, 3.25, 43.59 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 4.02, residual support = 169.8:
      O   HB2   ARG+  54 - HD3   ARG+  54   3.22 +/- 0.42  99.668% * 99.0727% (0.73  10.0   4.02 169.81) = 100.000%  kept
          HB2   PRO   93 - HD3   ARG+  54  11.24 +/- 2.91   0.299% *  0.0561% (0.41   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   ARG+  54  17.91 +/- 1.80   0.008% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   ARG+  54  18.45 +/- 2.35   0.007% *  0.1092% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HD3   ARG+  54  16.65 +/- 2.18   0.007% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   ARG+  54  18.29 +/- 3.15   0.006% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   ARG+  54  25.47 +/- 3.31   0.001% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HD3   ARG+  54  26.29 +/- 3.34   0.001% *  0.1317% (0.97   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   ARG+  54  24.38 +/- 2.62   0.001% *  0.0883% (0.65   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   ARG+  54  22.34 +/- 2.68   0.001% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   ARG+  54  33.14 +/- 3.52   0.000% *  0.1352% (0.99   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   ARG+  54  27.17 +/- 3.88   0.001% *  0.0211% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2661 (1.86, 1.60, 27.63 ppm):
    14 chemical-shift based assignments, quality = 0.923, support = 4.97, residual support = 169.8:
      O T HG2   ARG+  54 - HG3   ARG+  54   1.75 +/- 0.00  99.981% * 97.1361% (0.92  10.0 10.00   4.97 169.81) = 100.000%  kept
          HB    ILE   56 - HG3   ARG+  54   9.09 +/- 0.87   0.006% *  0.0681% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   ARG+  54   8.30 +/- 0.59   0.010% *  0.0208% (0.20   1.0  1.00   0.02   1.74) =   0.000%
          HB3   GLN   90 - HG3   ARG+  54  17.59 +/- 3.29   0.001% *  0.1052% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   ARG+  54  13.08 +/- 1.93   0.001% *  0.0208% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   ARG+  54  17.40 +/- 2.03   0.000% *  0.1031% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   ARG+  54  21.36 +/- 3.22   0.000% *  0.0995% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   ARG+  54  22.90 +/- 3.13   0.000% *  0.2082% (0.20   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HG3   ARG+  54  24.57 +/- 2.40   0.000% *  0.9128% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   ARG+  54  19.77 +/- 3.79   0.000% *  0.1043% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   ARG+  54  26.73 +/- 2.40   0.000% *  1.0430% (0.99   1.0 10.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   ARG+  54  26.06 +/- 3.11   0.000% *  0.0944% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   ARG+  54  25.09 +/- 2.85   0.000% *  0.0325% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   ARG+  54  32.67 +/- 2.84   0.000% *  0.0512% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2662 (2.03, 1.60, 27.63 ppm):
    13 chemical-shift based assignments, quality = 0.309, support = 5.11, residual support = 169.8:
      O   HB2   ARG+  54 - HG3   ARG+  54   2.78 +/- 0.19  99.980% * 97.7423% (0.31  10.0   5.11 169.81) = 100.000%  kept
          HB2   LYS+ 111 - HG3   ARG+  54  15.91 +/- 1.81   0.004% *  0.2420% (0.76   1.0   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   ARG+  54  17.61 +/- 2.11   0.003% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   ARG+  54  18.47 +/- 2.76   0.002% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   ARG+  54  15.32 +/- 1.88   0.005% *  0.0627% (0.20   1.0   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   ARG+  54  17.48 +/- 1.79   0.002% *  0.1189% (0.38   1.0   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   ARG+  54  22.45 +/- 2.44   0.001% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   ARG+  54  24.51 +/- 2.68   0.000% *  0.3104% (0.98   1.0   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   ARG+  54  20.90 +/- 3.12   0.002% *  0.0489% (0.15   1.0   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   ARG+  54  25.98 +/- 2.93   0.000% *  0.2840% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   ARG+  54  25.09 +/- 2.85   0.000% *  0.1921% (0.61   1.0   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   ARG+  54  26.69 +/- 3.39   0.000% *  0.1541% (0.49   1.0   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   ARG+  54  32.62 +/- 3.23   0.000% *  0.2175% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2663 (4.11, 1.60, 27.63 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 169.8:
      O   HA    ARG+  54 - HG3   ARG+  54   3.24 +/- 0.49  99.976% * 99.5710% (1.00  10.0   5.75 169.81) = 100.000%  kept
          HA    LEU  115 - HG3   ARG+  54  15.22 +/- 1.86   0.013% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   ARG+  54  20.27 +/- 4.00   0.004% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   ARG+  54  18.27 +/- 2.08   0.005% *  0.0174% (0.18   1.0   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   ARG+  54  27.28 +/- 3.92   0.001% *  0.0976% (0.98   1.0   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   ARG+  54  26.99 +/- 2.80   0.000% *  0.0644% (0.65   1.0   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   ARG+  54  28.93 +/- 2.75   0.000% *  0.0446% (0.45   1.0   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   ARG+  54  30.14 +/- 3.01   0.000% *  0.0277% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   ARG+  54  35.27 +/- 2.78   0.000% *  0.0524% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2665 (3.26, 1.60, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 3.74, residual support = 169.8:
      O T HD3   ARG+  54 - HG3   ARG+  54   2.68 +/- 0.24 100.000% * 99.9462% (0.76  10.0 10.00   3.74 169.81) = 100.000%  kept
          HB3   HIS   22 - HG3   ARG+  54  24.07 +/- 3.54   0.000% *  0.0538% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2666 (3.35, 1.60, 27.63 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 4.82, residual support = 169.8:
      O T HD2   ARG+  54 - HG3   ARG+  54   2.93 +/- 0.15  96.611% * 99.6886% (0.87  10.0 10.00   4.82 169.81) =  99.998%  kept
          QB    PHE   55 - HG3   ARG+  54   6.11 +/- 0.81   2.438% *  0.0559% (0.49   1.0  1.00   0.02   3.49) =   0.001%
          HB3   CYS   53 - HG3   ARG+  54   6.87 +/- 0.82   0.798% *  0.0920% (0.80   1.0  1.00   0.02  31.51) =   0.001%
          HD3   PRO   93 - HG3   ARG+  54  10.17 +/- 2.44   0.125% *  0.0697% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   ARG+  54  11.82 +/- 1.13   0.028% *  0.0287% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   ARG+  54  23.02 +/- 2.28   0.001% *  0.0651% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2667 (7.87, 1.60, 27.63 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.6, residual support = 169.8:
          HN    ARG+  54 - HG3   ARG+  54   3.73 +/- 0.40  99.934% * 99.3268% (0.87   6.60 169.81) = 100.000%  kept
          HN    ASP-  62 - HG3   ARG+  54  13.71 +/- 1.39   0.065% *  0.1826% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   ARG+  54  26.85 +/- 2.68   0.001% *  0.1556% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   ARG+  54  32.16 +/- 2.80   0.000% *  0.3350% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2668 (1.61, 1.86, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 4.97, residual support = 169.8:
      O T HG3   ARG+  54 - HG2   ARG+  54   1.75 +/- 0.00  99.614% * 98.1061% (0.87  10.0 10.00   4.97 169.81) = 100.000%  kept
          QB    ALA   57 - HG2   ARG+  54   5.32 +/- 1.66   0.373% *  0.0224% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - HG3   PRO   68  11.45 +/- 4.23   0.011% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   PRO   68  15.02 +/- 1.81   0.000% *  0.1353% (0.12   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   ARG+  54  16.64 +/- 1.99   0.000% *  0.2518% (0.22   1.0 10.00   0.02   0.02) =   0.000%
        T HB3   LEU  123 - HG2   ARG+  54  23.37 +/- 2.50   0.000% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   ARG+  54  25.60 +/- 2.84   0.000% *  0.5071% (0.45   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG3   PRO   68  24.57 +/- 2.40   0.000% *  0.2618% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   PRO   68  15.51 +/- 1.63   0.000% *  0.0060% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   PRO   68  25.70 +/- 3.00   0.000% *  0.0672% (0.06   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.51 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 = 0.139, support = 2.79, residual support = 35.1:
      O   HG2   PRO   68 - HG3   PRO   68   1.75 +/- 0.00  89.122% * 33.8555% (0.12  10.0  1.00   2.31  35.14) =  81.555%  kept
      O   HB3   PRO   68 - HG3   PRO   68   2.59 +/- 0.32  10.819% * 63.0750% (0.22  10.0  1.00   4.90  35.14) =  18.445%  kept
          QB    GLU-  15 - HG3   PRO   68   8.19 +/- 2.68   0.055% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   ARG+  54  15.45 +/- 1.89   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   PRO   68  12.79 +/- 1.74   0.001% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   ARG+  54  14.79 +/- 1.87   0.000% *  0.1716% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   ARG+  54  17.66 +/- 2.74   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   PRO   68  13.42 +/- 1.16   0.001% *  0.0397% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   ARG+  54  19.91 +/- 3.06   0.000% *  0.1489% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   68  13.89 +/- 2.69   0.001% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   GLN   30 - HG2   ARG+  54  24.06 +/- 2.81   0.000% *  0.5600% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   ARG+  54  21.70 +/- 2.35   0.000% *  0.2824% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   ARG+  54  16.98 +/- 1.70   0.000% *  0.0560% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   ARG+  54  23.71 +/- 2.32   0.000% *  0.2364% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   PRO   68  18.80 +/- 2.11   0.000% *  0.0458% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   ARG+  54  25.78 +/- 3.32   0.000% *  0.2612% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   PRO   68  17.74 +/- 1.33   0.000% *  0.0339% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   68  17.43 +/- 2.37   0.000% *  0.0188% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   ARG+  54  23.79 +/- 2.20   0.000% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   ARG+  54  24.97 +/- 2.87   0.000% *  0.1269% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   PRO   68  23.06 +/- 3.02   0.000% *  0.0753% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   68  17.13 +/- 1.40   0.000% *  0.0149% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   PRO   68  26.35 +/- 1.18   0.000% *  0.0697% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   ARG+  54  31.63 +/- 3.17   0.000% *  0.0706% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2670 (3.35, 1.86, 27.63 ppm):
    12 chemical-shift based assignments, quality = 0.745, support = 4.78, residual support = 146.2:
      O T HD2   ARG+  54 - HG2   ARG+  54   2.73 +/- 0.18  44.359% * 78.1402% (0.87  10.0 10.00   4.79 169.81) =  82.638%  kept
      O   HD3   PRO   68 - HG3   PRO   68   2.66 +/- 0.30  51.321% * 13.6092% (0.15  10.0  1.00   4.76  35.14) =  16.652%  kept
          QB    PHE   55 - HG2   ARG+  54   5.89 +/- 1.25   3.822% *  7.7903% (0.49   1.0  1.00   3.55   3.49) =   0.710%  kept
          HB3   CYS   53 - HG2   ARG+  54   6.09 +/- 0.63   0.435% *  0.0721% (0.80   1.0  1.00   0.02  31.51) =   0.001%
          HD3   PRO   93 - HG2   ARG+  54   9.55 +/- 2.27   0.050% *  0.0546% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  11.06 +/- 1.02   0.010% *  0.0225% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  24.56 +/- 2.14   0.000% *  0.2085% (0.23   1.0 10.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  15.02 +/- 2.08   0.003% *  0.0060% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  22.20 +/- 1.96   0.000% *  0.0510% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  19.97 +/- 2.29   0.000% *  0.0117% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  22.70 +/- 2.12   0.000% *  0.0192% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  24.24 +/- 2.04   0.000% *  0.0146% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2671 (3.27, 1.86, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 3.89, residual support = 169.8:
      O T HD3   ARG+  54 - HG2   ARG+  54   2.52 +/- 0.29 100.000% * 99.7339% (0.31  10.0 10.00   3.89 169.81) = 100.000%  kept
        T HD3   ARG+  54 - HG3   PRO   68  24.52 +/- 2.22   0.000% *  0.2661% (0.08   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2672 (4.11, 1.86, 27.63 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 169.8:
      O T HA    ARG+  54 - HG2   ARG+  54   2.52 +/- 0.60  98.714% * 97.8074% (1.00  10.0 10.00   5.69 169.81) = 100.000%  kept
          HA    ALA  124 - HG3   PRO   68  10.40 +/- 4.47   1.258% *  0.0256% (0.26   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   ARG+  54  14.51 +/- 1.73   0.009% *  0.5932% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   ARG+  54  19.53 +/- 3.92   0.002% *  0.6327% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG3   PRO   68  16.97 +/- 2.22   0.003% *  0.1583% (0.16   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG3   PRO   68  21.98 +/- 1.82   0.001% *  0.2610% (0.27   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   PRO   68  14.46 +/- 1.29   0.006% *  0.0117% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   ARG+  54  17.71 +/- 2.03   0.003% *  0.0171% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   ARG+  54  26.58 +/- 3.36   0.000% *  0.0959% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   ARG+  54  25.99 +/- 2.72   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG3   PRO   68  29.78 +/- 1.71   0.000% *  0.1688% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   PRO   68  19.57 +/- 1.30   0.001% *  0.0137% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   PRO   68  19.17 +/- 2.32   0.002% *  0.0073% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   ARG+  54  27.89 +/- 2.72   0.000% *  0.0439% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   PRO   68  21.84 +/- 1.34   0.001% *  0.0169% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   PRO   68  20.27 +/- 2.40   0.001% *  0.0046% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   ARG+  54  29.14 +/- 2.89   0.000% *  0.0272% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   ARG+  54  34.23 +/- 2.75   0.000% *  0.0515% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2673 (7.87, 1.86, 27.63 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 6.51, residual support = 169.8:
          HN    ARG+  54 - HG2   ARG+  54   3.29 +/- 0.26  99.888% * 99.0565% (0.87   6.51 169.81) = 100.000%  kept
          HN    ASP-  62 - HG2   ARG+  54  12.97 +/- 1.14   0.035% *  0.1846% (0.53   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG3   PRO   68  11.86 +/- 1.27   0.062% *  0.0493% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   PRO   68  15.88 +/- 1.26   0.010% *  0.0904% (0.26   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   ARG+  54  25.82 +/- 2.64   0.001% *  0.1573% (0.45   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   PRO   68  19.07 +/- 1.34   0.003% *  0.0420% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   ARG+  54  31.13 +/- 2.77   0.000% *  0.3387% (0.97   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   PRO   68  23.47 +/- 2.05   0.001% *  0.0812% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2674 (1.63, 1.95, 30.44 ppm):
    7 chemical-shift based assignments, quality = 0.951, support = 0.0199, residual support = 0.0199:
          QB    ALA   57 - HB3   ARG+  54   5.56 +/- 1.28  94.235% * 19.4000% (0.97   0.02   0.02) =  96.975%  kept
          HD2   LYS+  74 - HB3   ARG+  54  14.05 +/- 2.85   2.515% * 14.5972% (0.73   0.02   0.02) =   1.948%  kept
          HB2   LYS+ 121 - HB3   ARG+  54  20.45 +/- 3.15   2.464% *  3.9782% (0.20   0.02   0.02) =   0.520%  kept
          HD3   LYS+ 111 - HB3   ARG+  54  15.71 +/- 2.47   0.352% * 19.7041% (0.98   0.02   0.02) =   0.367%
          HB3   LEU  123 - HB3   ARG+  54  23.38 +/- 2.20   0.079% * 19.4000% (0.97   0.02   0.02) =   0.081%
          QD    LYS+  65 - HB3   ARG+  54  16.20 +/- 1.77   0.306% *  3.5205% (0.18   0.02   0.02) =   0.057%
          QD    LYS+  33 - HB3   ARG+  54  26.44 +/- 2.70   0.050% * 19.4000% (0.97   0.02   0.02) =   0.051%
    Distance limit 3.04 A violated in 17 structures by 2.44 A, eliminated.
    Peak unassigned.
 
    Peak 2675 (7.87, 1.95, 30.44 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.32, residual support = 169.8:
      O   HN    ARG+  54 - HB3   ARG+  54   2.30 +/- 0.49  99.990% * 99.7769% (0.87  10.0   5.32 169.81) = 100.000%  kept
          HN    ASP-  62 - HB3   ARG+  54  13.31 +/- 1.26   0.010% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ARG+  54  26.64 +/- 2.10   0.000% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ARG+  54  31.73 +/- 2.65   0.000% *  0.1110% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2676 (7.87, 2.05, 30.44 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.5, residual support = 169.8:
      O   HN    ARG+  54 - HB2   ARG+  54   3.19 +/- 0.44  99.927% * 99.6984% (0.87  10.0   6.50 169.81) = 100.000%  kept
          HN    ASP-  62 - HB2   ARG+  54  12.83 +/- 1.35   0.038% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   GLU-  14  17.52 +/- 2.24   0.006% *  0.0163% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   GLU-  14  16.34 +/- 2.18   0.009% *  0.0076% (0.07   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   GLU-  14  17.17 +/- 2.03   0.007% *  0.0089% (0.08   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   MET   11  21.10 +/- 4.49   0.004% *  0.0107% (0.09   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   MET   11  21.60 +/- 4.57   0.006% *  0.0050% (0.04   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ARG+  54  26.97 +/- 2.51   0.000% *  0.0515% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ARG+  54  31.82 +/- 2.90   0.000% *  0.1109% (0.97   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   GLU-  14  25.38 +/- 3.20   0.001% *  0.0147% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG2   MET   11  26.40 +/- 1.60   0.000% *  0.0058% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   MET   11  34.40 +/- 4.54   0.000% *  0.0096% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2677 (7.27, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.245, support = 1.49, residual support = 29.0:
          QE    PHE   59 - HA    LEU  115   3.35 +/- 1.08  91.771% * 76.5315% (0.25   1.50  29.11) =  99.609%  kept
          HN    PHE   59 - HA    LEU  115   7.18 +/- 0.96   1.928% *  8.7244% (0.13   0.33  29.11) =   0.239%
          QD    PHE   60 - HA    ARG+  54   7.82 +/- 1.70   2.059% *  2.3447% (0.57   0.02   0.02) =   0.068%
          HN    PHE   59 - HA    ARG+  54   8.20 +/- 0.73   1.443% *  1.7026% (0.41   0.02   0.02) =   0.035%
          QE    PHE   59 - HA    ARG+  54  11.12 +/- 1.90   0.519% *  3.3162% (0.80   0.02   0.02) =   0.024%
          QD    PHE   60 - HA    LEU  115   9.55 +/- 1.21   2.179% *  0.7215% (0.17   0.02   0.02) =   0.022%
          HN    LYS+  66 - HA    LEU  115  12.88 +/- 1.20   0.076% *  1.2491% (0.30   0.02   0.02) =   0.001%
          HN    LYS+  66 - HA    ARG+  54  16.39 +/- 1.36   0.019% *  4.0595% (0.98   0.02   0.02) =   0.001%
          HN    LYS+  81 - HA    ARG+  54  20.44 +/- 3.01   0.004% *  1.0327% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LEU  115  24.61 +/- 1.41   0.001% *  0.3178% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 2 structures by 0.23 A, kept.
 
    Peak 2678 (7.86, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.921, support = 6.29, residual support = 158.8:
      O   HN    ARG+  54 - HA    ARG+  54   2.75 +/- 0.04  81.709% * 75.5578% (0.97  10.0   6.51 169.81) =  93.353%  kept
      O   HN    PHE   55 - HA    ARG+  54   3.53 +/- 0.04  18.190% * 24.1648% (0.31  10.0   3.25   3.49) =   6.647%  kept
          HN    ASP-  62 - HA    ARG+  54  11.01 +/- 1.05   0.023% *  0.0741% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LEU  115   9.81 +/- 0.73   0.044% *  0.0228% (0.29   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU  115  12.97 +/- 1.40   0.011% *  0.0232% (0.30   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    LEU  115  11.41 +/- 1.06   0.021% *  0.0074% (0.09   1.0   0.02   4.72) =   0.000%
          HN    LEU   31 - HA    ARG+  54  24.80 +/- 1.82   0.000% *  0.0702% (0.90   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LEU  115  22.60 +/- 0.82   0.000% *  0.0216% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ARG+  54  29.71 +/- 2.04   0.000% *  0.0443% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    LEU  115  24.44 +/- 0.97   0.000% *  0.0136% (0.17   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2679 (7.61, 3.33, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 4.27, residual support = 18.7:
          HN    ILE   56 - QB    PHE   55   2.82 +/- 0.39  98.453% * 97.4371% (0.57   4.27  18.72) =  99.997%  kept
          QE    PHE   60 - QB    PHE   55   9.91 +/- 1.98   0.912% *  0.2008% (0.25   0.02   0.02) =   0.002%
          HN    LYS+ 111 - QB    PHE   55   8.10 +/- 3.16   0.598% *  0.1793% (0.22   0.02   0.02) =   0.001%
          HN    LEU   63 - QB    PHE   55  11.59 +/- 0.84   0.033% *  0.5533% (0.69   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QB    PHE   55  19.39 +/- 1.94   0.002% *  0.6728% (0.84   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    PHE   55  23.18 +/- 1.11   0.000% *  0.7773% (0.97   0.02   0.02) =   0.000%
          HN    ALA   84 - QB    PHE   55  19.01 +/- 1.86   0.002% *  0.1793% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2680 (7.85, 3.33, 38.95 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.89, residual support = 20.3:
      O   HN    PHE   55 - QB    PHE   55   2.01 +/- 0.08  98.813% * 99.5965% (0.73  10.0   2.89  20.31) =  99.999%  kept
          HN    ARG+  54 - QB    PHE   55   4.23 +/- 0.12   1.181% *  0.0832% (0.61   1.0   0.02   3.49) =   0.001%
          HN    ASP-  62 - QB    PHE   55  10.55 +/- 0.83   0.005% *  0.1266% (0.92   1.0   0.02   0.02) =   0.000%
          HN    ALA   88 - QB    PHE   55  19.08 +/- 1.55   0.000% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    PHE   55  23.82 +/- 1.37   0.000% *  0.1324% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    PHE   55  27.34 +/- 2.28   0.000% *  0.0271% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2681 (7.29, 3.33, 38.95 ppm):
    4 chemical-shift based assignments, quality = 0.888, support = 0.02, residual support = 0.02:
          QD    PHE   60 - QB    PHE   55   8.64 +/- 1.43  94.605% * 36.5548% (0.90   0.02   0.02) =  97.225%  kept
          HN    LYS+  66 - QB    PHE   55  15.28 +/- 1.09   3.678% * 16.7569% (0.41   0.02   0.02) =   1.733%  kept
          HN    LYS+  81 - QB    PHE   55  20.79 +/- 2.26   0.770% * 40.3993% (0.99   0.02   0.02) =   0.875%  kept
          HE3   TRP   27 - QB    PHE   55  19.50 +/- 0.86   0.947% *  6.2891% (0.15   0.02   0.02) =   0.167%
    Distance limit 3.19 A violated in 19 structures by 5.37 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 = 123.4:
      O   HN    ILE   56 - HB    ILE   56   2.89 +/- 0.57  99.100% * 98.8687% (0.25  10.0   5.99 123.41) =  99.998%  kept
          QE    PHE   60 - HB    ILE   56   8.69 +/- 1.94   0.563% *  0.2245% (0.57   1.0   0.02   4.31) =   0.001%
          HN    LEU   63 - HB    ILE   56   9.65 +/- 1.25   0.331% *  0.1353% (0.34   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB    ILE   56  18.69 +/- 2.37   0.005% *  0.3965% (1.00   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB    ILE   56  22.93 +/- 1.43   0.001% *  0.3751% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2683 (7.34, 1.88, 41.57 ppm):
    8 chemical-shift based assignments, quality = 0.595, support = 1.88, residual support = 11.0:
          QD    PHE   55 - HB    ILE   56   4.85 +/- 1.04  42.058% * 61.6105% (0.41   2.74  18.72) =  56.697%  kept
          QE    PHE   95 - HB    ILE   56   5.15 +/- 2.49  57.790% * 34.2428% (0.84   0.75   0.99) =  43.300%  kept
          HD1   TRP   49 - HB    ILE   56  14.22 +/- 2.06   0.099% *  0.8355% (0.76   0.02   0.02) =   0.002%
          HN    LEU   67 - HB    ILE   56  15.23 +/- 1.19   0.035% *  1.0836% (0.99   0.02   0.02) =   0.001%
          HN    THR   23 - HB    ILE   56  20.40 +/- 1.99   0.006% *  0.9483% (0.87   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB    ILE   56  18.73 +/- 1.44   0.009% *  0.3729% (0.34   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB    ILE   56  23.86 +/- 1.71   0.002% *  0.6631% (0.61   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB    ILE   56  28.10 +/- 1.94   0.001% *  0.2434% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2684 (0.80, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.59, residual support = 123.4:
      O T QD1   ILE   56 - HB    ILE   56   2.61 +/- 0.39  99.980% * 99.4902% (0.87  10.0 10.00   4.59 123.41) = 100.000%  kept
        T QD2   LEU  123 - HB    ILE   56  14.43 +/- 2.05   0.009% *  0.2860% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB    ILE   56  15.58 +/- 1.71   0.005% *  0.1029% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HB    ILE   56  14.75 +/- 1.26   0.006% *  0.0696% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    ILE   56  21.95 +/- 1.17   0.000% *  0.0514% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2685 (0.80, 1.72, 31.79 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.94, residual support = 123.4:
      O T QD1   ILE   56 - QG1   ILE   56   1.91 +/- 0.01  99.994% * 98.2187% (0.87  10.0 10.00   3.94 123.41) = 100.000%  kept
        T QD2   LEU   73 - QG1   ILE   56  12.03 +/- 1.36   0.002% *  0.6868% (0.61   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QG1   ILE   56  12.71 +/- 1.14   0.001% *  1.0155% (0.90   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU  123 - QG1   ILE   56  12.04 +/- 1.32   0.002% *  0.0282% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   ILE   56  18.26 +/- 1.37   0.000% *  0.0508% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2686 (1.28, 0.79, 56.43 ppm):
    7 chemical-shift based assignments, quality = 0.723, support = 4.85, residual support = 123.4:
        T QG2   ILE   56 - QD1   ILE   56   2.73 +/- 0.65  99.533% * 98.5057% (0.72 10.00   4.85 123.41) = 100.000%  kept
          QG2   THR   77 - QD1   ILE   56   9.80 +/- 1.78   0.367% *  0.0255% (0.19  1.00   0.02   0.02) =   0.000%
        T QB    ALA   34 - QD1   ILE   56  15.34 +/- 1.11   0.005% *  1.1899% (0.87 10.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QD1   ILE   56   9.80 +/- 1.44   0.083% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
          QG2   THR   23 - QD1   ILE   56  16.25 +/- 1.98   0.004% *  0.1263% (0.93  1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - QD1   ILE   56  14.96 +/- 1.15   0.007% *  0.0398% (0.29  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   56  22.60 +/- 1.70   0.001% *  0.0730% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2687 (1.43, 0.79, 56.43 ppm):
    14 chemical-shift based assignments, quality = 0.796, support = 1.7, residual support = 2.31:
          QB    ALA  110 - QD1   ILE   56   5.47 +/- 3.42  21.931% * 63.6597% (0.85  1.00   2.20   3.37) =  65.384%  kept
          QB    ALA   61 - QD1   ILE   56   6.59 +/- 1.30  18.553% * 26.4761% (0.94  1.00   0.82   0.43) =  23.005%  kept
          HB3   LEU  115 - QD1   ILE   56   3.79 +/- 1.83  57.654% *  4.2688% (0.21  1.00   0.59   0.02) =  11.526%  kept
        T HD3   LYS+ 121 - QD1   ILE   56  11.61 +/- 1.40   0.784% *  1.7930% (0.26 10.00   0.02   0.02) =   0.066%
          QG    LYS+  66 - QD1   ILE   56  10.04 +/- 0.85   0.410% *  0.5594% (0.82  1.00   0.02   0.02) =   0.011%
          HB3   LEU   67 - QD1   ILE   56  13.65 +/- 1.62   0.079% *  0.6321% (0.93  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - QD1   ILE   56  12.38 +/- 2.23   0.190% *  0.1608% (0.24  1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QD1   ILE   56  13.98 +/- 1.61   0.065% *  0.4430% (0.65  1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - QD1   ILE   56  14.02 +/- 1.19   0.156% *  0.1436% (0.21  1.00   0.02   0.02) =   0.001%
          HG12  ILE   19 - QD1   ILE   56  16.28 +/- 2.04   0.028% *  0.5386% (0.79  1.00   0.02   0.02) =   0.001%
          HG    LEU   80 - QD1   ILE   56  16.93 +/- 2.29   0.021% *  0.5953% (0.87  1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - QD1   ILE   56  13.60 +/- 1.96   0.086% *  0.0995% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   56  16.31 +/- 2.59   0.028% *  0.2651% (0.39  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   56  19.36 +/- 1.38   0.016% *  0.3651% (0.54  1.00   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 2 structures by 0.40 A, kept.
 
    Peak 2688 (1.71, 0.79, 56.43 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 3.94, residual support = 123.4:
      O T QG1   ILE   56 - QD1   ILE   56   1.91 +/- 0.01  99.851% * 98.9931% (0.85  10.0 10.00   3.94 123.41) = 100.000%  kept
          HB3   MET   92 - QD1   ILE   56   7.71 +/- 2.18   0.085% *  0.0454% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   ILE   56   8.24 +/- 2.99   0.054% *  0.0341% (0.29   1.0  1.00   0.02   2.11) =   0.000%
          QD    LYS+ 106 - QD1   ILE   56   9.98 +/- 1.62   0.008% *  0.0844% (0.72   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   ILE   56  13.91 +/- 1.84   0.001% *  0.6249% (0.54   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   ILE   56  15.44 +/- 1.62   0.001% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   ILE   56  13.74 +/- 1.94   0.001% *  0.0414% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   56  16.48 +/- 1.15   0.000% *  0.0884% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2689 (1.89, 0.79, 56.43 ppm):
    10 chemical-shift based assignments, quality = 0.723, support = 4.59, residual support = 123.4:
      O T HB    ILE   56 - QD1   ILE   56   2.61 +/- 0.39  98.526% * 98.1990% (0.72  10.0 10.00   4.59 123.41) =  99.998%  kept
          HB3   PRO   58 - QD1   ILE   56   6.36 +/- 0.77   1.169% *  0.1152% (0.85   1.0  1.00   0.02   0.02) =   0.001%
          HB2   MET   92 - QD1   ILE   56   8.93 +/- 2.05   0.193% *  0.1274% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   ILE   56   8.97 +/- 1.25   0.100% *  0.0438% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   GLN   30 - QD1   ILE   56  18.00 +/- 1.68   0.002% *  1.2736% (0.94   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE   56  15.09 +/- 2.09   0.005% *  0.0320% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE   56  17.60 +/- 2.31   0.002% *  0.0397% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE   56  21.54 +/- 1.30   0.000% *  0.1152% (0.85   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE   56  19.16 +/- 1.55   0.001% *  0.0254% (0.19   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   11 - QD1   ILE   56  27.43 +/- 2.42   0.000% *  0.0286% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2690 (3.46, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 1.81, residual support = 8.52:
        T HA    LYS+ 112 - QD1   ILE   56   4.96 +/- 2.53  72.664% * 99.8480% (0.79 10.00   1.81   8.52) =  99.982%  kept
          HB    THR   46 - QD1   ILE   56   8.55 +/- 2.50  21.652% *  0.0407% (0.29  1.00   0.02   0.02) =   0.012%
          HB2   HIS  122 - QD1   ILE   56  11.16 +/- 1.84   5.649% *  0.0746% (0.54  1.00   0.02   0.02) =   0.006%
          HB2   HIS   22 - QD1   ILE   56  20.06 +/- 2.30   0.034% *  0.0367% (0.26  1.00   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 8 structures by 1.91 A, kept.
 
    Peak 2691 (4.46, 0.79, 56.43 ppm):
    6 chemical-shift based assignments, quality = 0.869, support = 3.04, residual support = 9.19:
          HA    ALA  110 - QD1   ILE   56   5.48 +/- 4.46  66.733% * 43.6131% (0.94   2.49   3.37) =  62.112%  kept
          HA    PHE   55 - QD1   ILE   56   4.98 +/- 0.79  31.839% * 55.7527% (0.76   3.94  18.72) =  37.884%  kept
          HA    VAL  107 - QD1   ILE   56   7.12 +/- 1.73   1.171% *  0.1327% (0.36   0.02   0.02) =   0.003%
          HA    GLN   90 - QD1   ILE   56  13.94 +/- 2.23   0.042% *  0.3345% (0.89   0.02   0.02) =   0.000%
          HA    VAL   42 - QD1   ILE   56  11.60 +/- 1.10   0.127% *  0.0787% (0.21   0.02   0.02) =   0.000%
          HA    ALA   91 - QD1   ILE   56  11.90 +/- 2.04   0.088% *  0.0882% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 5 structures by 0.45 A, kept.
 
    Peak 2692 (6.90, 0.79, 56.43 ppm):
    1 chemical-shift based assignment, quality = 0.821, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QD1   ILE   56  10.15 +/- 1.14 100.000% *100.0000% (0.82   0.02   0.02) = 100.000%  kept
    Distance limit 3.32 A violated in 20 structures by 6.83 A, eliminated.
    Peak unassigned.
 
    Peak 2693 (7.23, 0.79, 56.43 ppm):
    3 chemical-shift based assignments, quality = 0.292, support = 1.59, residual support = 20.7:
          HN    PHE   59 - QD1   ILE   56   3.71 +/- 0.53  99.397% * 93.1812% (0.29   1.59  20.70) =  99.978%  kept
          HN    HIS  122 - QD1   ILE   56  10.72 +/- 1.30   0.505% *  3.3034% (0.82   0.02   0.02) =   0.018%
          HH2   TRP   87 - QD1   ILE   56  16.09 +/- 2.51   0.098% *  3.5154% (0.87   0.02   0.02) =   0.004%
    Distance limit 3.41 A violated in 1 structures by 0.39 A, kept.
 
    Peak 2694 (7.39, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.424, support = 4.64, residual support = 33.1:
          HN    ALA   57 - QD1   ILE   56   3.70 +/- 0.86  95.246% * 98.3780% (0.42   4.64  33.13) =  99.982%  kept
          HE21  GLN  116 - QD1   ILE   56   8.19 +/- 1.97   4.729% *  0.3548% (0.36   0.02   0.02) =   0.018%
          HE21  GLN   90 - QD1   ILE   56  16.41 +/- 1.87   0.021% *  0.9124% (0.91   0.02   0.02) =   0.000%
          HD21  ASN   35 - QD1   ILE   56  22.96 +/- 1.72   0.003% *  0.3548% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.31 A, kept.
 
    Peak 2695 (7.61, 0.79, 56.43 ppm):
    5 chemical-shift based assignments, quality = 0.243, support = 5.68, residual support = 120.5:
          HN    ILE   56 - QD1   ILE   56   3.39 +/- 0.67  93.279% * 66.3295% (0.24   5.79 123.41) =  97.585%  kept
          QE    PHE   60 - QD1   ILE   56   7.17 +/- 1.87   4.832% * 31.5687% (0.54   1.21   4.31) =   2.406%  kept
          HN    LEU   63 - QD1   ILE   56   7.35 +/- 0.85   1.868% *  0.3135% (0.32   0.02   0.02) =   0.009%
          HZ2   TRP   87 - QD1   ILE   56  15.61 +/- 2.16   0.017% *  0.9190% (0.95   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   ILE   56  19.00 +/- 1.72   0.004% *  0.8693% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2696 (8.51, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.497, support = 1.73, residual support = 8.51:
          HN    LYS+ 112 - QD1   ILE   56   6.22 +/- 2.84  81.794% * 97.4170% (0.50   1.74   8.52) =  99.859%  kept
          HN    VAL   75 - QD1   ILE   56  11.09 +/- 2.20  15.270% *  0.4750% (0.21   0.02   0.02) =   0.091%
          HN    ASP-  78 - QD1   ILE   56  14.25 +/- 2.44   2.870% *  1.3802% (0.61   0.02   0.02) =   0.050%
          HN    MET   11 - QD1   ILE   56  27.78 +/- 2.87   0.066% *  0.7278% (0.32   0.02   0.02) =   0.001%
    Distance limit 3.65 A violated in 11 structures by 2.57 A, kept.
 
    Peak 2697 (3.18, 1.72, 31.79 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.0, residual support = 20.7:
        T HB3   PHE   59 - QG1   ILE   56   3.04 +/- 0.59  96.282% * 99.8494% (0.38 10.00   3.00  20.70) =  99.994%  kept
          HB2   PHE   95 - QG1   ILE   56   6.05 +/- 1.20   3.718% *  0.1506% (0.57  1.00   0.02   0.99) =   0.006%
    Distance limit 3.61 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2698 (3.35, 1.72, 31.79 ppm):
    6 chemical-shift based assignments, quality = 0.347, support = 2.52, residual support = 20.7:
        T HB2   PHE   59 - QG1   ILE   56   2.81 +/- 0.60  89.337% * 73.3060% (0.34 10.00   2.49  20.70) =  97.688%  kept
          QB    PHE   55 - QG1   ILE   56   5.04 +/- 0.71   5.933% * 25.9943% (0.61  1.00   3.99  18.72) =   2.300%  kept
          HD3   PRO   93 - QG1   ILE   56   7.31 +/- 2.88   3.643% *  0.1561% (0.73  1.00   0.02   0.02) =   0.008%
          HB3   CYS   53 - QG1   ILE   56   6.68 +/- 0.86   0.913% *  0.1927% (0.90  1.00   0.02   0.02) =   0.003%
          HD2   ARG+  54 - QG1   ILE   56   9.44 +/- 1.10   0.163% *  0.2033% (0.95  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - QG1   ILE   56  14.26 +/- 1.39   0.011% *  0.1476% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 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  10.31 +/- 0.81 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.87 A violated in 20 structures by 6.44 A, eliminated.
    Peak unassigned.
 
    Peak 2700 (7.21, 1.72, 31.79 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 1.97, residual support = 20.7:
          QD    PHE   59 - QG1   ILE   56   3.46 +/- 0.63  99.838% * 96.4505% (0.34   1.97  20.70) =  99.998%  kept
          HN    HIS  122 - QG1   ILE   56  11.27 +/- 1.04   0.119% *  1.1778% (0.41   0.02   0.02) =   0.001%
          HH2   TRP   87 - QG1   ILE   56  16.23 +/- 2.66   0.031% *  1.3945% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - QG1   ILE   56  17.09 +/- 1.57   0.012% *  0.9772% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2701 (7.61, 4.38, 60.23 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 5.05, residual support = 123.4:
      O   HN    ILE   56 - HA    ILE   56   2.86 +/- 0.16  99.210% * 98.8687% (0.25  10.0   5.05 123.41) =  99.998%  kept
          QE    PHE   60 - HA    ILE   56   8.75 +/- 1.79   0.638% *  0.2245% (0.57   1.0   0.02   4.31) =   0.001%
          HN    LEU   63 - HA    ILE   56   8.83 +/- 0.93   0.150% *  0.1353% (0.34   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    ILE   56  19.97 +/- 2.07   0.001% *  0.3965% (1.00   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    ILE   56  23.86 +/- 1.33   0.000% *  0.3751% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2702 (3.81, 1.64, 57.72 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.07, residual support = 25.0:
        T HD2   PRO   58 - QB    ALA   57   2.26 +/- 0.35  98.253% * 98.8080% (0.95 10.00   5.07  24.98) =  99.999%  kept
          HB2   CYS   53 - QB    ALA   57   5.62 +/- 1.53   1.746% *  0.0356% (0.34  1.00   0.02   0.02) =   0.001%
        T HA    VAL   83 - QB    ALA   57  17.59 +/- 1.78   0.001% *  1.0238% (0.98 10.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    ALA   57  22.33 +/- 2.67   0.000% *  0.1035% (0.99  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QB    ALA   57  22.54 +/- 2.16   0.000% *  0.0290% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2703 (7.44, 1.64, 57.72 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 4.87, residual support = 24.3:
      O   HN    ALA   57 - QB    ALA   57   2.34 +/- 0.43  99.757% * 98.4865% (0.18  10.0   4.87  24.32) = 100.000%  kept
          HE21  GLN  116 - QB    ALA   57  11.02 +/- 2.23   0.222% *  0.1252% (0.22   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - QB    ALA   57  13.56 +/- 2.17   0.007% *  0.4084% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - QB    ALA   57  12.99 +/- 0.94   0.009% *  0.3184% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - QB    ALA   57  14.94 +/- 1.01   0.003% *  0.1918% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - QB    ALA   57  16.93 +/- 1.17   0.001% *  0.4697% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2704 (7.42, 4.26, 57.40 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 4.48, residual support = 24.3:
      O   HN    ALA   57 - HA    ALA   57   2.76 +/- 0.17  99.956% * 99.6015% (0.57  10.0   4.48  24.32) = 100.000%  kept
          HE21  GLN  116 - HA    ALA   57  12.53 +/- 2.32   0.032% *  0.1138% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   57  14.26 +/- 0.71   0.006% *  0.1698% (0.97   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   57  15.51 +/- 2.35   0.005% *  0.0489% (0.28   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   57  19.03 +/- 1.24   0.001% *  0.0660% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2705 (1.65, 4.26, 57.40 ppm):
    12 chemical-shift based assignments, quality = 0.526, support = 2.81, residual support = 24.3:
      O T QB    ALA   57 - HA    ALA   57   2.13 +/- 0.01  99.599% * 98.9094% (0.53  10.0 10.00   2.81  24.32) = 100.000%  kept
          HD2   LYS+  74 - HA    ALA   57   9.36 +/- 2.76   0.143% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    ALA   57   8.16 +/- 2.86   0.235% *  0.0329% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    ALA   57  10.46 +/- 1.39   0.020% *  0.1686% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    ALA   57  15.56 +/- 1.01   0.001% *  0.1735% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    ALA   57  15.79 +/- 1.60   0.001% *  0.0915% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    ALA   57  17.98 +/- 2.26   0.000% *  0.1570% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    ALA   57  17.83 +/- 1.12   0.000% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    ALA   57  17.16 +/- 1.22   0.000% *  0.0290% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    ALA   57  24.30 +/- 2.13   0.000% *  0.1291% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    ALA   57  22.79 +/- 2.27   0.000% *  0.0580% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    ALA   57  21.22 +/- 1.99   0.000% *  0.0469% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2706 (8.06, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 0.02, residual support = 0.02:
          HN    CYS   53 - HB2   PRO   58  12.31 +/- 1.09  93.625% *  5.7685% (0.15   0.02   0.02) =  81.197%  kept
          HN    SER   85 - HB2   PRO   58  25.88 +/- 1.88   1.317% * 29.9364% (0.80   0.02   0.02) =   5.926%  kept
          HN    LEU   80 - HB2   PRO   58  22.68 +/- 1.87   2.830% * 11.5391% (0.31   0.02   0.02) =   4.910%  kept
          HN    GLN   32 - HB2   PRO   58  27.17 +/- 1.65   0.852% * 37.3861% (1.00   0.02   0.02) =   4.788%  kept
          HN    ALA   34 - HB2   PRO   58  25.12 +/- 1.70   1.376% * 15.3699% (0.41   0.02   0.02) =   3.179%  kept
    Distance limit 3.88 A violated in 20 structures by 8.29 A, eliminated.
    Peak unassigned.
 
    Peak 2707 (7.26, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 6.3, residual support = 40.7:
      O   HN    PHE   59 - HB3   PRO   58   4.08 +/- 0.35  94.356% * 99.6725% (0.61  10.0   6.30  40.67) =  99.994%  kept
          QE    PHE   59 - HB3   PRO   58   8.71 +/- 1.40   2.893% *  0.1360% (0.83   1.0   0.02  40.67) =   0.004%
          QD    PHE   60 - HB3   PRO   58   7.91 +/- 0.66   2.282% *  0.0382% (0.23   1.0   0.02   0.02) =   0.001%
          HN    LYS+  66 - HB3   PRO   58  10.61 +/- 0.81   0.384% *  0.1049% (0.64   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HB3   PRO   58  13.70 +/- 1.49   0.081% *  0.0272% (0.17   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PRO   58  23.97 +/- 2.59   0.004% *  0.0212% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.29 A, kept.
 
    Peak 2708 (3.81, 1.98, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.39, residual support = 147.4:
      O   HD2   PRO   58 - HG3   PRO   58   2.33 +/- 0.13  99.955% * 99.7269% (0.95  10.0   5.39 147.38) = 100.000%  kept
          HB2   CYS   53 - HG3   PRO   58  10.41 +/- 1.36   0.044% *  0.0360% (0.34   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   58  24.38 +/- 1.81   0.000% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   58  27.62 +/- 2.37   0.000% *  0.1045% (0.99   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   58  28.12 +/- 1.83   0.000% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2709 (4.42, 1.98, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 4.5, residual support = 147.4:
      O   HA    PRO   58 - HG3   PRO   58   3.88 +/- 0.02  99.855% * 99.2991% (0.76  10.0   4.50 147.38) = 100.000%  kept
          HA    THR   46 - HG3   PRO   58  13.52 +/- 1.64   0.076% *  0.1254% (0.97   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   58  15.03 +/- 1.71   0.036% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HG3   PRO   58  17.39 +/- 1.79   0.022% *  0.0488% (0.38   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   58  20.20 +/- 0.99   0.005% *  0.1040% (0.80   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   58  22.32 +/- 1.90   0.004% *  0.0788% (0.61   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   58  26.23 +/- 1.18   0.001% *  0.1040% (0.80   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   58  30.21 +/- 1.73   0.000% *  0.1199% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.23 A, kept.
 
    Peak 2710 (7.42, 3.81, 50.93 ppm):
    5 chemical-shift based assignments, quality = 0.536, support = 5.61, residual support = 25.0:
          HN    ALA   57 - HD2   PRO   58   2.14 +/- 0.65  98.354% * 98.5943% (0.54   5.61  24.98) =  99.993%  kept
          HE21  GLN  116 - HD2   PRO   58  10.64 +/- 2.70   1.634% *  0.4014% (0.61   0.02   0.02) =   0.007%
          HN    ALA  120 - HD2   PRO   58  13.39 +/- 1.24   0.010% *  0.5989% (0.91   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   58  18.70 +/- 1.29   0.001% *  0.2329% (0.36   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   58  17.88 +/- 2.29   0.001% *  0.1725% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2711 (4.42, 3.72, 50.93 ppm):
    16 chemical-shift based assignments, quality = 0.723, support = 6.52, residual support = 147.4:
      O   HA    PRO   58 - HD3   PRO   58   3.98 +/- 0.00  97.536% * 99.2639% (0.72  10.0   6.52 147.38) =  99.999%  kept
          HA    THR   46 - HD3   PRO   58  11.11 +/- 1.47   0.260% *  0.1254% (0.91   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HD3   PRO   58  14.09 +/- 1.41   0.059% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   68   9.50 +/- 1.47   0.788% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   68   9.92 +/- 1.24   0.555% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD3   PRO   58  15.14 +/- 1.60   0.050% *  0.0487% (0.36   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   68  10.44 +/- 1.07   0.359% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD3   PRO   58  19.17 +/- 0.88   0.008% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    LEU   40 - HD3   PRO   58  20.41 +/- 1.87   0.007% *  0.0788% (0.57   1.0   0.02   0.02) =   0.000%
          HA    VAL   42 - HD2   PRO   68  11.44 +/- 1.35   0.236% *  0.0022% (0.02   1.0   0.02   0.02) =   0.000%
          HA    PRO   58 - HD2   PRO   68  14.33 +/- 1.29   0.053% *  0.0044% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   68  15.18 +/- 1.59   0.040% *  0.0053% (0.04   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   68  15.07 +/- 1.68   0.041% *  0.0046% (0.03   1.0   0.02   0.02) =   0.000%
          HA    SER   13 - HD3   PRO   58  25.34 +/- 1.24   0.002% *  0.1040% (0.76   1.0   0.02   0.02) =   0.000%
          HA    SER   37 - HD3   PRO   58  28.51 +/- 1.74   0.001% *  0.1199% (0.87   1.0   0.02   0.02) =   0.000%
          HA    THR   46 - HD2   PRO   68  20.64 +/- 1.79   0.006% *  0.0055% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2712 (7.42, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.536, support = 3.94, residual support = 25.0:
          HN    ALA   57 - HD3   PRO   58   2.14 +/- 0.32  99.062% * 97.9024% (0.54   3.94  24.98) =  99.996%  kept
          HE21  GLN  116 - HD3   PRO   58   9.59 +/- 2.44   0.735% *  0.5676% (0.61   0.02   0.02) =   0.004%
          HN    ALA  120 - HD3   PRO   58  12.00 +/- 1.05   0.007% *  0.8468% (0.91   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   68   9.80 +/- 4.12   0.187% *  0.0146% (0.02   0.02   0.02) =   0.000%
          HN    ALA  124 - HD3   PRO   58  17.61 +/- 1.17   0.001% *  0.3293% (0.36   0.02   0.02) =   0.000%
          HN    ALA  120 - HD2   PRO   68  13.21 +/- 2.22   0.004% *  0.0375% (0.04   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD3   PRO   58  17.89 +/- 2.01   0.000% *  0.2440% (0.26   0.02   0.02) =   0.000%
          HE21  GLN  116 - HD2   PRO   68  15.70 +/- 1.83   0.001% *  0.0251% (0.03   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   68  13.31 +/- 1.52   0.002% *  0.0108% (0.01   0.02   0.02) =   0.000%
          HN    ALA   57 - HD2   PRO   68  17.42 +/- 1.86   0.001% *  0.0220% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2713 (1.64, 3.72, 50.93 ppm):
    18 chemical-shift based assignments, quality = 0.873, support = 3.3, residual support = 25.0:
          QB    ALA   57 - HD3   PRO   58   3.34 +/- 0.35  98.365% * 96.7335% (0.87   3.30  24.98) =  99.998%  kept
          HD2   LYS+  74 - HD3   PRO   58  12.23 +/- 2.13   0.111% *  0.6298% (0.94   0.02   0.02) =   0.001%
          QD    LYS+  65 - HD3   PRO   58  11.03 +/- 1.12   0.123% *  0.3093% (0.46   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD3   PRO   58  13.50 +/- 1.55   0.037% *  0.5698% (0.85   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   68  11.30 +/- 3.69   0.874% *  0.0182% (0.03   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD3   PRO   58  13.93 +/- 1.57   0.028% *  0.3343% (0.50   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   PRO   58  16.00 +/- 0.94   0.010% *  0.4110% (0.61   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD2   PRO   68   9.08 +/- 0.87   0.275% *  0.0137% (0.02   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   68  12.76 +/- 2.63   0.071% *  0.0148% (0.02   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   PRO   58  20.39 +/- 1.96   0.003% *  0.2612% (0.39   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   68  14.16 +/- 2.03   0.028% *  0.0182% (0.03   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   PRO   68  15.43 +/- 2.11   0.017% *  0.0279% (0.04   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   PRO   68  14.80 +/- 1.35   0.018% *  0.0260% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   PRO   58  23.23 +/- 1.64   0.001% *  0.4110% (0.61   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   PRO   68  13.87 +/- 1.73   0.036% *  0.0078% (0.01   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   PRO   58  25.14 +/- 1.61   0.001% *  0.1767% (0.26   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   68  24.63 +/- 2.39   0.001% *  0.0252% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   PRO   68  23.75 +/- 1.52   0.001% *  0.0116% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2714 (1.64, 3.81, 50.93 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 5.07, residual support = 25.0:
        T QB    ALA   57 - HD2   PRO   58   2.26 +/- 0.35  99.969% * 97.4262% (0.87 10.00   5.07  24.98) = 100.000%  kept
        T HD2   LYS+  74 - HD2   PRO   58  12.65 +/- 2.29   0.009% *  1.0461% (0.94 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD2   PRO   58  10.98 +/- 1.22   0.016% *  0.5137% (0.46 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   58  14.48 +/- 1.59   0.004% *  0.0947% (0.85  1.00   0.02   0.02) =   0.000%
        T HB    VAL   83 - HD2   PRO   58  20.95 +/- 1.97   0.000% *  0.4339% (0.39 10.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   58  15.45 +/- 1.76   0.002% *  0.0555% (0.50  1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   58  17.14 +/- 1.09   0.001% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   PRO   58  26.20 +/- 1.89   0.000% *  0.2934% (0.26 10.00   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   58  23.88 +/- 1.84   0.000% *  0.0683% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2715 (3.81, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 7.73, residual support = 147.4:
      O T HD2   PRO   58 - HD3   PRO   58   1.75 +/- 0.00  99.989% * 99.6708% (0.89  10.0 10.00   7.73 147.38) = 100.000%  kept
          HB2   CYS   53 - HD3   PRO   58   8.46 +/- 0.92   0.010% *  0.0359% (0.32   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   PRO   68  17.45 +/- 1.45   0.000% *  0.0441% (0.04   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD3   PRO   58  21.88 +/- 1.78   0.000% *  0.1033% (0.93   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD3   PRO   58  25.63 +/- 2.27   0.000% *  0.1044% (0.94   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD2   PRO   68  15.56 +/- 1.62   0.000% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD2   PRO   68  14.50 +/- 1.23   0.000% *  0.0013% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   58  26.24 +/- 1.80   0.000% *  0.0293% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   PRO   68  24.87 +/- 1.76   0.000% *  0.0046% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HD2   PRO   68  21.76 +/- 1.50   0.000% *  0.0016% (0.01   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2716 (3.72, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 7.73, residual support = 147.4:
      O T HD3   PRO   58 - HD2   PRO   58   1.75 +/- 0.00  99.991% * 99.5891% (0.95  10.0 10.00   7.73 147.38) = 100.000%  kept
          HA    ALA   61 - HD2   PRO   58   8.45 +/- 0.47   0.008% *  0.0446% (0.42   1.0  1.00   0.02   1.04) =   0.000%
        T HD2   PRO   68 - HD2   PRO   58  17.45 +/- 1.45   0.000% *  0.2769% (0.26   1.0 10.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   PRO   58  17.11 +/- 1.81   0.000% *  0.0893% (0.85   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2717 (7.24, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.65, residual support = 40.7:
          HN    PHE   59 - HD2   PRO   58   3.70 +/- 0.06  98.678% * 99.0700% (0.69   6.65  40.67) =  99.998%  kept
          QE    PHE   59 - HD2   PRO   58   8.72 +/- 0.94   1.289% *  0.1399% (0.32   0.02  40.67) =   0.002%
          HN    HIS  122 - HD2   PRO   58  14.99 +/- 1.48   0.029% *  0.4021% (0.93   0.02   0.02) =   0.000%
          HH2   TRP   87 - HD2   PRO   58  22.33 +/- 2.86   0.004% *  0.3880% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2718 (1.74, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 3.0, residual support = 20.7:
        T QG1   ILE   56 - HB3   PHE   59   3.04 +/- 0.59  99.992% * 99.6917% (0.53 10.00   3.00  20.70) = 100.000%  kept
          HB    ILE   89 - HB3   PHE   59  18.03 +/- 1.88   0.004% *  0.1857% (0.98  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   PHE   59  18.17 +/- 1.25   0.004% *  0.1226% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2719 (2.43, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.497, support = 0.58, residual support = 5.04:
          HB3   ASP-  62 - HB3   PHE   59   5.28 +/- 0.69  36.902% * 61.6982% (0.45   0.75   6.50) =  71.811%  kept
          QE    LYS+ 112 - HB3   PHE   59   6.24 +/- 2.37  37.729% * 13.6862% (0.80   0.09   0.45) =  16.286%  kept
          HB    VAL  107 - HB3   PHE   59   6.53 +/- 1.54  25.206% * 14.9521% (0.38   0.22   2.53) =  11.887%  kept
          HB3   PHE   45 - HB3   PHE   59  12.87 +/- 1.32   0.156% *  2.9385% (0.80   0.02   0.02) =   0.014%
          HB3   ASP-  86 - HB3   PHE   59  22.06 +/- 1.78   0.006% *  3.1833% (0.87   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HB3   PHE   59  27.05 +/- 1.75   0.002% *  3.5416% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.33 A, kept.
 
    Peak 2720 (1.75, 3.32, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 2.49, residual support = 20.7:
        T QG1   ILE   56 - HB2   PHE   59   2.81 +/- 0.60  99.953% * 99.0024% (0.18 10.00   2.49  20.70) = 100.000%  kept
          HB    VAL   43 - HB2   PHE   59  12.95 +/- 1.56   0.031% *  0.1928% (0.34  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HB2   PHE   59  17.20 +/- 2.17   0.006% *  0.3657% (0.65  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   PHE   59  17.37 +/- 2.11   0.004% *  0.1410% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB2   PHE   59  17.68 +/- 1.34   0.004% *  0.1410% (0.25  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HB2   PHE   59  22.27 +/- 2.54   0.001% *  0.1572% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2721 (7.23, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 4.98, residual support = 58.8:
      O   HN    PHE   59 - HB3   PHE   59   2.32 +/- 0.40  99.963% * 99.4232% (0.31  10.0   4.98  58.77) = 100.000%  kept
          HN    HIS  122 - HB3   PHE   59  10.28 +/- 1.06   0.037% *  0.2794% (0.87   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PHE   59  19.73 +/- 2.75   0.001% *  0.2974% (0.92   1.0   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2723 (7.25, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.37, residual support = 58.8:
      O   HN    PHE   59 - HB2   PHE   59   2.55 +/- 0.28  96.173% * 99.7763% (1.00  10.0   4.37  58.77) =  99.997%  kept
          QE    PHE   59 - HB2   PHE   59   4.47 +/- 0.04   3.762% *  0.0799% (0.80   1.0   0.02  58.77) =   0.003%
          HN    HIS  122 - HB2   PHE   59  10.57 +/- 0.89   0.027% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HB2   PHE   59   9.88 +/- 0.49   0.037% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   PHE   59  18.83 +/- 2.43   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 6.5:
          HB2   ASP-  62 - HA    PHE   59   3.32 +/- 0.40  99.861% * 97.0773% (0.99  1.00   1.50   6.50) =  99.997%  kept
        T QB    ASP- 113 - HA    PHE   59  11.04 +/- 0.75   0.114% *  2.2871% (0.18 10.00   0.02   0.02) =   0.003%
          HB2   PRO   52 - HA    PHE   59  13.81 +/- 0.90   0.025% *  0.6357% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2725 (2.48, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 2.96, residual support = 6.5:
          HB3   ASP-  62 - HA    PHE   59   2.95 +/- 0.75  99.146% * 85.4423% (0.18  1.00   2.96   6.50) =  99.988%  kept
          HG3   GLN  116 - HA    PHE   59   8.25 +/- 1.07   0.827% *  1.1256% (0.34  1.00   0.02   0.32) =   0.011%
          HG3   MET   96 - HA    PHE   59  14.92 +/- 1.51   0.024% *  1.7360% (0.53  1.00   0.02   0.02) =   0.000%
        T HB3   TRP   87 - HA    PHE   59  19.65 +/- 0.97   0.003% *  9.1744% (0.28 10.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    PHE   59  27.35 +/- 2.54   0.000% *  2.5217% (0.76  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2726 (7.25, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 58.8:
      O   HN    PHE   59 - HA    PHE   59   2.76 +/- 0.06  94.870% * 99.7763% (1.00  10.0   4.97  58.77) =  99.996%  kept
          QE    PHE   59 - HA    PHE   59   4.60 +/- 0.31   4.839% *  0.0799% (0.80   1.0   0.02  58.77) =   0.004%
          HN    LYS+  66 - HA    PHE   59   7.90 +/- 0.77   0.202% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HA    PHE   59   9.18 +/- 1.14   0.088% *  0.0605% (0.61   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HA    PHE   59  20.47 +/- 2.34   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2727 (8.20, 3.16, 39.73 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 4.01, residual support = 20.4:
          HN    PHE   60 - HB3   PHE   59   3.58 +/- 0.39  93.651% * 98.7568% (0.61   4.01  20.42) =  99.988%  kept
          HN    GLN  116 - HB3   PHE   59   6.43 +/- 0.88   5.229% *  0.1422% (0.18   0.02   0.32) =   0.008%
          HN    THR  118 - HB3   PHE   59   7.87 +/- 0.91   1.116% *  0.3048% (0.38   0.02  10.14) =   0.004%
          HN    GLU-  15 - HB3   PHE   59  19.77 +/- 1.11   0.004% *  0.7961% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2729 (7.28, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 3.94, residual support = 72.0:
          QD    PHE   60 - HA    PHE   60   2.55 +/- 0.37  94.791% * 99.1038% (1.00   3.94  72.03) =  99.992%  kept
          QE    PHE   59 - HA    PHE   60   5.29 +/- 1.25   4.976% *  0.1258% (0.25   0.02  20.42) =   0.007%
          HN    LYS+  66 - HA    PHE   60   7.32 +/- 0.35   0.233% *  0.3664% (0.73   0.02   0.02) =   0.001%
          HN    LYS+  81 - HA    PHE   60  21.05 +/- 1.74   0.000% *  0.4040% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2730 (8.20, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.94, residual support = 72.0:
      O   HN    PHE   60 - HA    PHE   60   2.81 +/- 0.04  99.917% * 99.7483% (0.61  10.0   4.94  72.03) = 100.000%  kept
          HN    THR  118 - HA    PHE   60  10.69 +/- 0.96   0.041% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    PHE   60  10.68 +/- 0.76   0.037% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    PHE   60  15.13 +/- 1.27   0.005% *  0.1612% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2731 (7.73, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 4.99, residual support = 41.9:
      O   HN    ALA   61 - HA    PHE   60   3.63 +/- 0.02  99.945% * 99.5823% (0.84  10.0   4.99  41.95) = 100.000%  kept
          HN    ALA   91 - HA    PHE   60  16.85 +/- 2.15   0.016% *  0.1069% (0.90   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    PHE   60  17.39 +/- 1.49   0.009% *  0.1182% (0.99   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    PHE   60  16.78 +/- 1.50   0.012% *  0.0535% (0.45   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    PHE   60  18.04 +/- 1.60   0.008% *  0.0627% (0.53   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    PHE   60  18.09 +/- 1.41   0.007% *  0.0580% (0.49   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    PHE   60  21.72 +/- 1.34   0.002% *  0.0184% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2732 (4.29, 3.40, 40.02 ppm):
    12 chemical-shift based assignments, quality = 0.154, support = 0.748, residual support = 0.746:
          HA    ALA   57 - HB2   PHE   60   3.38 +/- 0.49  98.395% * 42.7977% (0.15   0.75   0.75) =  99.730%  kept
          HA    ASP-  44 - HB2   PHE   60   7.97 +/- 1.38   1.462% *  7.3803% (1.00   0.02   0.25) =   0.256%
          HA1   GLY   51 - HB2   PHE   60  13.85 +/- 1.38   0.071% *  2.7761% (0.38   0.02   0.02) =   0.005%
          HB    THR   77 - HB2   PHE   60  15.43 +/- 1.84   0.022% *  7.2502% (0.98   0.02   0.02) =   0.004%
          HA    ILE  103 - HB2   PHE   60  17.18 +/- 1.66   0.014% *  6.8280% (0.92   0.02   0.02) =   0.002%
          HA    GLU-  14 - HB2   PHE   60  17.54 +/- 1.69   0.014% *  3.0409% (0.41   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB2   PHE   60  18.58 +/- 1.95   0.007% *  4.1877% (0.57   0.02   0.02) =   0.001%
          HA    THR   39 - HB2   PHE   60  18.53 +/- 1.93   0.008% *  3.6004% (0.49   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   PHE   60  21.56 +/- 1.90   0.002% *  7.2502% (0.98   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   PHE   60  23.25 +/- 2.42   0.003% *  3.8916% (0.53   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   PHE   60  26.44 +/- 2.58   0.001% *  7.3967% (1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   PHE   60  21.82 +/- 1.52   0.002% *  3.6004% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.06 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2733 (7.30, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.76, residual support = 72.0:
      O   QD    PHE   60 - HB2   PHE   60   2.38 +/- 0.15  98.272% * 99.7759% (0.76  10.0   3.76  72.03) = 100.000%  kept
          QD    PHE   55 - HB2   PHE   60   9.16 +/- 1.75   1.693% *  0.0258% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HB2   PHE   60   9.19 +/- 0.34   0.033% *  0.0363% (0.28   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   PHE   60  15.23 +/- 1.70   0.002% *  0.0326% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB2   PHE   60  20.02 +/- 1.82   0.000% *  0.1294% (0.99   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2734 (7.74, 3.40, 40.02 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 4.91, residual support = 41.9:
          HN    ALA   61 - HB2   PHE   60   2.63 +/- 0.36  99.983% * 95.7482% (0.38   4.91  41.95) = 100.000%  kept
          HN    ALA   91 - HB2   PHE   60  15.78 +/- 2.40   0.008% *  0.4660% (0.45   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   PHE   60  16.49 +/- 1.63   0.004% *  0.9322% (0.90   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   PHE   60  17.63 +/- 1.70   0.002% *  0.8323% (0.80   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   PHE   60  20.12 +/- 1.90   0.001% *  0.9595% (0.92   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   PHE   60  20.62 +/- 1.80   0.001% *  0.3546% (0.34   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   PHE   60  18.28 +/- 2.03   0.002% *  0.1604% (0.15   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   PHE   60  23.43 +/- 1.85   0.000% *  0.5469% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2735 (8.20, 3.40, 40.02 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.8, residual support = 72.0:
      O   HN    PHE   60 - HB2   PHE   60   2.21 +/- 0.36  99.986% * 99.7483% (0.61  10.0   4.80  72.03) = 100.000%  kept
          HN    THR  118 - HB2   PHE   60  12.26 +/- 0.73   0.005% *  0.0617% (0.38   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HB2   PHE   60  15.91 +/- 1.52   0.002% *  0.1612% (0.98   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   PHE   60  11.49 +/- 0.81   0.007% *  0.0288% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2736 (0.58, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.38, residual support = 12.0:
        T QD1   LEU   63 - HA    PHE   60   2.65 +/- 0.39  90.953% * 93.1043% (1.00 10.00   3.39  12.02) =  99.469%  kept
          QD2   LEU   63 - HA    PHE   60   4.58 +/- 0.60   8.565% *  5.2690% (0.57  1.00   2.00  12.02) =   0.530%  kept
          QD2   LEU  115 - HA    PHE   60   6.77 +/- 0.78   0.433% *  0.0778% (0.84  1.00   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    PHE   60  11.08 +/- 1.12   0.024% *  0.9310% (1.00 10.00   0.02   1.67) =   0.000%
        T QD1   LEU  104 - HA    PHE   60  12.11 +/- 1.26   0.013% *  0.5271% (0.57 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    PHE   60  14.11 +/- 1.73   0.006% *  0.0746% (0.80  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    PHE   60  14.39 +/- 1.65   0.005% *  0.0163% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 12.0:
        T HB2   LEU   63 - HA    PHE   60   2.71 +/- 0.42  95.395% * 98.8172% (0.92 10.00   1.50  12.02) =  99.994%  kept
          HB3   PRO   93 - HA    PHE   60   8.82 +/- 2.22   3.493% *  0.1238% (0.87  1.00   0.02   0.02) =   0.005%
          HB3   ASP-  44 - HA    PHE   60   6.84 +/- 2.05   1.036% *  0.1399% (0.98  1.00   0.02   0.25) =   0.002%
          QB    ALA  124 - HA    PHE   60  14.16 +/- 1.36   0.006% *  0.1424% (1.00  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    PHE   60  14.29 +/- 1.42   0.006% *  0.1377% (0.97  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   60  11.10 +/- 1.57   0.028% *  0.0220% (0.15  1.00   0.02   1.67) =   0.000%
          HG2   LYS+ 111 - HA    PHE   60  15.55 +/- 1.63   0.005% *  0.0866% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    PHE   60  13.07 +/- 1.24   0.013% *  0.0318% (0.22  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    PHE   60  16.32 +/- 1.65   0.003% *  0.1280% (0.90  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   60  13.28 +/- 0.75   0.009% *  0.0441% (0.31  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    PHE   60  18.01 +/- 2.05   0.001% *  0.1192% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    PHE   60  17.07 +/- 1.63   0.003% *  0.0487% (0.34  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    PHE   60  19.01 +/- 1.16   0.001% *  0.0980% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    PHE   60  21.87 +/- 1.65   0.001% *  0.0356% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   60  20.62 +/- 1.04   0.001% *  0.0250% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2739 (0.77, 3.74, 54.57 ppm):
    7 chemical-shift based assignments, quality = 0.345, support = 0.987, residual support = 3.23:
        T QG2   VAL   18 - HA    ALA   61   4.41 +/- 2.34  91.385% * 79.5374% (0.34 10.00   0.99   3.27) =  98.565%  kept
          QD1   ILE   56 - HA    ALA   61   8.46 +/- 1.51   6.741% * 15.5939% (0.61  1.00   1.09   0.43) =   1.425%  kept
        T QG1   VAL   41 - HA    ALA   61  14.55 +/- 0.86   0.079% *  3.6158% (0.76 10.00   0.02   0.02) =   0.004%
          QD2   LEU   73 - HA    ALA   61  10.24 +/- 1.09   0.572% *  0.4104% (0.87  1.00   0.02   0.02) =   0.003%
          QG2   THR   46 - HA    ALA   61  10.23 +/- 1.71   0.985% *  0.1180% (0.25  1.00   0.02   0.02) =   0.002%
          QG1   VAL   43 - HA    ALA   61  12.12 +/- 1.06   0.223% *  0.2679% (0.57  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HA    ALA   61  19.02 +/- 1.79   0.014% *  0.4566% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 11 structures by 1.19 A, kept.
 
    Peak 2740 (0.42, 3.74, 54.57 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.58, residual support = 7.46:
        T QB    ALA   64 - HA    ALA   61   2.81 +/- 0.41  99.789% * 98.7496% (0.34 10.00   2.58   7.46) = 100.000%  kept
          QD1   LEU  115 - HA    ALA   61   8.54 +/- 1.04   0.196% *  0.1639% (0.57  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   75 - HA    ALA   61  12.84 +/- 1.33   0.015% *  1.0865% (0.38 10.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2741 (6.47, 3.74, 54.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 0.75, residual support = 7.46:
          HN    ALA   64 - HA    ALA   61   3.56 +/- 0.20 100.000% *100.0000% (0.84   0.75   7.46) = 100.000%  kept
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2742 (7.74, 3.74, 54.57 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 2.76, residual support = 18.0:
      O   HN    ALA   61 - HA    ALA   61   2.80 +/- 0.04  99.994% * 98.9218% (0.38  10.0   2.76  17.99) = 100.000%  kept
          HN    TRP   27 - HA    ALA   61  18.26 +/- 1.92   0.001% *  0.2111% (0.80   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ALA   61  19.24 +/- 1.44   0.001% *  0.2433% (0.92   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ALA   61  19.53 +/- 1.52   0.001% *  0.2364% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ALA   61  19.66 +/- 2.21   0.001% *  0.1182% (0.45   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ALA   61  22.83 +/- 1.55   0.000% *  0.1387% (0.53   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    ALA   61  21.58 +/- 1.22   0.001% *  0.0899% (0.34   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ALA   61  21.30 +/- 2.16   0.001% *  0.0407% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2743 (7.27, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 3.81, residual support = 72.0:
      O   QD    PHE   60 - HB3   PHE   60   2.61 +/- 0.14  96.539% * 99.6845% (0.73  10.0   3.81  72.03) =  99.998%  kept
          QE    PHE   59 - HB3   PHE   60   6.39 +/- 1.54   1.762% *  0.0888% (0.65   1.0   0.02  20.42) =   0.002%
          HN    PHE   59 - HB3   PHE   60   5.34 +/- 0.52   1.647% *  0.0382% (0.28   1.0   0.02  20.42) =   0.001%
          HN    LYS+  66 - HB3   PHE   60   9.24 +/- 0.38   0.051% *  0.1370% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PHE   60  19.65 +/- 1.83   0.001% *  0.0515% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2744 (8.21, 2.97, 40.02 ppm):
    2 chemical-shift based assignments, quality = 0.198, support = 4.94, residual support = 72.0:
      O   HN    PHE   60 - HB3   PHE   60   2.70 +/- 0.40  99.994% * 99.5797% (0.20  10.0   4.94  72.03) = 100.000%  kept
          HN    GLU-  15 - HB3   PHE   60  15.78 +/- 1.73   0.006% *  0.4203% (0.84   1.0   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2745 (7.75, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.847, support = 0.02, residual support = 0.02:
          HD1   TRP   87 - HB3   PHE   60  15.91 +/- 1.59  41.907% * 23.9067% (0.95   0.02   0.02) =  52.534%  kept
          HN    THR   39 - HB3   PHE   60  19.34 +/- 1.87  13.047% * 23.3294% (0.92   0.02   0.02) =  15.961%  kept
          HN    TRP   27 - HB3   PHE   60  16.93 +/- 1.86  28.267% *  8.6206% (0.34   0.02   0.02) =  12.778%  kept
          HN    LYS+ 102 - HB3   PHE   60  19.73 +/- 1.70  11.981% * 20.2366% (0.80   0.02   0.02) =  12.714%  kept
          HN    GLU-  36 - HB3   PHE   60  22.62 +/- 1.85   4.797% * 23.9067% (0.95   0.02   0.02) =   6.013%  kept
    Distance limit 3.59 A violated in 20 structures by 9.96 A, eliminated.
    Peak unassigned.
 
    Peak 2746 (4.12, 1.35, 18.25 ppm):
    10 chemical-shift based assignments, quality = 0.329, support = 2.31, residual support = 5.56:
          HA    LYS+  81 - QB    ALA   84   2.27 +/- 0.27  99.989% * 58.7574% (0.33  1.00   2.31   5.56) =  99.999%  kept
        T HA    ASN   28 - QB    ALA   84  13.18 +/- 1.31   0.005% * 13.7637% (0.89 10.00   0.02   0.02) =   0.001%
        T HA    ALA   34 - QB    ALA   84  19.83 +/- 0.90   0.000% * 11.3947% (0.74 10.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   84  15.27 +/- 2.48   0.002% *  1.2933% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   84  17.86 +/- 1.03   0.001% *  1.3372% (0.87  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   84  14.04 +/- 0.63   0.003% *  0.2301% (0.15  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA   84  19.24 +/- 2.52   0.001% *  0.8441% (0.55  1.00   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   84  27.56 +/- 1.85   0.000% * 11.3947% (0.74 10.00   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   84  20.14 +/- 1.34   0.000% *  0.6130% (0.40  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA   84  23.51 +/- 1.30   0.000% *  0.3718% (0.24  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2747 (4.31, 1.35, 18.25 ppm):
    9 chemical-shift based assignments, quality = 0.184, support = 2.21, residual support = 19.4:
          HA    SER   85 - QB    ALA   84   3.78 +/- 0.05  38.191% * 37.5535% (0.15  1.00   2.33  20.74) =  93.634%  kept
          HA    ASP-  86 - QB    ALA   84   6.47 +/- 0.06   1.513% * 51.2542% (0.84  1.00   0.57   0.02) =   5.064%  kept
          HB    THR   77 - QB    ALA   84   3.84 +/- 1.90  59.322% *  0.3223% (0.15  1.00   0.02   0.02) =   1.248%  kept
          HA    TRP   87 - QB    ALA   84   7.06 +/- 0.31   0.898% *  0.5809% (0.27  1.00   0.02   0.02) =   0.034%
        T HA    ASP-  44 - QB    ALA   84  10.87 +/- 0.89   0.071% *  4.1343% (0.19 10.00   0.02   0.02) =   0.019%
          HA    LEU  104 - QB    ALA   84  19.80 +/- 2.31   0.003% *  2.0161% (0.93  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    ALA   84  23.02 +/- 1.46   0.001% *  1.9285% (0.89  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    ALA   84  25.96 +/- 3.34   0.001% *  1.7450% (0.81  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   84  27.58 +/- 4.03   0.001% *  0.4651% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2748 (7.60, 1.35, 18.25 ppm):
    7 chemical-shift based assignments, quality = 0.298, support = 4.33, residual support = 18.6:
      O   HN    ALA   84 - QB    ALA   84   2.01 +/- 0.04  99.975% * 98.8488% (0.30  10.0   4.33  18.58) = 100.000%  kept
          HZ2   TRP   87 - QB    ALA   84   8.62 +/- 0.38   0.017% *  0.2326% (0.70   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    ALA   84  11.24 +/- 1.41   0.004% *  0.2872% (0.87   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - QB    ALA   84  12.70 +/- 2.05   0.003% *  0.0561% (0.17   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - QB    ALA   84  15.55 +/- 1.93   0.001% *  0.2200% (0.66   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - QB    ALA   84  18.86 +/- 1.29   0.000% *  0.2564% (0.77   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QB    ALA   84  16.66 +/- 2.14   0.000% *  0.0988% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 2.95 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   2.62 +/- 0.08  97.918% * 98.8043% (0.77   3.87  20.74) =  99.996%  kept
          HN    LEU   80 - QB    ALA   84   5.25 +/- 0.64   2.070% *  0.1969% (0.30   0.02   0.02) =   0.004%
          HN    GLN   32 - QB    ALA   84  16.77 +/- 1.32   0.002% *  0.6381% (0.97   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   84  13.04 +/- 2.18   0.010% *  0.0984% (0.15   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    ALA   84  18.44 +/- 1.02   0.001% *  0.2623% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2751 (7.46, 1.48, 18.41 ppm):
    3 chemical-shift based assignments, quality = 0.928, support = 0.02, residual support = 24.2:
          HN    LEU  123 - QB    ALA  120   3.84 +/- 0.07  95.779% * 42.6516% (0.94   0.02  24.82) =  97.373%  kept
          HN    ALA  124 - QB    ALA  120   6.47 +/- 0.16   4.216% * 26.1005% (0.57   0.02   0.02) =   2.623%  kept
          HE21  GLN   17 - QB    ALA  120  19.96 +/- 1.35   0.005% * 31.2479% (0.69   0.02   0.02) =   0.004%
    Distance limit 2.76 A violated in 20 structures by 1.05 A, eliminated.
    Peak unassigned.
 
    Peak 2752 (4.25, 1.48, 18.41 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 1.99, residual support = 5.51:
        T HA    SER  117 - QB    ALA  120   3.13 +/- 0.34  99.953% * 99.1048% (0.54 10.00   1.99   5.51) = 100.000%  kept
          HA    ALA   57 - QB    ALA  120  13.88 +/- 0.64   0.016% *  0.1665% (0.89  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA  120  16.68 +/- 2.32   0.008% *  0.0996% (0.54  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA  120  13.95 +/- 1.51   0.020% *  0.0308% (0.17  1.00   0.02   0.02) =   0.000%
        T HB    THR   26 - QB    ALA  120  24.25 +/- 1.26   0.001% *  0.3918% (0.21 10.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    ALA  120  20.35 +/- 1.72   0.002% *  0.1209% (0.65  1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA  120  26.25 +/- 1.76   0.000% *  0.0856% (0.46  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2753 (7.73, 1.43, 17.92 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.02, residual support = 18.0:
      O   HN    ALA   61 - QB    ALA   61   2.05 +/- 0.08  99.976% * 99.3531% (0.97  10.0   4.02  17.99) = 100.000%  kept
          HN    ALA   91 - QB    ALA  110   9.79 +/- 1.92   0.014% *  0.0755% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA  110  11.72 +/- 2.44   0.006% *  0.0735% (0.71   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - QB    ALA   61  16.52 +/- 1.89   0.001% *  0.1020% (0.99   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA  110  15.07 +/- 1.59   0.001% *  0.0553% (0.54   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   61  16.68 +/- 1.73   0.000% *  0.0923% (0.90   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA  110  14.12 +/- 1.98   0.001% *  0.0212% (0.21   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   61  18.69 +/- 1.91   0.000% *  0.0748% (0.73   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   61  17.09 +/- 1.38   0.000% *  0.0286% (0.28   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA  110  20.34 +/- 2.02   0.000% *  0.0683% (0.66   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   61  17.96 +/- 1.19   0.000% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA  110  23.64 +/- 1.19   0.000% *  0.0235% (0.23   1.0   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2754 (8.76, 1.42, 18.06 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 2.12, residual support = 9.59:
      O   HN    ALA  110 - QB    ALA  110   2.62 +/- 0.29  99.830% * 99.6796% (0.87  10.0   2.12   9.59) = 100.000%  kept
          HN    PHE   45 - QB    ALA  110   9.94 +/- 2.10   0.068% *  0.0743% (0.65   1.0   0.02   0.02) =   0.000%
          HN    PHE   45 - QB    ALA   61  10.68 +/- 1.34   0.035% *  0.0550% (0.48   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA   61  10.58 +/- 1.18   0.043% *  0.0236% (0.21   1.0   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   61  13.25 +/- 1.96   0.010% *  0.0738% (0.64   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA  110  12.93 +/- 1.92   0.011% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA   61  18.91 +/- 1.78   0.001% *  0.0262% (0.23   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA  110  21.34 +/- 2.22   0.000% *  0.0355% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2755 (7.86, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 2.79, residual support = 8.34:
          HN    ASP-  62 - QB    ALA   61   2.79 +/- 0.16  94.883% * 96.2308% (1.00   2.79   8.34) =  99.985%  kept
          HN    PHE   55 - QB    ALA  110   7.02 +/- 3.74   4.038% *  0.2295% (0.33   0.02   0.16) =   0.010%
          HN    ARG+  54 - QB    ALA  110   7.83 +/- 3.37   0.921% *  0.4440% (0.64   0.02   0.02) =   0.004%
          HN    ARG+  54 - QB    ALA   61  10.03 +/- 1.03   0.055% *  0.6001% (0.87   0.02   0.02) =   0.000%
          HN    PHE   55 - QB    ALA   61   9.48 +/- 1.09   0.081% *  0.3101% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  62 - QB    ALA  110  12.41 +/- 2.13   0.018% *  0.5108% (0.74   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA   61  17.75 +/- 1.60   0.002% *  0.6781% (0.98   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA  110  21.63 +/- 1.52   0.000% *  0.5018% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA   61  20.03 +/- 1.16   0.001% *  0.2844% (0.41   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA  110  25.22 +/- 1.04   0.000% *  0.2105% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2756 (4.32, 2.65, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.873, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB2   ASP-  62  17.59 +/- 1.78  45.910% * 28.1529% (1.00   0.02   0.02) =  54.427%  kept
          HA    GLU-  14 - HB2   ASP-  62  18.12 +/- 1.20  37.703% * 21.5631% (0.76   0.02   0.02) =  34.235%  kept
          HA    ALA   12 - HB2   ASP-  62  23.83 +/- 1.46   7.274% * 18.2527% (0.65   0.02   0.02) =   5.591%  kept
          HA    TRP   87 - HB2   ASP-  62  24.51 +/- 1.04   5.961% * 12.6499% (0.45   0.02   0.02) =   3.175%  kept
          HA    ASP-  86 - HB2   ASP-  62  27.20 +/- 1.14   3.151% * 19.3814% (0.69   0.02   0.02) =   2.572%  kept
    Distance limit 3.43 A violated in 20 structures by 11.76 A, eliminated.
    Peak unassigned.
 
    Peak 2757 (4.32, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.815, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB3   ASP-  62  17.55 +/- 1.29  45.111% * 10.2586% (0.98  1.00   0.02   0.02) =  42.547%  kept
          HA    GLU-  14 - HB3   ASP-  62  18.18 +/- 1.15  37.307% *  7.8573% (0.75  1.00   0.02   0.02) =  26.950%  kept
        T HA    ASP-  86 - HB3   ASP-  62  26.75 +/- 0.89   3.582% * 70.6236% (0.67 10.00   0.02   0.02) =  23.256%  kept
          HA    ALA   12 - HB3   ASP-  62  23.95 +/- 1.55   6.998% *  6.6511% (0.63  1.00   0.02   0.02) =   4.279%  kept
          HA    TRP   87 - HB3   ASP-  62  24.07 +/- 1.12   7.003% *  4.6095% (0.44  1.00   0.02   0.02) =   2.968%  kept
    Distance limit 3.17 A violated in 20 structures by 12.06 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 = 3.78:
          HN    LYS+  65 - HA    ASP-  62   3.37 +/- 0.19 100.000% *100.0000% (0.15   1.01   3.78) = 100.000%  kept
    Distance limit 3.61 A violated in 0 structures by 0.01 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2759 (7.86, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 3.84, residual support = 41.0:
      O   HN    ASP-  62 - HA    ASP-  62   2.80 +/- 0.03  99.988% * 99.7294% (1.00  10.0   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HA    ASP-  62  15.31 +/- 0.82   0.004% *  0.0867% (0.87   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ASP-  62  14.09 +/- 0.92   0.007% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ASP-  62  21.97 +/- 1.02   0.000% *  0.0980% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ASP-  62  22.82 +/- 0.90   0.000% *  0.0411% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2760 (7.60, 2.65, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.25, residual support = 42.5:
          HN    LEU   63 - HB2   ASP-  62   3.18 +/- 0.57  99.866% * 98.7146% (0.97   5.25  42.50) = 100.000%  kept
          HN    ILE   56 - HB2   ASP-  62  10.84 +/- 0.72   0.105% *  0.3496% (0.90   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB2   ASP-  62  13.84 +/- 1.80   0.027% *  0.2051% (0.53   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASP-  62  21.74 +/- 1.65   0.001% *  0.1897% (0.49   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   ASP-  62  24.06 +/- 1.26   0.001% *  0.2677% (0.69   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   ASP-  62  24.43 +/- 1.43   0.001% *  0.2051% (0.53   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   ASP-  62  29.60 +/- 1.08   0.000% *  0.0683% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.02 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   2.80 +/- 0.43  99.992% * 99.6462% (0.69  10.0   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HB2   ASP-  62  14.32 +/- 0.83   0.007% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ASP-  62  23.28 +/- 1.16   0.000% *  0.1258% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ASP-  62  22.36 +/- 0.97   0.001% *  0.0880% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2762 (7.60, 2.45, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 5.25, residual support = 42.5:
          HN    LEU   63 - HB3   ASP-  62   2.89 +/- 0.46  99.905% * 98.7146% (0.95   5.25  42.50) = 100.000%  kept
          HN    ILE   56 - HB3   ASP-  62  10.32 +/- 0.91   0.075% *  0.3496% (0.88   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB3   ASP-  62  13.51 +/- 1.84   0.018% *  0.2051% (0.52   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   ASP-  62  21.35 +/- 1.34   0.001% *  0.1897% (0.48   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   ASP-  62  23.76 +/- 0.95   0.000% *  0.2677% (0.67   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   ASP-  62  23.97 +/- 1.35   0.001% *  0.2051% (0.52   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   ASP-  62  29.45 +/- 1.05   0.000% *  0.0683% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2763 (7.86, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.978, support = 3.84, residual support = 41.0:
      O   HN    ASP-  62 - HB3   ASP-  62   2.38 +/- 0.37  99.990% * 99.7294% (0.98  10.0   3.84  41.03) = 100.000%  kept
          HN    PHE   55 - HB3   ASP-  62  12.32 +/- 0.91   0.007% *  0.0448% (0.44   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB3   ASP-  62  13.79 +/- 0.88   0.003% *  0.0867% (0.85   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ASP-  62  22.16 +/- 0.73   0.000% *  0.0980% (0.96   1.0   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ASP-  62  23.26 +/- 1.05   0.000% *  0.0411% (0.40   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2764 (1.82, 3.50, 57.67 ppm):
    9 chemical-shift based assignments, quality = 0.973, support = 2.01, residual support = 5.25:
          QB    LYS+  66 - HA    LEU   63   2.76 +/- 0.59  93.722% * 47.6002% (1.00   1.91   5.49) =  93.855%  kept
          QB    LYS+  65 - HA    LEU   63   5.20 +/- 0.41   5.851% * 49.8996% (0.57   3.54   1.58) =   6.142%  kept
          HG    LEU  123 - HA    LEU   63   9.23 +/- 2.12   0.255% *  0.2818% (0.57   0.02   0.02) =   0.002%
          HB2   LEU   71 - HA    LEU   63  11.87 +/- 1.60   0.148% *  0.2619% (0.53   0.02   0.02) =   0.001%
          HB    VAL   41 - HA    LEU   63  14.10 +/- 1.14   0.009% *  0.4708% (0.95   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   63  14.87 +/- 1.95   0.005% *  0.4464% (0.90   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   63  16.53 +/- 1.58   0.004% *  0.4157% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   63  16.84 +/- 1.31   0.003% *  0.3419% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU   63  17.83 +/- 1.21   0.002% *  0.2818% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2765 (7.29, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 0.533, support = 1.58, residual support = 5.59:
          HN    LYS+  66 - HA    LEU   63   3.44 +/- 0.24  91.567% * 48.3016% (0.53   1.61   5.49) =  97.021%  kept
          QD    PHE   60 - HA    LEU   63   6.63 +/- 0.43   2.241% * 44.9552% (0.97   0.82  12.02) =   2.210%  kept
          QE    PHE   59 - HA    LEU   63   6.08 +/- 1.41   6.191% *  5.6634% (0.14   0.73   0.78) =   0.769%  kept
          HN    LYS+  81 - HA    LEU   63  25.29 +/- 1.36   0.001% *  1.0798% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2766 (7.59, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.54, residual support = 242.6:
      O   HN    LEU   63 - HA    LEU   63   2.78 +/- 0.04  99.983% * 99.6457% (1.00  10.0   7.54 242.62) = 100.000%  kept
          HN    ILE   56 - HA    LEU   63  13.14 +/- 0.83   0.010% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    LEU   63  15.18 +/- 1.97   0.005% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    LEU   63  19.55 +/- 1.78   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    LEU   63  21.33 +/- 1.18   0.001% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HA    LEU   63  23.36 +/- 1.52   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    LEU   63  25.92 +/- 0.82   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2767 (3.93, 1.34, 41.55 ppm):
    10 chemical-shift based assignments, quality = 0.487, support = 1.5, residual support = 12.0:
        T HA    PHE   60 - HB2   LEU   63   2.71 +/- 0.42  99.514% * 98.4768% (0.49 10.00   1.50  12.02) =  99.999%  kept
          QB    SER  117 - HB2   LEU   63  11.51 +/- 1.49   0.059% *  0.2644% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   LEU   63  10.15 +/- 1.58   0.094% *  0.1419% (0.53  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   LEU   63   7.74 +/- 0.23   0.245% *  0.0472% (0.18  1.00   0.02   1.58) =   0.000%
          HA    LYS+ 121 - HB2   LEU   63  11.83 +/- 1.67   0.037% *  0.2490% (0.92  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU   63  12.87 +/- 1.36   0.019% *  0.2340% (0.87  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU   63  11.22 +/- 0.91   0.028% *  0.0601% (0.22  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU   63  17.66 +/- 1.80   0.002% *  0.2603% (0.97  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU   63  18.00 +/- 1.92   0.002% *  0.2062% (0.76  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU   63  22.47 +/- 1.54   0.000% *  0.0601% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2768 (6.48, 1.34, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 7.31, residual support = 54.8:
          HN    ALA   64 - HB2   LEU   63   2.95 +/- 0.35 100.000% *100.0000% (0.57   7.31  54.82) = 100.000%  kept
    Distance limit 3.70 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 = 2.69, residual support = 18.0:
          QE    PHE   72 - HB2   LEU   63   4.04 +/- 1.36  99.891% * 99.3594% (0.99   2.69  18.02) = 100.000%  kept
          HN    ALA   47 - HB2   LEU   63  14.81 +/- 1.64   0.092% *  0.3342% (0.45   0.02   0.02) =   0.000%
          HD22  ASN   28 - HB2   LEU   63  19.87 +/- 1.47   0.017% *  0.3064% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 6 structures by 0.59 A, kept.
 
    Peak 2770 (7.59, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.95, residual support = 242.6:
      O   HN    LEU   63 - HB2   LEU   63   2.15 +/- 0.11  99.990% * 99.6457% (1.00  10.0   7.95 242.62) = 100.000%  kept
          HN    ILE   56 - HB2   LEU   63  11.00 +/- 0.90   0.007% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB2   LEU   63  13.66 +/- 2.14   0.002% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   LEU   63  17.63 +/- 1.89   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LEU   63  20.95 +/- 1.89   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LEU   63  19.65 +/- 1.49   0.000% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LEU   63  25.26 +/- 0.95   0.000% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2771 (7.84, 1.34, 41.55 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 4.54, residual support = 42.5:
          HN    ASP-  62 - HB2   LEU   63   4.41 +/- 0.07  99.669% * 98.5499% (0.76   4.54  42.50) =  99.999%  kept
          HN    PHE   55 - HB2   LEU   63  13.21 +/- 1.18   0.191% *  0.5091% (0.90   0.02   0.02) =   0.001%
          HN    ARG+  54 - HB2   LEU   63  14.18 +/- 1.15   0.109% *  0.2334% (0.41   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   LEU   63  17.92 +/- 1.10   0.024% *  0.4742% (0.84   0.02   0.02) =   0.000%
          HN    ALA   88 - HB2   LEU   63  21.98 +/- 1.65   0.007% *  0.2334% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.26 A, kept.
 
    Peak 2772 (6.48, 0.88, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.75, residual support = 54.8:
          HN    ALA   64 - HB3   LEU   63   3.51 +/- 0.51 100.000% *100.0000% (0.57   6.75  54.82) = 100.000%  kept
    Distance limit 4.03 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2773 (6.72, 0.88, 41.55 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.18, residual support = 18.0:
        T HZ    PHE   72 - HB3   LEU   63   4.29 +/- 1.85  99.755% * 99.9822% (0.87 10.00   3.18  18.02) = 100.000%  kept
          HZ2   TRP   27 - HB3   LEU   63  14.72 +/- 1.88   0.245% *  0.0178% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 6 structures by 0.94 A, kept.
 
    Peak 2774 (7.59, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.59, residual support = 242.6:
      O   HN    LEU   63 - HB3   LEU   63   3.42 +/- 0.09  99.915% * 99.6457% (1.00  10.0   7.59 242.62) = 100.000%  kept
          HN    ILE   56 - HB3   LEU   63  12.57 +/- 0.94   0.048% *  0.0990% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB3   LEU   63  14.60 +/- 2.24   0.024% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   LEU   63  17.51 +/- 2.23   0.007% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   LEU   63  19.28 +/- 1.73   0.004% *  0.0486% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LEU   63  21.38 +/- 2.10   0.002% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LEU   63  24.31 +/- 1.05   0.001% *  0.0308% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2775 (7.60, 1.06, 26.21 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 7.55, residual support = 242.6:
          HN    LEU   63 - HG    LEU   63   3.10 +/- 0.47  95.561% * 98.9412% (0.76   7.55 242.62) =  99.997%  kept
          QE    PHE   60 - HG    LEU   63   6.99 +/- 1.44   4.360% *  0.0678% (0.20   0.02  12.02) =   0.003%
          HN    ILE   56 - HG    LEU   63  11.56 +/- 1.20   0.044% *  0.2218% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG    LEU   63  13.30 +/- 2.49   0.026% *  0.0953% (0.28   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG    LEU   63  17.84 +/- 1.73   0.006% *  0.2620% (0.76   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG    LEU   63  20.16 +/- 1.42   0.002% *  0.3165% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - HG    LEU   63  21.57 +/- 1.50   0.001% *  0.0953% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2776 (3.94, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.135, support = 3.39, residual support = 12.0:
        T HA    PHE   60 - QD1   LEU   63   2.65 +/- 0.39  98.109% * 88.3934% (0.14 10.00   3.39  12.02) =  99.992%  kept
          HA    ALA  120 - QD1   LEU   63   8.21 +/- 1.50   0.302% *  0.6178% (0.95  1.00   0.02   0.02) =   0.002%
          HA    LYS+ 121 - QD1   LEU   63   8.94 +/- 1.67   0.194% *  0.6029% (0.92  1.00   0.02   0.02) =   0.001%
          HA    LYS+ 121 - QD1   LEU  104   8.05 +/- 2.88   0.654% *  0.1476% (0.23  1.00   0.02   0.02) =   0.001%
          QB    SER  117 - QD1   LEU   63   8.39 +/- 1.56   0.211% *  0.3962% (0.61  1.00   0.02   0.02) =   0.001%
          HB    THR   94 - QD1   LEU   63   9.20 +/- 1.46   0.101% *  0.6303% (0.97  1.00   0.02   0.02) =   0.001%
          HA    LYS+  65 - QD1   LEU   63   8.38 +/- 0.31   0.121% *  0.3698% (0.57  1.00   0.02   1.58) =   0.001%
        T HA    PHE   60 - QD1   LEU   73  11.08 +/- 1.12   0.028% *  0.8839% (0.14 10.00   0.02   1.67) =   0.000%
          HB    THR   94 - QD1   LEU   73  11.07 +/- 0.83   0.028% *  0.6303% (0.97  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU   63  11.09 +/- 0.78   0.023% *  0.4225% (0.65  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  104  13.19 +/- 1.65   0.050% *  0.1543% (0.24  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD1   LEU  104  10.87 +/- 2.57   0.048% *  0.1512% (0.23  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU   73  12.94 +/- 1.14   0.012% *  0.4225% (0.65  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   63  14.56 +/- 1.41   0.009% *  0.5666% (0.87  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU   73  14.33 +/- 1.29   0.007% *  0.6517% (1.00  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU  104  10.75 +/- 1.41   0.038% *  0.0970% (0.15  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU   73  13.12 +/- 0.73   0.009% *  0.4225% (0.65  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU   63  14.78 +/- 1.53   0.005% *  0.6517% (1.00  1.00   0.02   0.02) =   0.000%
        T HA    PHE   60 - QD1   LEU  104  12.11 +/- 1.26   0.015% *  0.2164% (0.03 10.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU   73  13.49 +/- 0.86   0.008% *  0.3698% (0.57  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD1   LEU   73  17.12 +/- 2.00   0.003% *  0.6029% (0.92  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD1   LEU   73  17.86 +/- 1.77   0.002% *  0.6178% (0.95  1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU   73  16.66 +/- 1.27   0.003% *  0.3962% (0.61  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   73  18.95 +/- 1.89   0.002% *  0.5666% (0.87  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  104  19.20 +/- 3.03   0.007% *  0.1034% (0.16  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU   63  17.70 +/- 1.38   0.002% *  0.4225% (0.65  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU  104  14.49 +/- 1.35   0.005% *  0.0905% (0.14  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU  104  15.99 +/- 1.96   0.003% *  0.1034% (0.16  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  104  20.41 +/- 2.71   0.002% *  0.1595% (0.24  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  104  22.40 +/- 3.00   0.001% *  0.1387% (0.21  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2777 (6.37, 0.58, 26.34 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 2.55, residual support = 24.0:
        T HZ3   TRP   27 - QD1   LEU   73   4.57 +/- 1.36  83.975% * 98.4449% (0.49 10.00   2.55  23.98) =  99.966%  kept
          HZ    PHE   45 - QD1   LEU   73   7.60 +/- 1.28  10.434% *  0.1469% (0.73  1.00   0.02   0.02) =   0.019%
        T HZ3   TRP   27 - QD1   LEU   63  11.53 +/- 1.86   0.554% *  0.9844% (0.49 10.00   0.02   0.02) =   0.007%
        T HZ3   TRP   27 - QD1   LEU  104  12.57 +/- 2.55   2.055% *  0.2410% (0.12 10.00   0.02   0.02) =   0.006%
          HZ    PHE   45 - QD1   LEU   63  10.97 +/- 1.86   1.358% *  0.1469% (0.73  1.00   0.02   0.02) =   0.002%
          HZ    PHE   45 - QD1   LEU  104  12.83 +/- 2.65   1.624% *  0.0359% (0.18  1.00   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 11 structures by 1.16 A, kept.
 
    Peak 2778 (7.28, 0.58, 26.34 ppm):
    15 chemical-shift based assignments, quality = 0.674, support = 1.14, residual support = 6.22:
          QE    PHE   59 - QD1   LEU   63   2.93 +/- 1.62  77.477% * 12.8000% (0.49   0.77   0.78) =  50.993%  kept
          QD    PHE   60 - QD1   LEU   63   3.82 +/- 0.78  20.693% * 45.1261% (0.87   1.53  12.02) =  48.014%  kept
          HN    LYS+  66 - QD1   LEU   63   6.32 +/- 0.24   0.490% * 39.0579% (0.95   1.21   5.49) =   0.984%  kept
          HN    PHE   59 - QD1   LEU   63   5.63 +/- 0.67   1.141% *  0.1190% (0.18   0.02   0.78) =   0.007%
          QD    PHE   60 - QD1   LEU   73   9.13 +/- 1.04   0.056% *  0.5896% (0.87   0.02   1.67) =   0.002%
          QE    PHE   59 - QD1   LEU  104   9.40 +/- 1.55   0.076% *  0.0810% (0.12   0.02   0.02) =   0.000%
          QE    PHE   59 - QD1   LEU   73  11.62 +/- 2.12   0.013% *  0.3308% (0.49   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU   73  12.25 +/- 1.58   0.012% *  0.3576% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD1   LEU   73  13.27 +/- 0.33   0.006% *  0.6430% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD1   LEU  104  12.34 +/- 1.57   0.014% *  0.1574% (0.23   0.02   0.02) =   0.000%
          QD    PHE   60 - QD1   LEU  104  11.81 +/- 1.57   0.013% *  0.1443% (0.21   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU   63  18.47 +/- 1.61   0.001% *  0.3576% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU   73  14.94 +/- 1.12   0.003% *  0.1190% (0.18   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU  104  14.71 +/- 1.71   0.004% *  0.0291% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  104  21.86 +/- 3.10   0.000% *  0.0875% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2779 (7.60, 0.58, 26.34 ppm):
    21 chemical-shift based assignments, quality = 0.759, support = 6.27, residual support = 231.4:
          HN    LEU   63 - QD1   LEU   63   3.53 +/- 0.24  70.386% * 68.8296% (0.76   6.49 242.62) =  95.282%  kept
          HD21  ASN   28 - QD1   LEU   73   5.67 +/- 0.89   6.249% * 23.9393% (0.92   1.87   1.85) =   2.942%  kept
          QE    PHE   60 - QD1   LEU   63   5.15 +/- 1.18  16.742% *  5.3531% (0.20   1.95  12.02) =   1.763%  kept
          HZ2   TRP   87 - QD1   LEU   73   7.51 +/- 1.86   1.643% *  0.2122% (0.76   0.02   0.02) =   0.007%
          HZ2   TRP   87 - QD1   LEU  104  13.56 +/- 3.88   3.450% *  0.0519% (0.19   0.02   0.02) =   0.004%
          HN    ILE   56 - QD1   LEU   63   8.87 +/- 0.86   0.358% *  0.1796% (0.65   0.02   0.02) =   0.001%
          QE    PHE   60 - QD1   LEU   73   8.28 +/- 1.33   0.610% *  0.0550% (0.20   0.02   1.67) =   0.001%
          HN    LYS+ 111 - QD1   LEU   63  10.11 +/- 2.29   0.251% *  0.0772% (0.28   0.02   0.02) =   0.000%
          HN    LEU   63 - QD1   LEU   73  12.67 +/- 0.70   0.035% *  0.2122% (0.76   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU   63  13.42 +/- 1.70   0.031% *  0.2122% (0.76   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   73  11.25 +/- 1.18   0.075% *  0.0772% (0.28   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU   63  15.60 +/- 1.23   0.011% *  0.2564% (0.92   0.02   0.02) =   0.000%
          HN    LEU   63 - QD1   LEU  104  12.13 +/- 1.26   0.048% *  0.0519% (0.19   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU   73  16.17 +/- 1.12   0.008% *  0.1796% (0.65   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU  104  15.33 +/- 1.89   0.016% *  0.0627% (0.23   0.02   0.02) =   0.000%
          QE    PHE   60 - QD1   LEU  104  12.20 +/- 1.93   0.047% *  0.0135% (0.05   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   63  16.51 +/- 1.71   0.008% *  0.0772% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   73  17.75 +/- 1.82   0.005% *  0.0772% (0.28   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU  104  17.29 +/- 2.49   0.006% *  0.0440% (0.16   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU  104  15.89 +/- 1.41   0.010% *  0.0189% (0.07   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU  104  19.24 +/- 3.10   0.008% *  0.0189% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.03 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   2.82 +/- 0.04 100.000% *100.0000% (0.97  10.0   4.22  20.84) = 100.000%  kept
    Distance limit 3.49 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 = 0.699, support = 2.58, residual support = 36.8:
        T HZ    PHE   72 - HA    ALA   64   2.88 +/- 0.58  66.115% * 39.4733% (0.57 10.00   2.17  36.83) =  56.019%  kept
        T QD    PHE   72 - HA    ALA   64   3.42 +/- 0.57  33.879% * 60.4788% (0.87 10.00   3.10  36.83) =  43.981%  kept
          QE    PHE   45 - HA    ALA   64  13.68 +/- 1.41   0.006% *  0.0479% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.865, support = 1.05, residual support = 3.83:
          HN    LEU   67 - HA    ALA   64   3.16 +/- 0.27  98.794% * 78.0289% (0.87   1.05   3.84) =  99.753%  kept
          QE    PHE   95 - HA    ALA   64   8.14 +/- 1.56   1.144% * 16.6646% (0.98   0.20   0.02) =   0.247%
          QD    PHE   55 - HA    ALA   64  15.46 +/- 2.03   0.032% *  1.1054% (0.65   0.02   0.02) =   0.000%
          HE3   TRP   27 - HA    ALA   64  15.23 +/- 1.63   0.018% *  0.9674% (0.57   0.02   0.02) =   0.000%
          HN    THR   23 - HA    ALA   64  16.70 +/- 1.23   0.006% *  1.6936% (0.99   0.02   0.02) =   0.000%
          HD2   HIS   22 - HA    ALA   64  17.22 +/- 1.24   0.004% *  0.6413% (0.38   0.02   0.02) =   0.000%
          HD1   TRP   49 - HA    ALA   64  22.38 +/- 2.74   0.002% *  0.8990% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2786 (0.76, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.832, support = 2.31, residual support = 8.54:
          QG2   VAL   18 - QB    ALA   64   3.19 +/- 1.49  91.372% * 59.8049% (0.84   2.30   8.61) =  99.222%  kept
          QD2   LEU   73 - QB    ALA   64   6.65 +/- 0.74   1.097% * 37.6928% (0.38   3.23   0.02) =   0.751%  kept
          QD1   ILE   19 - QB    ALA   64   6.94 +/- 1.34   2.696% *  0.2334% (0.38   0.02   0.02) =   0.011%
          QD1   ILE   56 - QB    ALA   64   8.54 +/- 1.34   3.923% *  0.1089% (0.18   0.02   0.02) =   0.008%
          QG2   THR   46 - QB    ALA   64   9.18 +/- 1.34   0.352% *  0.4516% (0.73   0.02   0.02) =   0.003%
          QG1   VAL   43 - QB    ALA   64   8.88 +/- 0.71   0.259% *  0.6096% (0.98   0.02   0.02) =   0.003%
          QG1   VAL   41 - QB    ALA   64  10.07 +/- 0.56   0.176% *  0.6164% (0.99   0.02   0.02) =   0.002%
          QD2   LEU  104 - QB    ALA   64  11.80 +/- 1.09   0.110% *  0.1551% (0.25   0.02   0.02) =   0.000%
          HG    LEU   31 - QB    ALA   64  13.70 +/- 1.39   0.015% *  0.3272% (0.53   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 2 structures by 0.46 A, kept.
 
    Peak 2787 (1.44, 0.40, 18.57 ppm):
    13 chemical-shift based assignments, quality = 0.923, support = 1.29, residual support = 6.56:
          QB    ALA   61 - QB    ALA   64   4.08 +/- 0.28  64.538% * 17.3158% (0.92   1.19   7.46) =  66.659%  kept
          HB3   LEU   67 - QB    ALA   64   5.44 +/- 0.56  14.029% * 21.6021% (0.99   1.39   3.84) =  18.076%  kept
          QG    LYS+  66 - QB    ALA   64   6.18 +/- 0.53   5.752% * 29.7889% (0.98   1.93   8.13) =  10.221%  kept
          HG12  ILE   19 - QB    ALA   64   7.41 +/- 1.47   4.536% *  8.2133% (0.65   0.81   0.02) =   2.222%  kept
          HG    LEU   67 - QB    ALA   64   6.13 +/- 0.98   9.272% *  3.2004% (0.28   0.73   3.84) =   1.770%  kept
          HG    LEU   73 - QB    ALA   64   8.41 +/- 0.85   0.931% * 18.8085% (0.87   1.38   0.02) =   1.045%  kept
          HG    LEU   40 - QB    ALA   64   9.53 +/- 1.00   0.488% *  0.1179% (0.38   0.02   0.02) =   0.003%
          HB3   LEU  115 - QB    ALA   64  10.87 +/- 1.16   0.217% *  0.1179% (0.38   0.02   0.02) =   0.002%
          QB    ALA  110 - QB    ALA   64  12.87 +/- 1.67   0.084% *  0.2281% (0.73   0.02   0.02) =   0.001%
          HG    LEU   80 - QB    ALA   64  15.31 +/- 1.59   0.027% *  0.2401% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   64  13.72 +/- 2.11   0.089% *  0.0485% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QB    ALA   64  17.94 +/- 1.49   0.010% *  0.2401% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   64  15.32 +/- 1.14   0.026% *  0.0783% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2788 (1.44, 2.84, 53.98 ppm):
    13 chemical-shift based assignments, quality = 0.927, support = 1.87, residual support = 4.55:
          HB3   LEU   67 - HA    ALA   64   4.39 +/- 0.79  57.926% * 33.9219% (0.99   1.84   3.84) =  74.481%  kept
          QG    LYS+  66 - HA    ALA   64   6.27 +/- 0.59   8.987% * 42.7772% (0.98   2.35   8.13) =  14.572%  kept
          HG    LEU   67 - HA    ALA   64   5.27 +/- 0.99  25.994% *  8.6012% (0.28   1.66   3.84) =   8.475%  kept
          QB    ALA   61 - HA    ALA   64   6.58 +/- 0.20   5.034% * 12.8694% (0.92   0.75   7.46) =   2.455%  kept
          HG12  ILE   19 - HA    ALA   64   9.58 +/- 1.52   0.909% *  0.2405% (0.65   0.02   0.02) =   0.008%
          HG    LEU   73 - HA    ALA   64  10.21 +/- 0.84   0.368% *  0.3225% (0.87   0.02   0.02) =   0.004%
          HG    LEU   40 - HA    ALA   64   9.75 +/- 0.99   0.552% *  0.1395% (0.38   0.02   0.02) =   0.003%
          HB3   LEU  115 - HA    ALA   64  13.24 +/- 1.32   0.090% *  0.1395% (0.38   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    ALA   64  16.05 +/- 1.77   0.027% *  0.2700% (0.73   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   64  15.06 +/- 3.04   0.091% *  0.0574% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   64  19.50 +/- 1.84   0.008% *  0.2841% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   64  19.98 +/- 1.77   0.007% *  0.2841% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   64  19.54 +/- 1.31   0.007% *  0.0927% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2789 (2.28, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 2.48, residual support = 36.8:
        T HB3   PHE   72 - QB    ALA   64   3.46 +/- 0.98  93.048% * 99.3598% (0.76 10.00   2.48  36.83) =  99.992%  kept
          QG    GLU-  15 - QB    ALA   64   7.04 +/- 0.97   2.954% *  0.1230% (0.95  1.00   0.02   0.02) =   0.004%
          HB2   ASP-  44 - QB    ALA   64   7.10 +/- 1.15   1.910% *  0.1128% (0.87  1.00   0.02   0.02) =   0.002%
          QG    GLU-  14 - QB    ALA   64   8.62 +/- 1.28   0.866% *  0.1086% (0.84  1.00   0.02   0.02) =   0.001%
          HG12  ILE  119 - QB    ALA   64   9.25 +/- 0.88   1.147% *  0.0443% (0.34  1.00   0.02   0.02) =   0.001%
          QB    MET   11 - QB    ALA   64  15.56 +/- 1.09   0.033% *  0.1166% (0.90  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QB    ALA   64  17.48 +/- 1.68   0.012% *  0.0893% (0.69  1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    ALA   64  16.19 +/- 1.36   0.022% *  0.0228% (0.18  1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    ALA   64  17.93 +/- 1.85   0.008% *  0.0228% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 1 structures by 0.20 A, kept.
 
    Peak 2790 (3.74, 0.40, 18.57 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 2.58, residual support = 7.46:
        T HA    ALA   61 - QB    ALA   64   2.81 +/- 0.41  99.149% * 99.8142% (1.00 10.00   2.58   7.46) =  99.999%  kept
          HD2   PRO   68 - QB    ALA   64   6.85 +/- 0.93   0.721% *  0.0923% (0.92  1.00   0.02   0.02) =   0.001%
          HD3   PRO   58 - QB    ALA   64   9.26 +/- 0.56   0.089% *  0.0487% (0.49  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   64  11.39 +/- 1.01   0.032% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   64  14.19 +/- 1.44   0.009% *  0.0198% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 1.83, residual support = 8.61:
          HA    VAL   18 - QB    ALA   64   3.67 +/- 1.34  95.066% * 92.8637% (0.90   1.84   8.61) =  99.972%  kept
          HA    VAL   70 - QB    ALA   64   7.62 +/- 0.71   3.458% *  0.4639% (0.41   0.02   0.02) =   0.018%
          HD2   PRO   52 - QB    ALA   64  15.25 +/- 1.33   0.622% *  0.5937% (0.53   0.02   0.02) =   0.004%
          HA    GLN  116 - QB    ALA   64  11.43 +/- 0.80   0.667% *  0.4639% (0.41   0.02   0.02) =   0.004%
          HA    SER   48 - QB    ALA   64  15.26 +/- 1.46   0.101% *  1.0674% (0.95   0.02   0.02) =   0.001%
          HA    LYS+  33 - QB    ALA   64  15.50 +/- 1.43   0.029% *  0.8194% (0.73   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   64  16.57 +/- 1.32   0.019% *  0.9788% (0.87   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   64  16.80 +/- 1.30   0.019% *  0.8194% (0.73   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    ALA   64  19.32 +/- 1.17   0.010% *  1.0674% (0.95   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    ALA   64  20.17 +/- 1.41   0.009% *  0.8624% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 1 structures by 0.38 A, kept.
 
    Peak 2792 (4.44, 0.40, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.486, support = 1.22, residual support = 2.44:
        T HA    GLN   17 - QB    ALA   64   3.51 +/- 1.30  94.199% * 94.1683% (0.49 10.00   1.22   2.44) =  99.851%  kept
        T HA    PHE   55 - QB    ALA   64  12.55 +/- 1.96   4.562% *  2.1734% (0.69 10.00   0.02   0.02) =   0.112%
        T HA    VAL   42 - QB    ALA   64   8.32 +/- 0.88   1.072% *  3.1014% (0.98 10.00   0.02   0.02) =   0.037%
          HA    THR   46 - QB    ALA   64  11.72 +/- 1.35   0.103% *  0.1301% (0.41  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   64  14.37 +/- 2.43   0.038% *  0.1188% (0.38  1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   64  15.79 +/- 1.35   0.016% *  0.1540% (0.49  1.00   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   64  18.15 +/- 1.89   0.009% *  0.1540% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 1 structures by 0.27 A, kept.
 
    Peak 2793 (8.27, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 2.25, residual support = 8.61:
          HN    VAL   18 - QB    ALA   64   4.05 +/- 1.45  99.206% * 99.5979% (1.00   2.25   8.61) =  99.998%  kept
          HN    SER   13 - QB    ALA   64  12.70 +/- 1.43   0.717% *  0.2467% (0.28   0.02   0.02) =   0.002%
          HN    GLU-  29 - QB    ALA   64  15.73 +/- 1.34   0.077% *  0.1554% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 2 structures by 0.55 A, kept.
 
    Peak 2795 (6.70, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.859, support = 4.91, residual support = 36.8:
        T QD    PHE   72 - QB    ALA   64   2.83 +/- 0.72  84.095% * 86.1617% (0.87 10.00   4.92  36.83) =  97.072%  kept
          HZ    PHE   72 - QB    ALA   64   4.01 +/- 0.44  15.873% * 13.7701% (0.57  1.00   4.90  36.83) =   2.928%  kept
          QE    PHE   45 - QB    ALA   64  11.02 +/- 1.30   0.032% *  0.0682% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 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   2.05 +/- 0.07 100.000% *100.0000% (0.57  10.0   4.22  20.84) = 100.000%  kept
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2797 (6.92, 3.96, 58.29 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.09, residual support = 164.2:
      O   HN    LYS+  65 - HA    LYS+  65   2.82 +/- 0.04  99.994% * 99.9887% (0.71  10.0   6.09 164.17) = 100.000%  kept
          HN    LYS+  65 - HA    LYS+ 121  14.70 +/- 1.79   0.006% *  0.0113% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 0.857, support = 0.0199, residual support = 0.0199:
          HN    GLY   16 - HA    LYS+  65   6.19 +/- 1.45  83.499% * 34.8898% (0.87   0.02   0.02) =  97.964%  kept
          HN    SER  117 - HA    LYS+ 121   8.63 +/- 0.51  16.033% *  3.1809% (0.08   0.02   0.02) =   1.715%  kept
          HN    SER  117 - HA    LYS+  65  17.21 +/- 0.77   0.303% * 28.1870% (0.71   0.02   0.02) =   0.287%
          HN    GLY   16 - HA    LYS+ 121  19.22 +/- 2.45   0.136% *  3.9373% (0.10   0.02   0.02) =   0.018%
          HN    SER   82 - HA    LYS+  65  26.98 +/- 1.18   0.016% * 26.7825% (0.67   0.02   0.02) =   0.015%
          HN    SER   82 - HA    LYS+ 121  30.45 +/- 2.28   0.012% *  3.0224% (0.08   0.02   0.02) =   0.001%
    Distance limit 3.40 A violated in 20 structures by 2.53 A, eliminated.
    Peak unassigned.
 
    Peak 2799 (6.93, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 4.84, residual support = 28.2:
          HN    LYS+  65 - QB    ALA   64   2.72 +/- 0.18 100.000% *100.0000% (0.31   4.84  28.16) = 100.000%  kept
    Distance limit 3.28 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 = 3.96, residual support = 36.8:
          QE    PHE   72 - HA    ALA   64   2.55 +/- 0.34  99.999% * 99.3266% (0.65   3.96  36.83) = 100.000%  kept
          HD22  ASN   28 - HA    ALA   64  19.12 +/- 1.26   0.001% *  0.6734% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 1.76, residual support = 3.78:
          HA    ASP-  62 - QB    LYS+  65   2.34 +/- 0.51  99.996% * 97.7926% (0.80   1.76   3.78) = 100.000%  kept
          HA    SER  117 - QB    LYS+  65  14.18 +/- 1.34   0.003% *  0.3091% (0.22   0.02   0.02) =   0.000%
          HB    THR   26 - QB    LYS+  65  19.26 +/- 1.58   0.001% *  0.7860% (0.57   0.02   0.02) =   0.000%
          HA    SER   82 - QB    LYS+  65  26.15 +/- 1.13   0.000% *  0.8981% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  25 - QB    LYS+  65  23.41 +/- 1.32   0.000% *  0.2142% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2802 (6.92, 1.80, 33.13 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 6.59, residual support = 164.2:
      O   HN    LYS+  65 - QB    LYS+  65   2.22 +/- 0.13 100.000% *100.0000% (0.76  10.0   6.59 164.17) = 100.000%  kept
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2803 (7.29, 1.80, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.89, residual support = 25.3:
          HN    LYS+  66 - QB    LYS+  65   3.04 +/- 0.17  99.314% * 98.6969% (0.53   5.89  25.34) =  99.997%  kept
          QD    PHE   60 - QB    LYS+  65   7.35 +/- 0.48   0.535% *  0.6146% (0.97   0.02   0.02) =   0.003%
          QE    PHE   59 - QB    LYS+  65   9.25 +/- 0.85   0.150% *  0.0862% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  65  24.06 +/- 1.27   0.000% *  0.6024% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2804 (6.93, 1.50, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 5.41, residual support = 164.2:
          HN    LYS+  65 - HG2   LYS+  65   2.95 +/- 0.55 100.000% *100.0000% (0.31   5.41 164.17) = 100.000%  kept
    Distance limit 3.82 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2805 (3.97, 1.38, 25.13 ppm):
    44 chemical-shift based assignments, quality = 0.86, support = 5.25, residual support = 160.1:
      O T HA    LYS+  65 - HG3   LYS+  65   3.06 +/- 0.60  94.410% * 57.2471% (0.87  10.0 10.00   5.27 164.17) =  97.356%  kept
        T HA    GLN   32 - HG3   LYS+  33   5.97 +/- 0.84   3.747% * 39.1477% (0.59   1.0 10.00   4.16  11.36) =   2.642%  kept
          HA2   GLY   16 - HG3   LYS+  65   7.02 +/- 1.63   1.239% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.001%
        T HD2   PRO   52 - HG3   LYS+ 106  18.71 +/- 3.56   0.101% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 102  14.93 +/- 1.96   0.015% *  0.3689% (0.56   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 106  11.34 +/- 1.77   0.076% *  0.0375% (0.06   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+  33  18.98 +/- 1.80   0.003% *  0.4944% (0.75   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 106   9.19 +/- 1.39   0.300% *  0.0049% (0.07   1.0  1.00   0.02   0.94) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 102  16.26 +/- 3.15   0.008% *  0.0727% (0.11   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 106  19.74 +/- 0.74   0.002% *  0.2403% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  65  14.15 +/- 1.92   0.017% *  0.0296% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+  33  16.97 +/- 1.72   0.010% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  65  17.15 +/- 1.77   0.005% *  0.0893% (0.14   1.0 10.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  19.75 +/- 0.84   0.002% *  0.1903% (0.29   1.0 10.00   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 102  24.41 +/- 1.35   0.001% *  0.4659% (0.71   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 106  14.09 +/- 1.33   0.018% *  0.0124% (0.19   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  25.15 +/- 1.41   0.000% *  0.4533% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  20.29 +/- 1.70   0.002% *  0.0572% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  17.82 +/- 2.69   0.005% *  0.0179% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  20.97 +/- 2.88   0.003% *  0.0271% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 106  18.67 +/- 2.53   0.003% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 102  21.78 +/- 3.85   0.002% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  33  21.52 +/- 1.80   0.001% *  0.0456% (0.69   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  33  23.77 +/- 2.81   0.001% *  0.0771% (0.12   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  21.21 +/- 3.33   0.005% *  0.0114% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  65  20.37 +/- 2.69   0.003% *  0.0165% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 102  20.17 +/- 2.52   0.002% *  0.0241% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 106  20.06 +/- 3.19   0.006% *  0.0069% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  22.98 +/- 3.93   0.001% *  0.0347% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  65  19.27 +/- 1.36   0.003% *  0.0116% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 102  17.95 +/- 1.69   0.003% *  0.0094% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 106  22.45 +/- 1.06   0.001% *  0.0222% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 102  25.56 +/- 1.82   0.001% *  0.0430% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  28.23 +/- 3.66   0.000% *  0.0466% (0.71   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  65  26.84 +/- 1.54   0.000% *  0.0528% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  25.16 +/- 2.02   0.001% *  0.0369% (0.56   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  33  25.02 +/- 2.66   0.001% *  0.0256% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  33  21.29 +/- 1.00   0.001% *  0.0100% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  28.50 +/- 1.97   0.000% *  0.0427% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  28.92 +/- 1.83   0.000% *  0.0494% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  33  24.19 +/- 1.96   0.001% *  0.0142% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  26.11 +/- 2.38   0.000% *  0.0234% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 102  26.73 +/- 3.69   0.001% *  0.0134% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  28.98 +/- 3.70   0.000% *  0.0221% (0.33   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2806 (7.81, 1.38, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.336, support = 2.64, residual support = 21.6:
          HN    ASP- 105 - HG3   LYS+ 106   4.20 +/- 0.25  98.608% * 91.0340% (0.34   2.64  21.58) =  99.981%  kept
          HN    ASP- 105 - HG3   LYS+ 102   9.68 +/- 1.26   1.212% *  1.3354% (0.65   0.02   0.02) =   0.018%
          HN    ASP- 105 - HG3   LYS+  65  18.40 +/- 0.88   0.015% *  1.6410% (0.80   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   LYS+  33  18.24 +/- 0.94   0.015% *  1.4171% (0.69   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+ 106  16.60 +/- 2.90   0.043% *  0.4869% (0.24   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  65  16.28 +/- 1.91   0.039% *  0.3162% (0.15   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+ 102  21.19 +/- 4.10   0.011% *  0.9442% (0.46   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 106  18.08 +/- 2.48   0.048% *  0.1327% (0.06   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  33  23.18 +/- 2.05   0.004% *  1.0019% (0.49   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  65  27.56 +/- 1.85   0.001% *  1.1602% (0.57   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 102  27.83 +/- 2.79   0.002% *  0.2573% (0.13   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  33  28.47 +/- 1.82   0.001% *  0.2731% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2807 (7.29, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.0, residual support = 113.1:
      O   HN    LYS+  66 - HA    LYS+  66   2.89 +/- 0.04  99.891% * 99.6126% (0.53  10.0   5.00 113.08) = 100.000%  kept
          QD    PHE   60 - HA    LYS+  66  10.36 +/- 0.65   0.050% *  0.1827% (0.97   1.0   0.02   0.02) =   0.000%
          QE    PHE   59 - HA    LYS+  66  10.58 +/- 1.59   0.059% *  0.0256% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LYS+  66  29.08 +/- 0.74   0.000% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 4.97, residual support = 113.1:
      O   HN    LYS+  66 - QB    LYS+  66   2.27 +/- 0.15  99.798% * 99.6126% (0.53  10.0   4.97 113.08) = 100.000%  kept
          QD    PHE   60 - QB    LYS+  66   8.15 +/- 0.53   0.055% *  0.1827% (0.97   1.0   0.02   0.02) =   0.000%
          QE    PHE   59 - QB    LYS+  66   7.50 +/- 1.68   0.147% *  0.0256% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  66  25.00 +/- 0.84   0.000% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 4.53, residual support = 113.1:
          HN    LYS+  66 - QG    LYS+  66   3.02 +/- 0.59  90.672% * 98.1503% (0.53   4.53 113.08) =  99.994%  kept
          HN    LYS+  66 - HG    LEU   67   5.95 +/- 1.08   7.539% *  0.0334% (0.04   0.02  10.10) =   0.003%
          QD    PHE   60 - QG    LYS+  66   8.74 +/- 0.82   0.192% *  0.7954% (0.97   0.02   0.02) =   0.002%
          QE    PHE   59 - QG    LYS+  66   7.68 +/- 1.55   1.213% *  0.1115% (0.14   0.02   0.02) =   0.002%
          QD    PHE   60 - HG    LEU   67   9.75 +/- 1.38   0.176% *  0.0612% (0.07   0.02   0.02) =   0.000%
          QE    PHE   59 - HG    LEU   67  10.47 +/- 2.65   0.207% *  0.0086% (0.01   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG    LYS+  66  25.75 +/- 0.96   0.000% *  0.7796% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG    LEU   67  26.14 +/- 1.23   0.000% *  0.0600% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 4.67, residual support = 113.1:
          HN    LYS+  66 - QD    LYS+  66   3.85 +/- 0.62  93.390% * 98.1098% (0.53   4.67 113.08) =  99.994%  kept
          QD    PHE   60 - QD    LYS+  66   9.82 +/- 0.91   0.375% *  0.7709% (0.97   0.02   0.02) =   0.003%
          QE    PHE   59 - QD    LYS+  66   8.80 +/- 1.65   1.403% *  0.1081% (0.14   0.02   0.02) =   0.002%
          QE    PHE   59 - HD2   LYS+ 121   6.95 +/- 1.00   4.356% *  0.0134% (0.02   0.02   0.02) =   0.001%
          HN    LYS+  66 - HD2   LYS+ 121  13.22 +/- 2.91   0.381% *  0.0523% (0.07   0.02   0.02) =   0.000%
          QD    PHE   60 - HD2   LYS+ 121  13.44 +/- 1.27   0.092% *  0.0959% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD    LYS+  66  26.91 +/- 1.09   0.001% *  0.7557% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HD2   LYS+ 121  29.33 +/- 1.71   0.001% *  0.0940% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2811 (1.45, 1.98, 42.52 ppm):
    13 chemical-shift based assignments, quality = 0.475, support = 3.15, residual support = 56.9:
      O T HB3   LEU   67 - HB2   LEU   67   1.75 +/- 0.00  92.046% * 46.3097% (0.47  10.0 10.00   2.98  56.91) =  91.292%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.69 +/- 0.22   7.821% * 51.9824% (0.53  10.0  1.00   4.95  56.91) =   8.707%  kept
        T HG    LEU   40 - HB2   LEU   67   8.90 +/- 2.42   0.016% *  0.5979% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - HB2   LEU   67   5.97 +/- 0.74   0.102% *  0.0598% (0.61   1.0  1.00   0.02  10.10) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  14.59 +/- 2.03   0.000% *  0.5979% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   LEU   67   8.69 +/- 0.59   0.007% *  0.0348% (0.35   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  13.83 +/- 1.89   0.001% *  0.1990% (0.20   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   LEU   67  11.28 +/- 1.08   0.002% *  0.0691% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   LEU   67  10.61 +/- 1.73   0.003% *  0.0159% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  11.92 +/- 2.37   0.001% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   LEU   67  19.13 +/- 2.95   0.000% *  0.0714% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   LEU   67  17.43 +/- 1.83   0.000% *  0.0199% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HB2   LEU   67  21.34 +/- 1.95   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2812 (0.99, 1.98, 42.52 ppm):
    7 chemical-shift based assignments, quality = 0.701, support = 3.31, residual support = 56.9:
      O T QD1   LEU   67 - HB2   LEU   67   2.17 +/- 0.17  99.534% * 98.6993% (0.70  10.0 10.00   3.31  56.91) =  99.999%  kept
        T QD2   LEU   40 - HB2   LEU   67   8.12 +/- 2.13   0.112% *  1.0025% (0.71   1.0 10.00   0.02   0.02) =   0.001%
          QD2   LEU   71 - HB2   LEU   67   7.68 +/- 1.18   0.347% *  0.0316% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   67  13.82 +/- 2.15   0.003% *  0.0917% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   67  13.88 +/- 1.30   0.002% *  0.0819% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LEU   67  16.31 +/- 1.31   0.001% *  0.0703% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LEU   67  15.30 +/- 2.08   0.001% *  0.0228% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2813 (5.01, 0.92, 24.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.76, residual support = 56.9:
          HA    LEU   67 - QD2   LEU   67   2.37 +/- 0.53  99.999% * 98.8214% (0.53   2.76  56.91) = 100.000%  kept
          HA    ASP-  76 - QD2   LEU   67  17.42 +/- 0.97   0.001% *  1.1786% (0.87   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2814 (1.47, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 3.02, residual support = 56.9:
      O   HG    LEU   67 - QD1   LEU   67   2.10 +/- 0.02  98.490% * 96.8242% (0.73  10.0  1.00   3.02  56.91) =  99.992%  kept
        T HG    LEU   40 - QD1   LEU   67   7.01 +/- 2.63   0.757% *  0.8087% (0.61   1.0 10.00   0.02   0.02) =   0.006%
          HB3   LEU   40 - QD1   LEU   67   7.14 +/- 2.48   0.670% *  0.1231% (0.92   1.0  1.00   0.02   0.02) =   0.001%
        T HG    LEU  115 - QD1   LEU   67  11.50 +/- 2.59   0.009% *  1.3334% (1.00   1.0 10.00   0.02   0.02) =   0.000%
        T HG    LEU   73 - QD1   LEU   67   9.32 +/- 1.53   0.022% *  0.2335% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QD1   LEU   67   9.72 +/- 2.94   0.030% *  0.1333% (1.00   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD1   LEU   67  10.92 +/- 1.52   0.008% *  0.4115% (0.31   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD1   LEU   67  12.02 +/- 2.59   0.006% *  0.0809% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   67  11.65 +/- 1.64   0.006% *  0.0180% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   67  15.18 +/- 3.29   0.002% *  0.0332% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2815 (1.99, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.309, support = 3.31, residual support = 56.9:
      O T HB2   LEU   67 - QD1   LEU   67   2.17 +/- 0.17  95.526% * 98.3333% (0.31  10.0 10.00   3.31  56.91) =  99.995%  kept
          QB    GLU-  15 - QD1   LEU   67   6.75 +/- 2.56   4.165% *  0.0886% (0.28   1.0  1.00   0.02   0.02) =   0.004%
          HB    ILE   19 - QD1   LEU   67   8.54 +/- 2.13   0.123% *  0.2764% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   LEU   67   7.13 +/- 0.39   0.092% *  0.2941% (0.92   1.0  1.00   0.02  17.89) =   0.000%
          HB2   GLN   17 - QD1   LEU   67   8.95 +/- 2.41   0.080% *  0.0886% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   LEU   67  13.40 +/- 3.08   0.006% *  0.2551% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   LEU   67  12.86 +/- 2.36   0.005% *  0.2188% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   LEU   67  13.49 +/- 1.19   0.002% *  0.2313% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   LEU   67  16.43 +/- 2.46   0.001% *  0.0709% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   LEU   67  18.91 +/- 1.57   0.000% *  0.1428% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2816 (0.93, 1.46, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.22, residual support = 56.9:
      O   QD2   LEU   67 - HG    LEU   67   2.11 +/- 0.02  88.168% * 99.2738% (0.87  10.0  1.00   2.22  56.91) =  99.993%  kept
        T QD1   LEU   40 - HG    LEU   67   6.07 +/- 1.94   0.735% *  0.6942% (0.61   1.0 10.00   0.02   0.02) =   0.006%
          QD2   LEU   67 - QG    LYS+  66   5.17 +/- 1.65   6.878% *  0.0076% (0.07   1.0  1.00   0.02  10.10) =   0.001%
          QG2   ILE  119 - QG    LYS+  66   4.69 +/- 1.74   4.149% *  0.0014% (0.01   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG    LEU   67   9.23 +/- 2.67   0.039% *  0.0177% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG    LYS+  66   8.32 +/- 1.06   0.032% *  0.0053% (0.05   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2817 (0.63, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 0.02, residual support = 0.02:
          QD1   LEU  104 - QD1   LEU   67   8.32 +/- 2.96  84.910% * 12.0360% (0.22   0.02   0.02) =  61.728%  kept
          QG1   VAL   83 - QD1   LEU   67  14.05 +/- 1.21   9.212% * 34.9728% (0.65   0.02   0.02) =  19.459%  kept
          QG2   ILE   89 - QD1   LEU   67  14.63 +/- 1.50   5.878% * 52.9912% (0.98   0.02   0.02) =  18.813%  kept
    Distance limit 3.10 A violated in 18 structures by 4.89 A, eliminated.
    Peak unassigned.
 
    Peak 2818 (6.71, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.891, support = 3.65, residual support = 35.3:
        T HZ    PHE   72 - QD1   LEU   67   3.33 +/- 0.66  67.276% * 75.7718% (0.97 10.00   3.99  35.30) =  86.561%  kept
        T QD    PHE   72 - QD1   LEU   67   4.12 +/- 1.14  32.691% * 24.2087% (0.41 10.00   1.50  35.30) =  13.439%  kept
          QE    PHE   45 - QD1   LEU   67  12.30 +/- 1.51   0.033% *  0.0196% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2819 (7.00, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.13, residual support = 35.3:
          QE    PHE   72 - QD1   LEU   67   2.84 +/- 0.49  98.895% * 99.2767% (0.80   4.13  35.30) =  99.998%  kept
          QD    PHE   95 - QD1   LEU   67   8.09 +/- 2.11   1.101% *  0.1852% (0.31   0.02   0.02) =   0.002%
          HN    ALA   47 - QD1   LEU   67  16.25 +/- 1.58   0.005% *  0.5381% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 0.593, support = 0.0198, residual support = 0.0198:
          HA    ALA  124 - HG    LEU   67  11.81 +/- 5.12  21.352% *  6.6623% (0.84  1.00   0.02   0.02) =  51.145%  kept
        T HA    LEU  115 - HG    LEU   67  14.89 +/- 3.05   4.071% * 15.7849% (0.20 10.00   0.02   0.02) =  23.103%  kept
        T HA    ARG+  54 - HG    LEU   67  19.95 +/- 2.15   0.488% * 57.9196% (0.73 10.00   0.02   0.02) =  10.161%  kept
          HA    ALA  124 - QG    LYS+  66   9.19 +/- 3.11  50.087% *  0.5129% (0.06  1.00   0.02   0.02) =   9.235%  kept
          HA    GLU-  36 - HG    LEU   67  18.83 +/- 1.41   1.496% *  7.5452% (0.95  1.00   0.02   0.02) =   4.057%  kept
          HA    LEU  115 - QG    LYS+  66  10.96 +/- 1.38  17.768% *  0.1215% (0.02  1.00   0.02   0.02) =   0.776%  kept
          HA    ASN   28 - HG    LEU   67  19.21 +/- 1.17   1.047% *  1.7758% (0.22  1.00   0.02   0.02) =   0.668%  kept
          HA    ARG+  54 - QG    LYS+  66  15.56 +/- 1.26   2.620% *  0.4459% (0.06  1.00   0.02   0.02) =   0.420%
          HA    LYS+  81 - HG    LEU   67  26.55 +/- 1.43   0.106% *  7.9057% (0.99  1.00   0.02   0.02) =   0.302%
          HA    GLU-  36 - QG    LYS+  66  22.05 +/- 1.02   0.404% *  0.5808% (0.07  1.00   0.02   0.02) =   0.084%
          HA    LYS+  81 - QG    LYS+  66  25.79 +/- 1.25   0.120% *  0.6086% (0.08  1.00   0.02   0.02) =   0.026%
          HA    ASN   28 - QG    LYS+  66  21.59 +/- 0.75   0.441% *  0.1367% (0.02  1.00   0.02   0.02) =   0.022%
    Distance limit 3.90 A violated in 19 structures by 3.86 A, eliminated.
    Peak unassigned.
 
    Peak 2821 (5.02, 1.46, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.154, support = 3.61, residual support = 56.9:
      O   HA    LEU   67 - HG    LEU   67   3.06 +/- 0.54  92.068% * 99.3233% (0.15  10.0   3.61  56.91) =  99.999%  kept
          HA    LEU   67 - QG    LYS+  66   5.57 +/- 0.82   7.928% *  0.0076% (0.01   1.0   0.02  10.10) =   0.001%
          HA    ASP-  76 - HG    LEU   67  20.08 +/- 1.15   0.002% *  0.6212% (0.97   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - QG    LYS+  66  19.28 +/- 1.11   0.002% *  0.0478% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 0.32, support = 0.0199, residual support = 0.0199:
          QE    PHE   95 - HG    LEU   67  10.96 +/- 2.17  15.086% * 11.5851% (0.38   0.02   0.02) =  46.373%  kept
          QD    PHE   60 - HG    LEU   67   9.75 +/- 1.38  22.193% *  5.4059% (0.18   0.02   0.02) =  31.832%  kept
          QD    PHE   55 - HG    LEU   67  18.43 +/- 2.19   0.790% * 24.7171% (0.80   0.02   0.02) =   5.178%  kept
          QE    PHE   95 - QG    LYS+  66   9.67 +/- 1.26  21.027% *  0.8918% (0.03   0.02   0.02) =   4.976%  kept
          HE3   TRP   27 - HG    LEU   67  17.10 +/- 1.57   0.699% * 26.7757% (0.87   0.02   0.02) =   4.965%  kept
          QD    PHE   60 - QG    LYS+  66   8.74 +/- 0.82  36.560% *  0.4162% (0.01   0.02   0.02) =   4.037%  kept
          QD    PHE   55 - QG    LYS+  66  13.50 +/- 1.04   2.654% *  1.9027% (0.06   0.02   0.02) =   1.340%  kept
          HN    THR   23 - HG    LEU   67  19.41 +/- 1.48   0.307% * 10.5293% (0.34   0.02   0.02) =   0.857%  kept
          HE3   TRP   27 - QG    LYS+  66  18.78 +/- 1.29   0.387% *  2.0612% (0.07   0.02   0.02) =   0.212%
          HN    LYS+  81 - HG    LEU   67  26.14 +/- 1.23   0.047% * 13.8391% (0.45   0.02   0.02) =   0.174%
          HN    THR   23 - QG    LYS+  66  20.59 +/- 1.03   0.198% *  0.8106% (0.03   0.02   0.02) =   0.043%
          HN    LYS+  81 - QG    LYS+  66  25.75 +/- 0.96   0.053% *  1.0653% (0.03   0.02   0.02) =   0.015%
    Distance limit 3.69 A violated in 20 structures by 3.47 A, eliminated.
    Peak unassigned.
 
    Peak 2823 (1.99, 1.43, 42.52 ppm):
    10 chemical-shift based assignments, quality = 0.292, support = 2.98, residual support = 56.9:
      O T HB2   LEU   67 - HB3   LEU   67   1.75 +/- 0.00  99.768% * 95.9469% (0.29  10.0 10.00   2.98  56.91) = 100.000%  kept
          QB    GLU-  15 - HB3   LEU   67   7.03 +/- 1.82   0.181% *  0.0864% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU   67   6.48 +/- 0.42   0.044% *  0.2870% (0.87   1.0  1.00   0.02  17.89) =   0.000%
        T HB    ILE   19 - HB3   LEU   67  10.26 +/- 0.90   0.003% *  2.6965% (0.82   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LEU   67  10.47 +/- 1.21   0.003% *  0.0864% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   67  17.32 +/- 2.54   0.000% *  0.2489% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HB3   LEU   67  16.68 +/- 1.76   0.000% *  0.2135% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   67  16.87 +/- 0.88   0.000% *  0.2257% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LEU   67  23.07 +/- 0.79   0.000% *  0.1394% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   LEU   67  21.17 +/- 1.97   0.000% *  0.0692% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2824 (5.03, 1.43, 42.52 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 0.02, residual support = 0.02:
          HA    ASP-  76 - HB3   LEU   67  19.71 +/- 1.32 100.000% *100.0000% (0.54   0.02   0.02) = 100.000%  kept
    Distance limit 3.59 A violated in 20 structures by 16.11 A, eliminated.
    Peak unassigned.
 
    Peak 2825 (7.36, 1.43, 42.52 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.07, residual support = 56.9:
      O   HN    LEU   67 - HB3   LEU   67   3.44 +/- 0.37  99.219% * 99.4441% (0.54  10.0   4.07  56.91) = 100.000%  kept
          QE    PHE   95 - HB3   LEU   67  10.83 +/- 2.30   0.766% *  0.0348% (0.19   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   LEU   67  18.71 +/- 1.46   0.005% *  0.1722% (0.93   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   LEU   67  19.60 +/- 1.58   0.004% *  0.1524% (0.82   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   LEU   67  25.88 +/- 3.19   0.003% *  0.1575% (0.85   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   LEU   67  18.87 +/- 0.96   0.004% *  0.0391% (0.21   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2826 (5.01, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.382, support = 5.04, residual support = 56.9:
      O   HA    LEU   67 - HB2   LEU   67   2.77 +/- 0.21  99.999% * 99.8354% (0.38  10.0   5.04  56.91) = 100.000%  kept
          HA    ASP-  76 - HB2   LEU   67  18.83 +/- 0.98   0.001% *  0.1646% (0.63   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2827 (7.00, 1.98, 42.52 ppm):
    3 chemical-shift based assignments, quality = 0.581, support = 3.09, residual support = 35.3:
          QE    PHE   72 - HB2   LEU   67   2.74 +/- 0.75  99.920% * 99.0342% (0.58   3.09  35.30) = 100.000%  kept
          QD    PHE   95 - HB2   LEU   67   9.97 +/- 2.01   0.078% *  0.2473% (0.22   0.02   0.02) =   0.000%
          HN    ALA   47 - HB2   LEU   67  19.56 +/- 1.73   0.001% *  0.7186% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2828 (7.35, 1.98, 42.52 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 4.73, residual support = 56.9:
      O   HN    LEU   67 - HB2   LEU   67   2.63 +/- 0.34  99.810% * 99.6033% (0.70  10.0   4.73  56.91) = 100.000%  kept
          QE    PHE   95 - HB2   LEU   67   9.89 +/- 2.06   0.177% *  0.0626% (0.44   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   LEU   67  17.39 +/- 1.95   0.005% *  0.0230% (0.16   1.0   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   LEU   67  18.52 +/- 1.46   0.001% *  0.0862% (0.61   1.0   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   LEU   67  24.85 +/- 3.11   0.001% *  0.0976% (0.69   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU   67  16.45 +/- 1.92   0.004% *  0.0181% (0.13   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   LEU   67  18.44 +/- 0.92   0.001% *  0.0668% (0.47   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   LEU   67  20.10 +/- 1.33   0.001% *  0.0424% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2831 (6.72, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.96, residual support = 35.3:
        T HZ    PHE   72 - HB2   LEU   67   2.94 +/- 0.70  99.992% * 99.9822% (0.63 10.00   2.96  35.30) = 100.000%  kept
          HZ2   TRP   27 - HB2   LEU   67  16.08 +/- 1.63   0.008% *  0.0178% (0.11  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2832 (3.78, 2.11, 31.99 ppm):
    6 chemical-shift based assignments, quality = 0.557, support = 4.0, residual support = 65.9:
      O T HA    VAL   24 - HB    VAL   24   2.74 +/- 0.19  88.750% * 82.3820% (0.57  10.0 10.00   3.97  66.65) =  97.542%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.90 +/- 0.09  11.246% * 16.3856% (0.11  10.0  1.00   5.46  35.14) =   2.458%  kept
          HA    LYS+  38 - HB2   PRO   68  15.19 +/- 1.24   0.004% *  0.1145% (0.79   1.0  1.00   0.02   0.02) =   0.000%
        T HA    VAL   24 - HB2   PRO   68  22.58 +/- 1.27   0.000% *  1.0113% (0.70   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  19.80 +/- 0.75   0.001% *  0.0933% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  23.55 +/- 1.30   0.000% *  0.0133% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2833 (1.11, 2.11, 31.99 ppm):
    12 chemical-shift based assignments, quality = 0.628, support = 3.24, residual support = 66.7:
      O T QG1   VAL   24 - HB    VAL   24   2.11 +/- 0.01  99.982% * 98.0584% (0.63  10.0 10.00   3.24  66.65) = 100.000%  kept
          HB3   LEU   31 - HB    VAL   24  11.41 +/- 0.49   0.004% *  0.0730% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  10.16 +/- 0.51   0.009% *  0.0210% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  20.37 +/- 1.36   0.000% *  1.2037% (0.77   1.0 10.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  14.71 +/- 2.51   0.002% *  0.0844% (0.54   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  15.01 +/- 1.70   0.001% *  0.0791% (0.51   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  15.50 +/- 1.55   0.001% *  0.0258% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  18.02 +/- 1.70   0.000% *  0.0644% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  19.16 +/- 1.07   0.000% *  0.0896% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  22.68 +/- 2.97   0.000% *  0.1278% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  24.08 +/- 1.75   0.000% *  0.0687% (0.44   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  27.27 +/- 3.13   0.000% *  0.1041% (0.67   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2834 (8.80, 2.11, 31.99 ppm):
    8 chemical-shift based assignments, quality = 0.339, support = 5.82, residual support = 32.0:
      O   HN    ASN   69 - HB2   PRO   68   3.45 +/- 0.85  50.984% * 67.5424% (0.34  10.0   5.85  31.55) =  80.107%  kept
          HN    GLU-  25 - HB    VAL   24   3.47 +/- 0.37  46.260% * 17.6668% (0.31   1.0   5.89  34.99) =  19.012%  kept
          HN    ASN   28 - HB    VAL   24   5.59 +/- 0.22   2.637% * 14.3585% (0.66   1.0   2.22  13.01) =   0.881%  kept
          HN    ASP-  44 - HB    VAL   24  10.50 +/- 1.52   0.113% *  0.0651% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ASP-  44 - HB2   PRO   68  17.09 +/- 0.93   0.004% *  0.0800% (0.41   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  21.99 +/- 1.16   0.001% *  0.1586% (0.81   1.0   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  23.10 +/- 1.01   0.001% *  0.0550% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  25.02 +/- 1.34   0.000% *  0.0737% (0.37   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2835 (9.23, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.331, support = 4.75, residual support = 66.7:
      O   HN    VAL   24 - HB    VAL   24   2.11 +/- 0.20 100.000% * 99.8774% (0.33  10.0   4.75  66.65) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  24.47 +/- 1.36   0.000% *  0.1226% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2836 (3.34, 1.98, 27.31 ppm):
    6 chemical-shift based assignments, quality = 0.574, support = 3.03, residual support = 35.1:
      O   HD3   PRO   68 - HG2   PRO   68   2.54 +/- 0.30  99.995% * 99.5120% (0.57  10.0   3.03  35.14) = 100.000%  kept
          HB2   PHE   59 - HG2   PRO   68  14.97 +/- 2.33   0.004% *  0.0580% (0.33   1.0   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   PRO   68  19.95 +/- 2.50   0.001% *  0.0910% (0.52   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   PRO   68  22.71 +/- 2.07   0.000% *  0.1168% (0.67   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   68  24.60 +/- 2.26   0.000% *  0.1189% (0.69   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG2   PRO   68  24.27 +/- 1.97   0.000% *  0.1033% (0.60   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2837 (3.75, 1.98, 27.31 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.9, residual support = 35.1:
      O   HD2   PRO   68 - HG2   PRO   68   2.64 +/- 0.28  99.969% * 99.8205% (0.63  10.0   2.90  35.14) = 100.000%  kept
          HA    ALA   61 - HG2   PRO   68  11.82 +/- 1.35   0.026% *  0.0826% (0.52   1.0   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   68  15.60 +/- 1.66   0.003% *  0.0167% (0.11   1.0   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   PRO   68  17.39 +/- 2.11   0.002% *  0.0146% (0.09   1.0   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   PRO   68  22.81 +/- 1.14   0.000% *  0.0656% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2838 (3.34, 1.86, 27.31 ppm):
    12 chemical-shift based assignments, quality = 0.711, support = 4.76, residual support = 64.1:
      O   HD3   PRO   68 - HG3   PRO   68   2.66 +/- 0.30  51.321% * 72.5265% (0.84  10.0  1.00   4.76  35.14) =  78.201%  kept
      O T HD2   ARG+  54 - HG2   ARG+  54   2.73 +/- 0.18  44.359% * 23.1187% (0.27  10.0 10.00   4.79 169.81) =  21.546%  kept
          QB    PHE   55 - HG2   ARG+  54   5.89 +/- 1.25   3.822% *  3.1460% (0.20   1.0  1.00   3.55   3.49) =   0.253%
          HB3   CYS   53 - HG2   ARG+  54   6.09 +/- 0.63   0.435% *  0.0227% (0.26   1.0  1.00   0.02  31.51) =   0.000%
          HD3   PRO   93 - HG2   ARG+  54   9.55 +/- 2.27   0.050% *  0.0201% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  15.02 +/- 2.08   0.003% *  0.0423% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  11.06 +/- 1.02   0.010% *  0.0113% (0.13   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  24.56 +/- 2.14   0.000% *  0.8664% (1.00   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  19.97 +/- 2.29   0.000% *  0.0664% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  22.70 +/- 2.12   0.000% *  0.0851% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  24.24 +/- 2.04   0.000% *  0.0753% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  22.20 +/- 1.96   0.000% *  0.0194% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2839 (3.75, 1.86, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 4.62, residual support = 35.1:
      O   HD2   PRO   68 - HG3   PRO   68   2.53 +/- 0.28  99.828% * 99.5569% (0.92  10.0  1.00   4.62  35.14) = 100.000%  kept
          HA    ALA   61 - HG3   PRO   68  11.85 +/- 1.23   0.013% *  0.0824% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   ARG+  54   8.45 +/- 1.28   0.143% *  0.0039% (0.04   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG3   PRO   68  15.46 +/- 1.38   0.002% *  0.1664% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HG2   ARG+  54  13.10 +/- 1.63   0.011% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG3   PRO   68  17.45 +/- 1.83   0.001% *  0.0146% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   PRO   68  22.67 +/- 1.36   0.000% *  0.0654% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   ARG+  54  21.91 +/- 3.00   0.000% *  0.0175% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   68 - HG2   ARG+  54  22.83 +/- 1.84   0.000% *  0.0266% (0.25   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG2   ARG+  54  30.66 +/- 2.81   0.000% *  0.0444% (0.04   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 5.1, residual support = 35.1:
      O T HD3   PRO   68 - HD2   PRO   68   1.75 +/- 0.00  99.124% * 98.5022% (0.98  10.0 10.00   5.10  35.14) = 100.000%  kept
          HB2   PHE   59 - HD3   PRO   58   4.12 +/- 0.34   0.680% *  0.0070% (0.07   1.0  1.00   0.02  40.67) =   0.000%
          QB    PHE   55 - HD3   PRO   58   5.30 +/- 0.67   0.166% *  0.0076% (0.08   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD3   PRO   58  10.62 +/- 2.25   0.005% *  0.0732% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD3   PRO   58   8.44 +/- 1.32   0.015% *  0.0063% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   68  13.92 +/- 1.59   0.001% *  0.0928% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD3   PRO   58   9.00 +/- 1.29   0.008% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD2   PRO   68  22.87 +/- 1.73   0.000% *  0.9698% (0.97   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD3   PRO   58  15.81 +/- 1.32   0.000% *  0.0743% (0.07   1.0 10.00   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   68  19.21 +/- 1.83   0.000% *  0.1003% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD2   PRO   68  21.47 +/- 1.76   0.000% *  0.0839% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   68  23.76 +/- 2.02   0.000% *  0.0768% (0.76   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2841 (3.75, 3.33, 50.60 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 5.1, residual support = 35.1:
      O T HD2   PRO   68 - HD3   PRO   68   1.75 +/- 0.00  99.990% * 99.4504% (0.92  10.0 10.00   5.10  35.14) = 100.000%  kept
          HA    ALA   61 - HD3   PRO   68  10.10 +/- 1.02   0.004% *  0.0823% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   93  10.62 +/- 2.25   0.005% *  0.0268% (0.02   1.0 10.00   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   68  15.81 +/- 1.32   0.000% *  0.1458% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   61 - HD3   PRO   93  15.20 +/- 1.69   0.000% *  0.0151% (0.14   1.0  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   68 - HD3   PRO   93  22.87 +/- 1.73   0.000% *  0.1826% (0.17   1.0 10.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   68  15.94 +/- 0.97   0.000% *  0.0166% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   68  21.89 +/- 0.98   0.000% *  0.0653% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   93  17.99 +/- 1.54   0.000% *  0.0120% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   93  27.65 +/- 0.79   0.000% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2844 (5.01, 3.33, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.98, residual support = 17.9:
      O   HA    LEU   67 - HD3   PRO   68   2.43 +/- 0.31  99.898% * 99.7870% (0.53  10.0   4.98  17.89) = 100.000%  kept
          HA    ASP-  76 - HD3   PRO   93  10.40 +/- 2.25   0.102% *  0.0302% (0.16   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD3   PRO   68  21.82 +/- 1.03   0.000% *  0.1645% (0.87   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   93  21.66 +/- 1.21   0.000% *  0.0183% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 4.5, residual support = 17.9:
      O   HA    LEU   67 - HD2   PRO   68   2.32 +/- 0.11  99.996% * 99.8155% (0.53  10.0   4.50  17.89) = 100.000%  kept
          HA    ASP-  76 - HD2   PRO   68  21.72 +/- 1.35   0.000% *  0.1646% (0.87   1.0   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD3   PRO   58  15.32 +/- 1.95   0.002% *  0.0124% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   58  15.57 +/- 0.66   0.001% *  0.0075% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2846 (7.70, 2.90, 37.49 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 3.63, residual support = 59.6:
      O   HD21  ASN   69 - HB2   ASN   69   2.89 +/- 0.54  99.935% * 99.5864% (0.65  10.0   3.63  59.57) = 100.000%  kept
          HN    GLN   17 - HB2   ASN   69  10.88 +/- 1.43   0.060% *  0.1286% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   ASN   69  17.05 +/- 0.69   0.004% *  0.0475% (0.31   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   ASN   69  24.41 +/- 2.40   0.000% *  0.0934% (0.61   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB2   ASN   69  26.86 +/- 1.73   0.000% *  0.1057% (0.69   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   ASN   69  28.65 +/- 1.72   0.000% *  0.0384% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2847 (8.82, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.39, residual support = 59.6:
      O   HN    ASN   69 - HB2   ASN   69   3.70 +/- 0.18  99.952% * 99.9414% (0.97  10.0   5.39  59.57) = 100.000%  kept
          HN    GLY  101 - HB2   ASN   69  13.99 +/- 1.27   0.043% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASN   69  19.49 +/- 0.91   0.005% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2848 (7.69, 2.81, 37.49 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.59, residual support = 59.6:
      O   HD21  ASN   69 - HB3   ASN   69   3.11 +/- 0.54  99.849% * 99.7810% (0.99  10.0   3.59  59.57) = 100.000%  kept
          HN    GLN   17 - HB3   ASN   69  10.57 +/- 1.46   0.150% *  0.0987% (0.98   1.0   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   ASN   69  27.59 +/- 1.66   0.000% *  0.1004% (1.00   1.0   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   ASN   69  25.21 +/- 2.36   0.001% *  0.0199% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2849 (8.82, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.88, residual support = 59.6:
      O   HN    ASN   69 - HB3   ASN   69   3.11 +/- 0.37  99.985% * 99.9414% (0.97  10.0   4.88  59.57) = 100.000%  kept
          HN    GLY  101 - HB3   ASN   69  15.15 +/- 1.46   0.013% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ASN   28 - HB3   ASN   69  20.42 +/- 1.04   0.002% *  0.0426% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2850 (7.71, 4.68, 53.57 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.07, residual support = 59.6:
          HD21  ASN   69 - HA    ASN   69   3.75 +/- 0.37  98.572% * 89.7768% (0.20   3.07  59.57) =  99.983%  kept
          HN    GLN   17 - HA    ASN   69   8.54 +/- 1.44   1.393% *  1.0087% (0.34   0.02   0.02) =   0.016%
          HN    ALA   61 - HA    ASN   69  15.42 +/- 0.69   0.023% *  2.3679% (0.80   0.02   0.02) =   0.001%
          HN    TRP   27 - HA    ASN   69  18.10 +/- 1.02   0.009% *  1.1099% (0.38   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ASN   69  24.09 +/- 2.13   0.002% *  2.9310% (0.99   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ASN   69  27.67 +/- 1.65   0.001% *  2.1473% (0.73   0.02   0.02) =   0.000%
          HN    TRP   87 - HA    ASN   69  26.19 +/- 1.44   0.001% *  0.6584% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.11 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  17.92 +/- 2.24 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.53 A violated in 20 structures by 14.39 A, eliminated.
    Peak unassigned.
 
    Peak 2852 (1.31, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.309, support = 0.0198, residual support = 0.0198:
        T QB    ALA   88 - HB2   SER   82  10.07 +/- 0.39   3.379% * 37.0886% (0.42 10.00   0.02   0.02) =  30.275%  kept
        T QB    ALA   88 - HA    SER   48  13.36 +/- 2.91   6.022% * 17.4364% (0.20 10.00   0.02   0.02) =  25.366%  kept
          QG2   THR   77 - HA    SER   48   7.17 +/- 1.84  37.284% *  1.9923% (0.23  1.00   0.02   0.02) =  17.946%  kept
          HG2   LYS+  99 - HA    VAL   70   8.63 +/- 1.27  10.157% *  3.6274% (0.41  1.00   0.02   0.02) =   8.901%  kept
          QG2   THR   77 - HB2   SER   82   9.57 +/- 1.75   7.422% *  4.2379% (0.48  1.00   0.02   0.02) =   7.599%  kept
          QG2   THR   23 - HB2   SER   82   7.03 +/- 1.25  30.706% *  0.9519% (0.11  1.00   0.02   0.02) =   7.062%  kept
          HG2   LYS+  38 - HA    VAL   70  11.21 +/- 1.70   1.685% *  4.6421% (0.53  1.00   0.02   0.02) =   1.889%  kept
          QG2   THR   77 - HA    VAL   70  17.63 +/- 1.10   0.149% *  8.7452% (0.99  1.00   0.02   0.02) =   0.315%
          HB2   LEU   31 - HA    VAL   70  13.35 +/- 0.83   0.590% *  1.3614% (0.15  1.00   0.02   0.02) =   0.194%
          QG2   THR   23 - HA    SER   48  13.29 +/- 2.78   1.485% *  0.4475% (0.05  1.00   0.02   0.02) =   0.161%
          HB2   LEU   31 - HB2   SER   82  14.41 +/- 2.78   0.742% *  0.6597% (0.07  1.00   0.02   0.02) =   0.118%
          QB    ALA   88 - HA    VAL   70  21.97 +/- 1.58   0.036% *  7.6536% (0.87  1.00   0.02   0.02) =   0.066%
          QG2   THR   23 - HA    VAL   70  17.06 +/- 0.56   0.138% *  1.9644% (0.22  1.00   0.02   0.02) =   0.065%
          HG2   LYS+ 111 - HA    SER   48  19.95 +/- 2.77   0.105% *  0.3978% (0.05  1.00   0.02   0.02) =   0.010%
          HG2   LYS+  38 - HB2   SER   82  25.79 +/- 2.84   0.017% *  2.2495% (0.25  1.00   0.02   0.02) =   0.009%
          HG2   LYS+ 111 - HA    VAL   70  24.16 +/- 2.00   0.020% *  1.7461% (0.20  1.00   0.02   0.02) =   0.009%
          HG2   LYS+  99 - HB2   SER   82  25.43 +/- 2.87   0.018% *  1.7578% (0.20  1.00   0.02   0.02) =   0.008%
          HG2   LYS+ 111 - HB2   SER   82  27.31 +/- 2.40   0.011% *  0.8462% (0.10  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  99 - HA    SER   48  28.63 +/- 2.14   0.008% *  0.8264% (0.09  1.00   0.02   0.02) =   0.002%
          HB2   LEU   31 - HA    SER   48  23.41 +/- 1.67   0.021% *  0.3102% (0.04  1.00   0.02   0.02) =   0.002%
          HG2   LYS+  38 - HA    SER   48  31.82 +/- 2.07   0.004% *  1.0576% (0.12  1.00   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 17 structures by 2.03 A, eliminated.
    Peak unassigned.
 
    Peak 2853 (8.14, 4.01, 61.79 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.36, residual support = 33.1:
      O   HN    LEU   71 - HA    VAL   70   2.27 +/- 0.02  99.980% * 99.7573% (0.87  10.0   5.36  33.06) = 100.000%  kept
          HN    THR   26 - HB2   SER   82  10.10 +/- 1.38   0.018% *  0.0139% (0.12   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    VAL   70  17.48 +/- 0.64   0.001% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    VAL   70  21.56 +/- 0.98   0.000% *  0.0560% (0.49   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   SER   82  21.70 +/- 1.67   0.000% *  0.0483% (0.42   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    VAL   70  19.00 +/- 0.96   0.000% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
          HN    THR   26 - HA    SER   48  18.49 +/- 2.72   0.001% *  0.0065% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    SER   48  20.91 +/- 2.57   0.000% *  0.0128% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    SER   48  22.76 +/- 1.67   0.000% *  0.0227% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    SER   48  20.98 +/- 2.10   0.000% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   SER   82  28.35 +/- 1.67   0.000% *  0.0271% (0.24   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   SER   82  28.74 +/- 1.42   0.000% *  0.0075% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 0.976, support = 3.3, residual support = 40.1:
        T HZ    PHE   72 - HB    VAL   70   3.75 +/- 1.22  57.558% * 95.0244% (1.00 10.00   3.30  40.12) =  96.866%  kept
          QD    PHE   72 - HB    VAL   70   4.22 +/- 0.69  37.020% *  4.7738% (0.31  1.00   3.25  40.12) =   3.130%  kept
        T HZ    PHE   72 - QG    GLN   17   8.71 +/- 1.33   1.346% *  0.1765% (0.19 10.00   0.02   0.02) =   0.004%
          QD    PHE   72 - QG    GLN   17   6.25 +/- 1.04   4.027% *  0.0055% (0.06  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - HB    VAL   70  14.12 +/- 0.94   0.028% *  0.0167% (0.18  1.00   0.02   0.02) =   0.000%
          QE    PHE   45 - QG    GLN   17  14.85 +/- 1.10   0.022% *  0.0031% (0.03  1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 1 structures by 0.17 A, kept.
 
    Peak 2855 (7.00, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.86, residual support = 40.1:
          QE    PHE   72 - HB    VAL   70   2.82 +/- 0.74  95.900% * 98.8017% (0.73   3.86  40.12) =  99.996%  kept
          QE    PHE   72 - QG    GLN   17   7.05 +/- 1.33   3.939% *  0.0950% (0.13   0.02   0.02) =   0.004%
          QD    PHE   95 - HB    VAL   70  10.00 +/- 1.50   0.124% *  0.2643% (0.38   0.02   0.02) =   0.000%
          QD    PHE   95 - QG    GLN   17  12.32 +/- 0.90   0.031% *  0.0491% (0.07   0.02   0.02) =   0.000%
          HN    ALA   47 - HB    VAL   70  20.04 +/- 1.04   0.002% *  0.6662% (0.95   0.02   0.02) =   0.000%
          HN    ALA   47 - QG    GLN   17  16.97 +/- 1.80   0.005% *  0.1237% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 1 structures by 0.12 A, kept.
 
    Peak 2856 (7.99, 2.20, 34.17 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 81.3:
      O   HN    VAL   70 - HB    VAL   70   2.62 +/- 0.40  99.885% * 99.9336% (0.76  10.0   4.31  81.32) = 100.000%  kept
          HN    VAL   70 - QG    GLN   17   9.08 +/- 1.41   0.113% *  0.0186% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG    GLN   17  17.29 +/- 1.50   0.002% *  0.0075% (0.06   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HB    VAL   70  22.30 +/- 0.66   0.000% *  0.0404% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2857 (8.01, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 4.83, residual support = 81.3:
          HN    VAL   70 - QG1   VAL   70   2.73 +/- 0.47  99.988% * 98.2786% (0.28   4.83  81.32) = 100.000%  kept
          HN    THR   94 - QG1   VAL   70  13.82 +/- 1.50   0.011% *  0.5494% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG1   VAL   70  19.22 +/- 1.25   0.001% *  1.1721% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2859 (8.93, 0.19, 63.87 ppm):
    3 chemical-shift based assignments, quality = 0.518, support = 1.4, residual support = 1.25:
          HN    VAL   42 - QG2   VAL   70   4.12 +/- 0.33  87.045% * 60.2609% (0.52   1.43   1.34) =  93.286%  kept
          HN    LEU   73 - QG2   VAL   70   6.10 +/- 0.56   9.704% * 38.4850% (0.52   0.92   0.02) =   6.642%  kept
          HN    ILE   19 - QG2   VAL   70   7.53 +/- 0.82   3.251% *  1.2541% (0.77   0.02   0.02) =   0.073%
    Distance limit 3.76 A violated in 0 structures by 0.33 A, kept.
 
    Peak 2860 (1.46, 0.19, 63.87 ppm):
    11 chemical-shift based assignments, quality = 0.664, support = 5.32, residual support = 35.4:
        T HG    LEU   40 - QG2   VAL   70   3.12 +/- 0.65  36.692% * 67.9910% (0.80 10.00   5.88  35.66) =  71.774%  kept
        T HB3   LEU   40 - QG2   VAL   70   3.12 +/- 0.62  34.216% * 28.0141% (0.33 10.00   3.99  35.66) =  27.577%  kept
          HG    LEU   67 - QG2   VAL   70   4.94 +/- 1.63   7.215% *  1.8765% (0.79  1.00   0.56   0.40) =   0.390%
          HB3   LEU   67 - QG2   VAL   70   4.59 +/- 2.14  21.027% *  0.4182% (0.22  1.00   0.44   0.40) =   0.253%
        T HG    LEU   73 - QG2   VAL   70   6.76 +/- 0.95   0.483% *  0.4408% (0.52 10.00   0.02   0.02) =   0.006%
        T HB3   LEU  115 - QG2   VAL   70  12.34 +/- 1.46   0.012% *  0.6799% (0.80 10.00   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   VAL   70   7.73 +/- 0.93   0.193% *  0.0306% (0.36  1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QG2   VAL   70  12.19 +/- 1.18   0.012% *  0.4408% (0.52 10.00   0.02   0.02) =   0.000%
          QB    ALA  120 - QG2   VAL   70  10.40 +/- 1.59   0.038% *  0.0441% (0.52  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   VAL   70   9.31 +/- 1.04   0.100% *  0.0119% (0.14  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   VAL   70  11.87 +/- 1.15   0.013% *  0.0521% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2861 (6.70, 0.19, 63.87 ppm):
    3 chemical-shift based assignments, quality = 0.599, support = 2.74, residual support = 40.1:
        T QD    PHE   72 - QG2   VAL   70   3.37 +/- 0.79  62.323% * 53.1587% (0.64 10.00   1.84  40.12) =  65.358%  kept
        T HZ    PHE   72 - QG2   VAL   70   3.88 +/- 0.91  37.524% * 46.7974% (0.52 10.00   4.44  40.12) =  34.642%  kept
          QE    PHE   45 - QG2   VAL   70  10.41 +/- 0.71   0.153% *  0.0439% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2862 (6.99, 0.19, 63.87 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.05, residual support = 40.1:
          QE    PHE   72 - QG2   VAL   70   2.89 +/- 0.77  99.969% * 99.6576% (0.80   5.05  40.12) = 100.000%  kept
          HD22  ASN   28 - QG2   VAL   70  13.49 +/- 0.63   0.022% *  0.1347% (0.27   0.02   0.02) =   0.000%
          HN    ALA   47 - QG2   VAL   70  15.87 +/- 0.73   0.009% *  0.2077% (0.42   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2863 (8.16, 0.19, 63.87 ppm):
    5 chemical-shift based assignments, quality = 0.757, support = 6.46, residual support = 33.1:
          HN    LEU   71 - QG2   VAL   70   2.42 +/- 0.34  99.959% * 99.3865% (0.76   6.46  33.06) = 100.000%  kept
          HN    PHE   60 - QG2   VAL   70  10.10 +/- 1.39   0.025% *  0.0440% (0.11   0.02   0.02) =   0.000%
          HN    THR  118 - QG2   VAL   70  11.80 +/- 1.52   0.011% *  0.0905% (0.22   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   VAL   70  13.74 +/- 1.12   0.004% *  0.1712% (0.42   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   VAL   70  15.77 +/- 1.24   0.002% *  0.3078% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2864 (6.70, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.66, support = 2.68, residual support = 40.1:
        T HZ    PHE   72 - QG1   VAL   70   3.67 +/- 0.90  63.796% * 85.5788% (0.65 10.00   2.68  40.12) =  91.332%  kept
          QD    PHE   72 - QG1   VAL   70   4.25 +/- 1.29  36.129% * 14.3410% (0.80  1.00   2.71  40.12) =   8.668%  kept
          QE    PHE   45 - QG1   VAL   70  11.95 +/- 1.32   0.076% *  0.0802% (0.61  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.16 A, kept.
 
    Peak 2865 (4.88, 1.80, 44.15 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 2.09, residual support = 4.38:
          HA    VAL   41 - HB2   LEU   71   3.05 +/- 1.01  99.182% * 98.4715% (0.92   2.09   4.38) =  99.992%  kept
          HA    HIS  122 - HB2   LEU   71  13.72 +/- 3.68   0.767% *  0.9869% (0.97   0.02   0.02) =   0.008%
          HA    PHE   45 - HB2   LEU   71  13.62 +/- 0.46   0.047% *  0.3838% (0.38   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   LEU   71  20.99 +/- 0.74   0.003% *  0.1578% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 2 structures by 0.24 A, kept.
 
    Peak 2866 (8.16, 1.80, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.38, residual support = 138.9:
      O   HN    LEU   71 - HB2   LEU   71   2.74 +/- 0.36  99.984% * 99.8011% (0.95  10.0   6.38 138.88) = 100.000%  kept
          HN    PHE   60 - HB2   LEU   71  14.60 +/- 1.40   0.010% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HB2   LEU   71  17.89 +/- 2.05   0.004% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   LEU   71  20.09 +/- 1.54   0.002% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   LEU   71  22.06 +/- 1.29   0.001% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2867 (8.16, 1.20, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.3, residual support = 138.9:
      O   HN    LEU   71 - HB3   LEU   71   2.96 +/- 0.71  99.962% * 99.8011% (0.95  10.0   6.30 138.88) = 100.000%  kept
          HN    PHE   60 - HB3   LEU   71  14.99 +/- 1.67   0.027% *  0.0143% (0.14   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   71  18.60 +/- 2.14   0.006% *  0.0293% (0.28   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   71  20.70 +/- 1.79   0.003% *  0.0555% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   71  22.79 +/- 1.52   0.001% *  0.0998% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2870 (1.81, 1.24, 27.63 ppm):
    20 chemical-shift based assignments, quality = 0.965, support = 4.93, residual support = 138.9:
      O   HB2   LEU   71 - HG    LEU   71   2.43 +/- 0.10  98.770% * 99.3720% (0.97  10.0   4.93 138.88) = 100.000%  kept
          HB    VAL   41 - HG    LEU   71   7.18 +/- 1.22   0.264% *  0.0501% (0.49   1.0   0.02   4.38) =   0.000%
          HB3   GLN   17 - HG13  ILE   19   6.88 +/- 1.37   0.644% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG13  ILE   19   7.87 +/- 1.36   0.208% *  0.0142% (0.14   1.0   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG    LEU   71  12.49 +/- 2.21   0.048% *  0.0501% (0.49   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG    LEU   71  12.39 +/- 1.72   0.022% *  0.0707% (0.69   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG    LEU   71  13.63 +/- 1.59   0.004% *  0.1030% (1.00   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   71  13.70 +/- 1.24   0.004% *  0.1009% (0.98   1.0   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE   19  11.89 +/- 1.79   0.012% *  0.0145% (0.14   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   71  13.64 +/- 1.24   0.004% *  0.0351% (0.34   1.0   0.02   0.02) =   0.000%
          HB    VAL   41 - HG13  ILE   19  12.58 +/- 2.03   0.012% *  0.0072% (0.07   1.0   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE   19  12.92 +/- 1.26   0.005% *  0.0101% (0.10   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   71  20.92 +/- 1.02   0.000% *  0.0951% (0.92   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   71  19.58 +/- 3.44   0.001% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE   19  19.37 +/- 1.41   0.000% *  0.0148% (0.14   1.0   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE   19  20.11 +/- 1.66   0.000% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG13  ILE   19  18.89 +/- 1.80   0.001% *  0.0050% (0.05   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   71  24.60 +/- 2.01   0.000% *  0.0159% (0.15   1.0   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE   19  21.83 +/- 2.30   0.000% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE   19  23.72 +/- 1.75   0.000% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2873 (8.14, 0.96, 23.45 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.8, residual support = 138.9:
          HN    LEU   71 - QD2   LEU   71   3.47 +/- 0.51  99.835% * 99.7052% (0.87   6.80 138.88) = 100.000%  kept
          HN    THR   26 - QD2   LEU   71  11.22 +/- 1.46   0.157% *  0.0843% (0.25   0.02   0.02) =   0.000%
          HN    GLU- 114 - QD2   LEU   71  20.57 +/- 1.31   0.003% *  0.1647% (0.49   0.02   0.02) =   0.000%
          HN    GLN  116 - QD2   LEU   71  18.62 +/- 1.53   0.005% *  0.0458% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2874 (9.37, 0.96, 23.45 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.43, residual support = 20.1:
          HN    PHE   72 - QD2   LEU   71   3.41 +/- 0.26  99.944% * 99.5785% (0.73   5.43  20.12) = 100.000%  kept
          HN    LEU  104 - QD2   LEU   71  12.44 +/- 0.87   0.056% *  0.4215% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2875 (8.96, 5.27, 56.60 ppm):
    4 chemical-shift based assignments, quality = 0.612, support = 5.13, residual support = 40.3:
      O   HN    LEU   73 - HA    PHE   72   2.21 +/- 0.03  91.087% * 91.5246% (0.61  10.0   5.16  40.59) =  99.222%  kept
          HN    VAL   42 - HA    PHE   72   3.84 +/- 0.68   7.813% *  8.3639% (0.61   1.0   1.83   5.78) =   0.778%  kept
          HN    ILE   19 - HA    PHE   72   4.73 +/- 0.38   1.099% *  0.0200% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    PHE   72  13.89 +/- 0.52   0.002% *  0.0915% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2876 (9.35, 5.27, 56.60 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 5.13, residual support = 90.9:
      O   HN    PHE   72 - HA    PHE   72   2.93 +/- 0.02  99.979% * 99.9786% (0.71  10.0   5.13  90.94) = 100.000%  kept
          HN    LEU  104 - HA    PHE   72  12.11 +/- 0.48   0.021% *  0.0214% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2877 (1.43, 5.27, 56.60 ppm):
    12 chemical-shift based assignments, quality = 0.373, support = 2.62, residual support = 40.4:
          HG    LEU   73 - HA    PHE   72   4.14 +/- 0.86  81.183% * 70.3702% (0.37   2.64  40.59) =  98.950%  kept
          HB3   LEU   67 - HA    PHE   72   8.00 +/- 1.45   1.981% * 22.3553% (0.66   0.47  35.30) =   0.767%  kept
          HG12  ILE   19 - HA    PHE   72   7.25 +/- 1.46  13.969% *  1.0565% (0.74   0.02   0.02) =   0.256%
          HB3   LYS+  74 - HA    PHE   72   7.96 +/- 0.58   1.414% *  0.4500% (0.31   0.02   0.02) =   0.011%
          QB    ALA   61 - HA    PHE   72   9.49 +/- 0.97   0.514% *  1.0565% (0.74   0.02   0.02) =   0.009%
          QG    LYS+  66 - HA    PHE   72  11.09 +/- 0.71   0.194% *  0.7520% (0.52   0.02   0.18) =   0.003%
          QB    LEU   98 - HA    PHE   72   9.20 +/- 0.73   0.583% *  0.2166% (0.15   0.02   0.02) =   0.002%
          HG    LEU   80 - HA    PHE   72  14.33 +/- 2.34   0.045% *  1.0923% (0.76   0.02   0.02) =   0.001%
          QB    ALA  110 - HA    PHE   72  15.82 +/- 1.79   0.024% *  1.0850% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   72  14.50 +/- 1.70   0.040% *  0.6640% (0.46   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   72  16.30 +/- 2.69   0.039% *  0.4908% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    PHE   72  16.99 +/- 1.28   0.014% *  0.4109% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 3 structures by 0.66 A, kept.
 
    Peak 2878 (0.78, 2.83, 40.30 ppm):
    6 chemical-shift based assignments, quality = 0.819, support = 5.59, residual support = 40.6:
          QD2   LEU   73 - HB2   PHE   72   4.18 +/- 0.24  96.343% * 98.9709% (0.82   5.59  40.59) =  99.995%  kept
          QG1   VAL   43 - HB2   PHE   72   8.15 +/- 0.61   2.175% *  0.0715% (0.17   0.02   0.02) =   0.002%
          QG1   VAL   41 - HB2   PHE   72   9.28 +/- 0.77   1.021% *  0.1232% (0.28   0.02   0.02) =   0.001%
          QD1   ILE   56 - HB2   PHE   72  12.35 +/- 1.61   0.257% *  0.3486% (0.81   0.02   0.02) =   0.001%
          HG    LEU   31 - HB2   PHE   72  12.24 +/- 0.90   0.179% *  0.3239% (0.75   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - HB2   PHE   72  17.59 +/- 2.14   0.025% *  0.1619% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 2 structures by 0.56 A, kept.
 
    Peak 2879 (0.40, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.48, residual support = 36.8:
        T QB    ALA   64 - HB2   PHE   72   3.82 +/- 1.00  99.662% * 99.9825% (0.84 10.00   2.48  36.83) = 100.000%  kept
          QB    ALA   47 - HB2   PHE   72  14.80 +/- 1.13   0.338% *  0.0175% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 2 structures by 0.44 A, kept.
 
    Peak 2880 (0.77, 2.28, 40.30 ppm):
    7 chemical-shift based assignments, quality = 0.666, support = 5.39, residual support = 35.6:
          QD2   LEU   73 - HB3   PHE   72   4.61 +/- 0.38  23.716% * 93.7244% (0.72   6.18  40.59) =  85.446%  kept
          QG2   VAL   18 - HB3   PHE   72   3.65 +/- 0.67  73.935% *  5.1138% (0.33   0.75   6.35) =  14.534%  kept
          QG1   VAL   43 - HB3   PHE   72   7.70 +/- 0.61   1.158% *  0.2204% (0.53   0.02   0.02) =   0.010%
          QG1   VAL   41 - HB3   PHE   72   9.39 +/- 0.82   0.484% *  0.2909% (0.69   0.02   0.02) =   0.005%
          QG2   THR   46 - HB3   PHE   72   9.64 +/- 1.35   0.474% *  0.1010% (0.24   0.02   0.02) =   0.002%
          QD1   ILE   56 - HB3   PHE   72  11.35 +/- 1.56   0.170% *  0.2057% (0.49   0.02   0.02) =   0.001%
          HG    LEU   31 - HB3   PHE   72  12.37 +/- 0.89   0.062% *  0.3437% (0.82   0.02   0.02) =   0.001%
    Distance limit 3.49 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2881 (0.41, 2.28, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.48, residual support = 36.8:
        T QB    ALA   64 - HB3   PHE   72   3.46 +/- 0.98  99.589% * 99.9693% (0.63 10.00   2.48  36.83) = 100.000%  kept
          QD1   LEU  115 - HB3   PHE   72  11.67 +/- 1.39   0.411% *  0.0307% (0.19  1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 1 structures by 0.22 A, kept.
 
    Peak 2882 (4.02, 2.83, 40.30 ppm):
    9 chemical-shift based assignments, quality = 0.473, support = 1.5, residual support = 6.35:
        T HA    VAL   18 - HB2   PHE   72   2.59 +/- 0.48  99.264% * 98.8643% (0.47 10.00   1.50   6.35) =  99.999%  kept
          HA    VAL   70 - HB2   PHE   72   7.47 +/- 0.62   0.341% *  0.2282% (0.82  1.00   0.02  40.12) =   0.001%
          HA1   GLY   16 - HB2   PHE   72   7.64 +/- 0.90   0.368% *  0.0647% (0.23  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   PHE   72  13.20 +/- 1.19   0.012% *  0.1412% (0.51  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PHE   72  14.49 +/- 1.17   0.006% *  0.1779% (0.64  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PHE   72  15.33 +/- 0.94   0.004% *  0.1412% (0.51  1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   PHE   72  16.80 +/- 0.94   0.002% *  0.2282% (0.82  1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   PHE   72  18.00 +/- 2.16   0.003% *  0.0408% (0.15  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PHE   72  19.83 +/- 1.25   0.001% *  0.1133% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.155, support = 2.25, residual support = 6.61:
          HA    VAL   18 - HB3   PHE   72   2.91 +/- 0.65  98.782% * 39.2125% (0.15  1.00   2.26   6.35) =  99.200%  kept
          HA    VAL   70 - HB3   PHE   72   7.91 +/- 0.56   0.661% * 45.9155% (0.53  1.00   0.76  40.12) =   0.777%  kept
          HA1   GLY   16 - HB3   PHE   72   8.20 +/- 1.13   0.512% *  1.4373% (0.63  1.00   0.02   0.02) =   0.019%
        T HA    LYS+  33 - HB3   PHE   72  15.32 +/- 0.91   0.011% *  6.1092% (0.27 10.00   0.02   0.02) =   0.002%
          HB2   SER   37 - HB3   PHE   72  14.07 +/- 0.85   0.017% *  1.9401% (0.85  1.00   0.02   0.02) =   0.001%
        T HA    GLU-  29 - HB3   PHE   72  15.89 +/- 0.78   0.007% *  3.9171% (0.17 10.00   0.02   0.02) =   0.001%
          HA    GLN  116 - HB3   PHE   72  15.85 +/- 1.07   0.008% *  1.2005% (0.53  1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PHE   72  19.52 +/- 0.98   0.002% *  0.2679% (0.12  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2884 (6.69, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 4.72, residual support = 90.9:
      O T QD    PHE   72 - HB3   PHE   72   2.44 +/- 0.13  99.426% * 99.0530% (0.87  10.0 10.00   4.72  90.94) = 100.000%  kept
        T QE    PHE   45 - HB3   PHE   72  10.50 +/- 0.81   0.019% *  0.9164% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HZ    PHE   72 - HB3   PHE   72   5.84 +/- 0.00   0.556% *  0.0306% (0.27   1.0  1.00   0.02  90.94) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2885 (6.69, 2.83, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.833, support = 4.5, residual support = 90.9:
      O T QD    PHE   72 - HB2   PHE   72   2.43 +/- 0.14  99.448% * 99.8767% (0.83  10.0 10.00   4.50  90.94) = 100.000%  kept
          HZ    PHE   72 - HB2   PHE   72   5.84 +/- 0.00   0.540% *  0.0309% (0.26   1.0  1.00   0.02  90.94) =   0.000%
          QE    PHE   45 - HB2   PHE   72  11.26 +/- 0.97   0.012% *  0.0924% (0.77   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2886 (9.37, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.79, support = 5.03, residual support = 90.9:
      O   HN    PHE   72 - HB2   PHE   72   2.63 +/- 0.42  99.994% * 99.9402% (0.79  10.0   5.03  90.94) = 100.000%  kept
          HN    LEU  104 - HB2   PHE   72  14.67 +/- 0.68   0.006% *  0.0598% (0.47   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.831, support = 0.0198, residual support = 4.66:
          HB2   GLN   30 - HA    LEU   73   6.76 +/- 0.77  52.342% * 10.7462% (0.80   0.02   5.24) =  52.670%  kept
          HG3   GLN   30 - HA    LEU   73   7.53 +/- 1.09  29.115% * 13.3017% (0.99   0.02   5.24) =  36.264%  kept
          HB2   GLN   17 - HA    LEU   73   9.30 +/- 0.82  10.714% *  6.5324% (0.49   0.02   0.02) =   6.553%  kept
          QB    GLU-  15 - HA    LEU   73  10.98 +/- 0.81   3.724% *  6.5324% (0.49   0.02   0.02) =   2.278%  kept
          HB3   PRO   68 - HA    LEU   73  14.90 +/- 1.11   0.550% * 11.6413% (0.87   0.02   0.02) =   0.599%  kept
          HB3   GLU-  25 - HA    LEU   73  12.42 +/- 0.71   1.518% *  4.1422% (0.31   0.02   0.02) =   0.589%  kept
          HB2   PRO   93 - HA    LEU   73  13.29 +/- 1.28   1.130% *  2.9879% (0.22   0.02   0.02) =   0.316%
          HB3   GLU- 100 - HA    LEU   73  18.28 +/- 1.30   0.169% * 11.6413% (0.87   0.02   0.02) =   0.184%
          HB2   ARG+  54 - HA    LEU   73  19.07 +/- 2.93   0.295% *  6.5324% (0.49   0.02   0.02) =   0.180%
          HB    ILE  119 - HA    LEU   73  18.33 +/- 1.12   0.169% * 10.7462% (0.80   0.02   0.02) =   0.170%
          HB    VAL  108 - HA    LEU   73  17.71 +/- 1.32   0.204% *  7.5980% (0.57   0.02   0.02) =   0.145%
          HB2   LYS+ 111 - HA    LEU   73  21.66 +/- 2.29   0.070% *  7.5980% (0.57   0.02   0.02) =   0.050%
    Distance limit 3.69 A violated in 19 structures by 2.36 A, eliminated.
    Peak unassigned.
 
    Peak 2888 (8.49, 5.57, 52.40 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.74, residual support = 42.2:
      O   HN    LYS+  74 - HA    LEU   73   2.31 +/- 0.11  99.977% * 99.6525% (0.69  10.0   5.74  42.16) = 100.000%  kept
          HN    THR   46 - HA    LEU   73  10.23 +/- 1.16   0.021% *  0.0403% (0.28   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LEU   73  20.56 +/- 3.72   0.001% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HA    LEU   73  21.58 +/- 2.26   0.000% *  0.1448% (1.00   1.0   0.02   0.02) =   0.000%
          HN    MET   92 - HA    LEU   73  17.59 +/- 1.16   0.001% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2889 (8.96, 5.57, 52.40 ppm):
    4 chemical-shift based assignments, quality = 0.795, support = 6.46, residual support = 171.1:
      O   HN    LEU   73 - HA    LEU   73   2.93 +/- 0.01  68.633% * 97.6685% (0.80  10.0   6.50 172.74) =  99.031%  kept
          HN    ILE   19 - HA    LEU   73   3.50 +/- 0.61  30.683% *  2.1361% (0.18   1.0   2.00   4.00) =   0.968%  kept
          HN    VAL   42 - HA    LEU   73   6.55 +/- 0.58   0.682% *  0.0977% (0.80   1.0   0.02   1.68) =   0.001%
          HN    LYS+ 106 - HA    LEU   73  16.83 +/- 0.51   0.002% *  0.0977% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2890 (8.97, 1.70, 46.21 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 6.26, residual support = 172.7:
      O   HN    LEU   73 - HB2   LEU   73   3.52 +/- 0.43  95.565% * 99.6355% (0.38  10.0   6.26 172.74) =  99.995%  kept
          HN    VAL   42 - HB2   LEU   73   6.09 +/- 0.95   4.424% *  0.0996% (0.38   1.0   0.02   1.68) =   0.005%
          HN    LYS+ 106 - HB2   LEU   73  16.29 +/- 1.07   0.011% *  0.2649% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 0.802, support = 1.99, residual support = 8.16:
          HA    VAL   43 - HB2   LEU   73   4.40 +/- 1.02  95.946% * 87.9396% (0.80  1.00   2.00   8.20) =  99.496%  kept
        T HA    HIS   22 - HB2   LEU   73   8.62 +/- 1.07   3.875% * 10.9838% (1.00 10.00   0.02   0.02) =   0.502%  kept
          HA    ASN   69 - HB2   LEU   73  13.84 +/- 0.51   0.179% *  1.0766% (0.98  1.00   0.02   0.02) =   0.002%
    Distance limit 3.89 A violated in 8 structures by 0.73 A, kept.
 
    Peak 2892 (8.50, 1.38, 46.21 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.51, residual support = 42.2:
          HN    LYS+  74 - HB3   LEU   73   3.54 +/- 0.50  99.945% * 97.5260% (0.25   5.51  42.16) = 100.000%  kept
          HN    ASP-  78 - HB3   LEU   73  13.06 +/- 0.35   0.048% *  0.5840% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB3   LEU   73  21.27 +/- 2.05   0.004% *  1.0857% (0.76   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LEU   73  22.42 +/- 4.12   0.004% *  0.8043% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2893 (8.96, 1.44, 27.31 ppm):
    20 chemical-shift based assignments, quality = 0.781, support = 5.5, residual support = 164.5:
          HN    LEU   73 - HG    LEU   73   3.00 +/- 0.70  63.040% * 71.5091% (0.80   5.71 172.74) =  92.888%  kept
          HN    VAL   42 - HG    LEU   73   4.11 +/- 1.17  13.129% * 16.6565% (0.80   1.33   1.68) =   4.506%  kept
          HN    ILE   19 - HG12  ILE   19   3.78 +/- 0.65  19.831% *  5.6129% (0.06   6.27 173.80) =   2.294%  kept
          HN    VAL   42 - HG    LEU   40   5.32 +/- 1.09   2.767% *  5.4464% (0.15   2.33   1.25) =   0.310%
          HN    ILE   19 - HG    LEU   73   6.03 +/- 0.59   0.694% *  0.0548% (0.18   0.02   4.00) =   0.001%
          HN    LEU   73 - HG12  ILE   19   7.54 +/- 1.24   0.323% *  0.0818% (0.26   0.02   4.00) =   0.001%
          HN    VAL   42 - HG12  ILE   19   9.65 +/- 1.75   0.065% *  0.0818% (0.26   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   40   9.07 +/- 0.96   0.063% *  0.0467% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   40  11.07 +/- 0.83   0.018% *  0.0467% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  15.30 +/- 1.24   0.002% *  0.2506% (0.80   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   80  12.27 +/- 2.51   0.012% *  0.0305% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU  115  10.40 +/- 1.18   0.028% *  0.0069% (0.02   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  14.76 +/- 2.87   0.004% *  0.0305% (0.10   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  11.97 +/- 1.17   0.011% *  0.0102% (0.03   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  13.77 +/- 1.94   0.005% *  0.0067% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  20.97 +/- 1.48   0.000% *  0.0818% (0.26   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU  115  14.86 +/- 1.52   0.004% *  0.0069% (0.02   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU  115  15.85 +/- 1.35   0.002% *  0.0069% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  21.21 +/- 3.28   0.000% *  0.0305% (0.10   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU  115  16.94 +/- 1.49   0.002% *  0.0015% (0.00   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 0.0806, support = 1.43, residual support = 1.52:
          HN    LEU   71 - HG    LEU   40   5.07 +/- 0.92  67.285% * 46.8072% (0.05   1.62   1.77) =  86.039%  kept
          HN    LEU   71 - HG    LEU   73   6.95 +/- 0.94  13.049% * 36.2897% (0.28   0.23   0.02) =  12.936%  kept
          HN    THR   26 - HG    LEU   73   9.39 +/- 1.06   1.860% *  9.2830% (0.84   0.02   0.02) =   0.472%
          HN    THR   26 - HG    LEU   80   7.79 +/- 2.47  11.593% *  1.1296% (0.10   0.02   0.02) =   0.358%
          HN    LEU   71 - HG12  ILE   19   8.93 +/- 1.70   5.637% *  1.0092% (0.09   0.02   0.02) =   0.155%
          HN    THR   26 - HG12  ILE   19  11.70 +/- 0.66   0.447% *  3.0317% (0.27   0.02   0.02) =   0.037%
          HN    THR   26 - HG    LEU   40  17.95 +/- 1.23   0.034% *  1.7307% (0.16   0.02   0.02) =   0.002%
          HN    LEU   71 - HG    LEU   80  18.16 +/- 2.46   0.040% *  0.3760% (0.03   0.02   0.02) =   0.000%
          HN    LEU   71 - HG    LEU  115  17.09 +/- 1.37   0.051% *  0.0857% (0.01   0.02   0.02) =   0.000%
          HN    THR   26 - HG    LEU  115  25.11 +/- 1.56   0.005% *  0.2574% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 12 structures by 1.02 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2895 (8.97, 0.78, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.375, support = 7.99, residual support = 170.9:
          HN    LEU   73 - QD2   LEU   73   2.82 +/- 0.54  83.383% * 93.3585% (0.38   8.07 172.74) =  98.910%  kept
          HN    VAL   42 - QD2   LEU   73   4.00 +/- 0.55  15.098% *  5.6593% (0.38   0.49   1.68) =   1.086%  kept
          HN    LYS+ 106 - HG3   LYS+ 121   7.09 +/- 1.92   1.497% *  0.2096% (0.34   0.02   0.02) =   0.004%
          HN    LYS+ 106 - QD2   LEU   73  13.69 +/- 1.03   0.007% *  0.6148% (1.00   0.02   0.02) =   0.000%
          HN    VAL   42 - HG3   LYS+ 121  15.00 +/- 2.74   0.010% *  0.0789% (0.13   0.02   0.02) =   0.000%
          HN    LEU   73 - HG3   LYS+ 121  16.97 +/- 2.35   0.004% *  0.0789% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2897 (8.50, 0.78, 24.39 ppm):
    8 chemical-shift based assignments, quality = 0.249, support = 5.91, residual support = 42.2:
          HN    LYS+  74 - QD2   LEU   73   3.88 +/- 0.17  99.785% * 96.8176% (0.25   5.91  42.16) =  99.999%  kept
          HN    ASP-  78 - QD2   LEU   73  12.72 +/- 1.11   0.100% *  0.5405% (0.41   0.02   0.02) =   0.001%
          HN    MET   11 - QD2   LEU   73  16.84 +/- 3.55   0.064% *  0.7444% (0.57   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QD2   LEU   73  18.94 +/- 1.94   0.014% *  1.0048% (0.76   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HG3   LYS+ 121  15.42 +/- 1.37   0.031% *  0.3426% (0.26   0.02   0.02) =   0.000%
          HN    LYS+  74 - HG3   LYS+ 121  20.88 +/- 2.04   0.005% *  0.1118% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 121  26.37 +/- 1.86   0.001% *  0.1843% (0.14   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 121  34.14 +/- 4.44   0.000% *  0.2538% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2898 (8.50, 1.48, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.2, support = 5.82, residual support = 187.5:
      O   HN    LYS+  74 - HB2   LYS+  74   2.82 +/- 0.31  99.923% * 99.3064% (0.20  10.0   5.82 187.48) = 100.000%  kept
          HN    ASP-  78 - HB2   LYS+  74  10.49 +/- 0.97   0.071% *  0.1637% (0.33   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+  74  22.30 +/- 4.06   0.004% *  0.2255% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB2   LYS+  74  19.91 +/- 2.67   0.002% *  0.3044% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2899 (8.51, 1.41, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 4.42, residual support = 32.0:
          HN    VAL   75 - HB3   LYS+  74   4.08 +/- 0.31  99.421% * 98.5342% (0.41   4.42  32.03) =  99.995%  kept
          HN    ASP-  78 - HB3   LYS+  74   9.90 +/- 0.93   0.503% *  0.9410% (0.87   0.02   0.02) =   0.005%
          HN    MET   11 - HB3   LYS+  74  22.43 +/- 4.23   0.052% *  0.1900% (0.18   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB3   LYS+  74  20.48 +/- 2.86   0.024% *  0.3348% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.47 A, kept.
 
    Peak 2900 (8.52, 1.24, 25.23 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 5.69, residual support = 32.0:
          HN    VAL   75 - HG2   LYS+  74   3.03 +/- 0.58  99.856% * 99.5080% (0.84   5.69  32.03) =  99.999%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.18 +/- 1.05   0.138% *  0.4107% (0.98   0.02   0.02) =   0.001%
          HN    ASP-  78 - HG3   LYS+ 111  20.85 +/- 3.27   0.003% *  0.0439% (0.10   0.02   0.02) =   0.000%
          HN    VAL   75 - HG3   LYS+ 111  18.88 +/- 2.27   0.003% *  0.0374% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2901 (0.45, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 0.335, residual support = 0.335:
          QG1   VAL   75 - HA    THR   77   3.58 +/- 0.18  99.969% * 95.5857% (0.84   0.34   0.34) =  99.999%  kept
          QD1   LEU  115 - HA    THR   77  15.40 +/- 1.67   0.031% *  4.4143% (0.65   0.02   0.02) =   0.001%
    Distance limit 3.46 A violated in 0 structures by 0.15 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2902 (8.53, 2.78, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.95, residual support = 38.8:
      O   HN    ASP-  78 - HB3   ASP-  78   2.87 +/- 0.65  99.943% * 99.9053% (0.95  10.0   3.95  38.78) = 100.000%  kept
          HN    VAL   75 - HB3   ASP-  78  10.40 +/- 0.83   0.057% *  0.0947% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2903 (8.53, 2.91, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 5.05, residual support = 38.8:
      O   HN    ASP-  78 - HB2   ASP-  78   2.70 +/- 0.34  99.954% * 99.9053% (0.95  10.0   5.05  38.78) = 100.000%  kept
          HN    VAL   75 - HB2   ASP-  78   9.95 +/- 0.47   0.046% *  0.0947% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 4.3, residual support = 55.3:
      O T HB3   GLU-  79 - HA    GLU-  79   2.73 +/- 0.19  99.982% * 99.1581% (1.00  10.0 10.00   4.30  55.33) = 100.000%  kept
        T HB2   GLN   90 - HA    GLU-  79  12.99 +/- 1.98   0.014% *  0.6014% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  79  16.41 +/- 1.27   0.003% *  0.0408% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU-  79  18.09 +/- 1.10   0.001% *  0.0794% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  79  23.58 +/- 0.72   0.000% *  0.0983% (0.99   1.0  1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  79  28.74 +/- 1.69   0.000% *  0.0221% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2905 (2.38, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 3.6, residual support = 55.3:
      O   QG    GLU-  79 - HB3   GLU-  79   2.41 +/- 0.16  99.980% * 99.5936% (0.98  10.0   3.60  55.33) = 100.000%  kept
          QG    GLU-  79 - HB2   GLN   90  13.24 +/- 2.29   0.018% *  0.0370% (0.36   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU-  79  19.38 +/- 1.78   0.000% *  0.0776% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB3   GLU-  79  21.94 +/- 1.82   0.000% *  0.0418% (0.41   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  79  20.35 +/- 1.78   0.000% *  0.0226% (0.22   1.0   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLN   90  17.89 +/- 0.83   0.001% *  0.0084% (0.08   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   GLU-  79  27.67 +/- 1.86   0.000% *  0.0698% (0.69   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU-  79  27.41 +/- 1.95   0.000% *  0.0575% (0.57   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLN   90  22.49 +/- 1.25   0.000% *  0.0155% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLN   90  24.30 +/- 1.71   0.000% *  0.0214% (0.21   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   GLN   90  25.57 +/- 1.54   0.000% *  0.0289% (0.28   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLN   90  30.01 +/- 1.89   0.000% *  0.0259% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2906 (2.90, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.934, support = 2.68, residual support = 7.18:
          HB2   ASP-  76 - HB3   GLU-  79   3.40 +/- 1.01  82.333% * 35.4873% (1.00  1.00   1.98   3.36) =  72.776%  kept
          HB2   ASP-  78 - HB3   GLU-  79   4.78 +/- 0.96  17.427% * 62.7151% (0.76  1.00   4.56  17.42) =  27.223%  kept
        T HB2   ASN   28 - HB3   GLU-  79  14.40 +/- 1.90   0.028% *  0.6304% (0.18 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB2   GLN   90  11.26 +/- 1.84   0.155% *  0.1022% (0.28  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB2   GLN   90  13.05 +/- 1.84   0.048% *  0.1335% (0.37  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   GLU-  79  18.13 +/- 1.46   0.005% *  0.0898% (0.25  1.00   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HB2   GLN   90  22.17 +/- 1.25   0.002% *  0.2342% (0.07 10.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   GLU-  79  26.24 +/- 0.81   0.001% *  0.3474% (0.97  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB3   GLU-  79  24.81 +/- 1.08   0.001% *  0.0712% (0.20  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLN   90  26.16 +/- 1.76   0.001% *  0.0334% (0.09  1.00   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLN   90  32.07 +/- 1.33   0.000% *  0.1291% (0.36  1.00   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLN   90  26.90 +/- 2.01   0.000% *  0.0265% (0.07  1.00   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2907 (4.26, 2.14, 31.53 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 4.3, residual support = 55.3:
      O T HA    GLU-  79 - HB3   GLU-  79   2.73 +/- 0.19  98.128% * 98.8585% (0.80  10.0 10.00   4.30  55.33) = 100.000%  kept
          HB    THR   77 - HB2   GLN   90   6.77 +/- 1.90   1.371% *  0.0142% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  79   8.08 +/- 0.58   0.183% *  0.0381% (0.31   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HB2   GLN   90  12.99 +/- 1.98   0.013% *  0.3673% (0.30   1.0 10.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLN   90   7.98 +/- 1.05   0.235% *  0.0142% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  14.26 +/- 3.42   0.029% *  0.0434% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  12.86 +/- 1.01   0.012% *  0.0381% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  18.49 +/- 3.21   0.009% *  0.0450% (0.36   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  13.20 +/- 1.12   0.010% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  17.38 +/- 2.41   0.002% *  0.1210% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  18.44 +/- 2.82   0.002% *  0.1168% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  14.80 +/- 1.15   0.005% *  0.0114% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  24.45 +/- 1.07   0.000% *  0.1071% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  22.71 +/- 2.26   0.000% *  0.0508% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  26.93 +/- 5.25   0.000% *  0.0275% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  22.40 +/- 2.06   0.000% *  0.0189% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB3   GLU-  79  28.73 +/- 2.11   0.000% *  0.0343% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  29.78 +/- 1.12   0.000% *  0.0398% (0.32   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER  117 - HB2   GLN   90  25.87 +/- 1.75   0.000% *  0.0128% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  38.03 +/- 4.83   0.000% *  0.0102% (0.08   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2908 (4.47, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.27, support = 3.96, residual support = 95.6:
      O T HA    GLN   90 - HB2   GLN   90   2.52 +/- 0.20  97.454% * 96.0605% (0.27  10.0 10.00   3.96  95.63) =  99.992%  kept
        T HA    GLN   90 - HB3   GLU-  79  11.77 +/- 2.24   0.244% *  2.5853% (0.73   1.0 10.00   0.02   0.02) =   0.007%
          HA    ALA   91 - HB2   GLN   90   4.95 +/- 0.32   2.234% *  0.0644% (0.18   1.0  1.00   0.02  32.10) =   0.002%
          HA    ALA   91 - HB3   GLU-  79  14.21 +/- 3.13   0.051% *  0.1733% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   GLU-  79  12.36 +/- 1.48   0.009% *  0.0990% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  20.83 +/- 3.59   0.001% *  0.2974% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  15.29 +/- 1.93   0.003% *  0.1105% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  19.30 +/- 2.76   0.001% *  0.0696% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  21.96 +/- 2.08   0.000% *  0.2303% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  21.28 +/- 2.69   0.000% *  0.1873% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  18.00 +/- 0.86   0.001% *  0.0856% (0.24   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   GLN   90  20.58 +/- 1.31   0.000% *  0.0368% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2909 (2.90, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 0.941, support = 2.44, residual support = 6.75:
          HB2   ASP-  76 - HB2   GLU-  79   3.13 +/- 1.13  85.642% * 34.2365% (1.00   1.80   3.36) =  75.836%  kept
          HB2   ASP-  78 - HB2   GLU-  79   4.84 +/- 0.72  14.339% * 65.1576% (0.76   4.47  17.42) =  24.164%  kept
          HB2   ASN   28 - HB2   GLU-  79  14.05 +/- 1.76   0.016% *  0.0668% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLU-  79  17.84 +/- 1.39   0.003% *  0.0952% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLU-  79  25.86 +/- 1.01   0.000% *  0.3684% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLU-  79  24.53 +/- 1.03   0.001% *  0.0755% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2910 (8.07, 2.31, 31.53 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 5.48, residual support = 49.3:
          HN    LEU   80 - HB2   GLU-  79   2.62 +/- 0.60  99.907% * 98.5428% (0.61   5.48  49.26) = 100.000%  kept
          HN    SER   85 - HB2   GLU-  79  10.13 +/- 0.86   0.082% *  0.2888% (0.49   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   GLU-  79  16.46 +/- 2.37   0.009% *  0.2227% (0.38   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLU-  79  18.10 +/- 1.57   0.001% *  0.5147% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLU-  79  19.74 +/- 1.35   0.001% *  0.4309% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2911 (8.07, 2.14, 31.53 ppm):
    10 chemical-shift based assignments, quality = 0.607, support = 5.65, residual support = 49.3:
          HN    LEU   80 - HB3   GLU-  79   2.94 +/- 0.77  99.358% * 97.9458% (0.61   5.65  49.26) =  99.999%  kept
          HN    SER   85 - HB2   GLN   90   8.99 +/- 1.27   0.379% *  0.1034% (0.18   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   GLU-  79  10.46 +/- 0.93   0.104% *  0.2783% (0.49   0.02   0.02) =   0.000%
          HN    LEU   80 - HB2   GLN   90  12.27 +/- 1.61   0.075% *  0.1288% (0.23   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   GLU-  79  16.65 +/- 2.64   0.027% *  0.2145% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   GLN   90  13.14 +/- 3.16   0.053% *  0.0797% (0.14   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  18.51 +/- 1.65   0.003% *  0.4959% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - HB3   GLU-  79  20.17 +/- 1.32   0.002% *  0.4151% (0.73   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  25.55 +/- 1.48   0.000% *  0.1842% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLN   90  26.97 +/- 1.27   0.000% *  0.1542% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2912 (8.61, 2.14, 31.53 ppm):
    8 chemical-shift based assignments, quality = 0.225, support = 5.59, residual support = 95.6:
      O   HN    GLN   90 - HB2   GLN   90   3.65 +/- 0.53  98.318% * 98.6230% (0.23  10.0   5.59  95.63) =  99.998%  kept
          HN    GLN   90 - HB3   GLU-  79  12.11 +/- 2.29   0.373% *  0.2654% (0.61   1.0   0.02   0.02) =   0.001%
          HE1   HIS   22 - HB3   GLU-  79  11.31 +/- 3.14   1.228% *  0.0675% (0.15   1.0   0.02   0.02) =   0.001%
          HN    GLY  109 - HB2   GLN   90  13.52 +/- 1.41   0.056% *  0.1458% (0.33   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB3   GLU-  79  19.84 +/- 3.18   0.016% *  0.3925% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLU-  79  24.21 +/- 2.68   0.002% *  0.3504% (0.80   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB2   GLN   90  23.35 +/- 2.55   0.002% *  0.1302% (0.30   1.0   0.02   0.02) =   0.000%
          HE1   HIS   22 - HB2   GLN   90  23.71 +/- 3.10   0.003% *  0.0251% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2913 (8.07, 2.38, 37.37 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 5.16, residual support = 49.3:
          HN    LEU   80 - QG    GLU-  79   3.43 +/- 0.68  99.732% * 98.4559% (0.61   5.16  49.26) =  99.999%  kept
          HN    SER   85 - QG    GLU-  79   9.88 +/- 0.94   0.235% *  0.3061% (0.49   0.02   0.02) =   0.001%
          HN    GLN   32 - QG    GLU-  79  16.29 +/- 1.34   0.013% *  0.5454% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - QG    GLU-  79  17.97 +/- 1.17   0.007% *  0.4566% (0.73   0.02   0.02) =   0.000%
          HN    CYS   53 - QG    GLU-  79  16.44 +/- 2.26   0.013% *  0.2360% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2914 (8.06, 4.27, 58.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 5.52, residual support = 49.3:
      O   HN    LEU   80 - HA    GLU-  79   3.48 +/- 0.29  99.781% * 99.2120% (0.28  10.0   5.52  49.26) =  99.999%  kept
          HN    SER   85 - HA    GLU-  79   9.82 +/- 0.50   0.214% *  0.2980% (0.84   1.0   0.02   0.02) =   0.001%
          HN    GLN   32 - HA    GLU-  79  19.82 +/- 1.19   0.003% *  0.3560% (1.00   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    GLU-  79  21.73 +/- 0.95   0.002% *  0.1339% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.31 A, kept.
 
    Peak 2915 (1.40, 0.59, 24.39 ppm):
    15 chemical-shift based assignments, quality = 0.644, support = 4.12, residual support = 80.0:
      O   HB2   LEU   80 - QD2   LEU   80   2.38 +/- 0.27  34.624% * 71.2691% (0.87  10.0  1.00   3.88  80.01) =  57.455%  kept
      O   HG    LEU   80 - QD2   LEU   80   2.11 +/- 0.02  65.199% * 28.0259% (0.34  10.0  1.00   4.44  80.01) =  42.545%  kept
        T HB3   LEU   73 - QD2   LEU   80   7.23 +/- 2.57   0.089% *  0.2049% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   80   7.09 +/- 1.53   0.075% *  0.0805% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          QB    LEU   98 - QD2   LEU   80  12.42 +/- 3.01   0.003% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   80  11.66 +/- 1.53   0.003% *  0.0368% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   80  16.00 +/- 3.34   0.001% *  0.0628% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   80  12.02 +/- 2.08   0.003% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   80  13.69 +/- 2.52   0.001% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   80  14.70 +/- 2.12   0.001% *  0.0308% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   80  13.31 +/- 1.14   0.001% *  0.0163% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   80  21.47 +/- 2.64   0.000% *  0.0793% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   80  18.14 +/- 1.43   0.000% *  0.0254% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   80  18.97 +/- 3.88   0.000% *  0.0183% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   80  21.24 +/- 2.28   0.000% *  0.0144% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2916 (4.82, 0.59, 24.39 ppm):
    5 chemical-shift based assignments, quality = 0.921, support = 4.37, residual support = 35.4:
          HA    THR   23 - QD2   LEU   80   3.05 +/- 2.28  56.379% * 32.1237% (0.99   3.36   5.63) =  52.127%  kept
          HA    LEU   80 - QD2   LEU   80   3.21 +/- 0.83  27.416% * 50.6933% (0.87   6.06  80.01) =  40.002%  kept
          HB    THR   23 - QD2   LEU   80   3.98 +/- 2.18  16.142% * 16.9422% (0.73   2.42   5.63) =   7.871%  kept
          HA    ASP-  78 - QD2   LEU   80   7.69 +/- 0.69   0.062% *  0.1544% (0.80   0.02   4.04) =   0.000%
          HA    ASP- 105 - QD2   LEU   80  17.94 +/- 2.82   0.001% *  0.0864% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2917 (7.32, 0.59, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 3.09, residual support = 10.5:
          HE3   TRP   27 - QD2   LEU   80   5.29 +/- 3.84  40.080% * 43.7432% (0.92   2.60   5.37) =  55.191%  kept
          HN    THR   23 - QD2   LEU   80   4.22 +/- 1.96  44.078% * 19.2444% (0.41   2.57   5.63) =  26.703%  kept
          HN    LYS+  81 - QD2   LEU   80   4.99 +/- 0.94  15.765% * 36.4837% (0.38   5.34  33.41) =  18.106%  kept
          QE    PHE   95 - QD2   LEU   80  11.58 +/- 2.49   0.068% *  0.1633% (0.45   0.02   0.02) =   0.000%
          QD    PHE   55 - QD2   LEU   80  17.13 +/- 1.57   0.005% *  0.3160% (0.87   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   80  17.56 +/- 1.35   0.004% *  0.0493% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2918 (9.19, 0.59, 24.39 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 2.95, residual support = 8.79:
          HN    VAL   24 - QD2   LEU   80   3.13 +/- 2.72  99.315% * 99.5132% (0.31   2.95   8.79) =  99.997%  kept
          HN    VAL   43 - QD2   LEU   80  10.46 +/- 2.51   0.685% *  0.4868% (0.22   0.02   0.02) =   0.003%
    Distance limit 3.46 A violated in 3 structures by 0.67 A, kept.
 
    Peak 2919 (7.32, 0.56, 25.66 ppm):
    12 chemical-shift based assignments, quality = 0.289, support = 3.92, residual support = 24.6:
          HN    LYS+  81 - QD1   LEU   80   4.07 +/- 0.76  39.138% * 59.5569% (0.24   5.21  33.41) =  68.382%  kept
          HN    THR   23 - QD1   LEU   80   4.78 +/- 2.16  39.218% * 17.3536% (0.27   1.38   5.63) =  19.966%  kept
          HE3   TRP   27 - QD1   LEU   80   6.61 +/- 3.53  18.783% * 21.1007% (0.60   0.75   5.37) =  11.627%  kept
          HE3   TRP   27 - QD2   LEU   98   7.52 +/- 1.55   2.549% *  0.3225% (0.34   0.02   0.02) =   0.024%
          QE    PHE   95 - QD2   LEU   98  10.11 +/- 1.16   0.160% *  0.1566% (0.17   0.02   0.02) =   0.001%
          QE    PHE   95 - QD1   LEU   80  12.30 +/- 2.62   0.069% *  0.2733% (0.29   0.02   0.02) =   0.001%
          HN    THR   23 - QD2   LEU   98  13.02 +/- 1.47   0.032% *  0.1436% (0.15   0.02   0.02) =   0.000%
          QD    PHE   55 - QD1   LEU   80  17.44 +/- 1.76   0.006% *  0.5287% (0.56   0.02   0.02) =   0.000%
          QD    PHE   55 - QD2   LEU   98  17.34 +/- 2.18   0.008% *  0.3031% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD2   LEU   98  16.05 +/- 3.05   0.012% *  0.1311% (0.14   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   98  13.41 +/- 1.05   0.023% *  0.0473% (0.05   0.02   0.02) =   0.000%
          HN    LEU   67 - QD1   LEU   80  18.63 +/- 1.69   0.003% *  0.0825% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2920 (7.30, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 5.72, residual support = 108.8:
          HN    LYS+  81 - QG    LYS+  81   2.45 +/- 0.36  99.944% * 98.7536% (0.87   5.72 108.77) = 100.000%  kept
          HE3   TRP   27 - QG    LYS+  81  12.00 +/- 2.61   0.018% *  0.1786% (0.45   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+  33  11.68 +/- 1.80   0.017% *  0.0855% (0.21   0.02   0.02) =   0.000%
          QD    PHE   60 - QG    LYS+  81  16.08 +/- 1.92   0.003% *  0.2096% (0.53   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+ 106  13.33 +/- 0.97   0.006% *  0.0461% (0.12   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+  33  16.42 +/- 2.19   0.002% *  0.1003% (0.25   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  14.84 +/- 1.66   0.005% *  0.0393% (0.10   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  20.12 +/- 2.31   0.001% *  0.1495% (0.38   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  16.20 +/- 1.84   0.002% *  0.0329% (0.08   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  21.33 +/- 1.96   0.000% *  0.1654% (0.42   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  21.84 +/- 3.11   0.001% *  0.0760% (0.19   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+  33  18.84 +/- 2.08   0.001% *  0.0258% (0.06   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+ 106  18.02 +/- 1.01   0.001% *  0.0119% (0.03   0.02   0.02) =   0.000%
          HN    LYS+  66 - QG    LYS+  81  24.95 +/- 1.14   0.000% *  0.0539% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  26.61 +/- 2.88   0.000% *  0.0716% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 0.629, residual support = 0.628:
          HN    GLU-  79 - QG    LYS+  81   5.58 +/- 1.07  91.035% * 92.8238% (0.65   0.63   0.63) =  99.941%  kept
          HN    VAL   70 - HG2   LYS+  33  12.15 +/- 2.35   3.164% *  0.8974% (0.20   0.02   0.02) =   0.034%
          HN    THR   94 - HG2   LYS+ 106  10.16 +/- 1.32   4.849% *  0.2501% (0.05   0.02   0.94) =   0.014%
          HN    THR   94 - QG    LYS+  81  14.26 +/- 1.41   0.607% *  1.1368% (0.25   0.02   0.02) =   0.008%
          HN    GLU-  79 - HG2   LYS+  33  21.21 +/- 1.01   0.045% *  1.4121% (0.31   0.02   0.02) =   0.001%
          HN    VAL   70 - HG2   LYS+ 106  17.72 +/- 1.22   0.143% *  0.4124% (0.09   0.02   0.02) =   0.001%
          HN    GLU-  79 - HG2   LYS+ 106  20.86 +/- 2.74   0.078% *  0.6489% (0.14   0.02   0.02) =   0.001%
          HN    VAL   70 - QG    LYS+  81  24.34 +/- 0.70   0.020% *  1.8743% (0.41   0.02   0.02) =   0.000%
          HN    THR   94 - HG2   LYS+  33  21.12 +/- 1.47   0.059% *  0.5443% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 15 structures by 1.80 A, eliminated.
    Peak unassigned.
 
    Peak 2922 (7.32, 1.87, 32.96 ppm):
    12 chemical-shift based assignments, quality = 0.375, support = 5.21, residual support = 108.8:
      O   HN    LYS+  81 - QB    LYS+  81   2.34 +/- 0.17  98.868% * 99.1682% (0.38  10.0   5.21 108.77) = 100.000%  kept
          QD    PHE   55 - HB3   PRO   52   5.55 +/- 0.70   1.078% *  0.0263% (0.10   1.0   0.02   0.58) =   0.000%
          HE3   TRP   27 - QB    LYS+  81  12.05 +/- 2.64   0.011% *  0.2439% (0.92   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - QB    LYS+  81  10.75 +/- 1.08   0.014% *  0.1086% (0.41   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   PRO   52   9.82 +/- 1.83   0.026% *  0.0136% (0.05   1.0   0.02   0.02) =   0.000%
          QE    PHE   95 - QB    LYS+  81  16.70 +/- 1.69   0.001% *  0.1185% (0.45   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    LYS+  81  20.66 +/- 2.19   0.000% *  0.2292% (0.87   1.0   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   PRO   52  20.70 +/- 1.22   0.000% *  0.0280% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PRO   52  20.78 +/- 2.85   0.000% *  0.0114% (0.04   1.0   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   PRO   52  21.78 +/- 1.71   0.000% *  0.0125% (0.05   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    LYS+  81  25.31 +/- 0.64   0.000% *  0.0358% (0.14   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   PRO   52  21.02 +/- 1.29   0.000% *  0.0041% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2923 (7.30, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.3, residual support = 108.8:
      O   HN    LYS+  81 - HA    LYS+  81   2.77 +/- 0.06  99.969% * 99.8291% (0.87  10.0   5.30 108.77) = 100.000%  kept
          HE3   TRP   27 - HA    LYS+  81  12.08 +/- 2.71   0.028% *  0.0516% (0.45   1.0   0.02   0.02) =   0.000%
          QD    PHE   60 - HA    LYS+  81  16.85 +/- 2.03   0.003% *  0.0605% (0.53   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    LYS+  81  21.27 +/- 2.30   0.001% *  0.0432% (0.38   1.0   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    LYS+  81  26.71 +/- 1.26   0.000% *  0.0156% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2924 (4.83, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.593, support = 3.54, residual support = 21.5:
          HA    LEU   80 - QG    LYS+  81   4.30 +/- 0.46  52.491% * 58.9292% (0.38   4.84  33.41) =  63.917%  kept
          HA    ASP-  78 - QG    LYS+  81   5.01 +/- 1.78  44.563% * 39.1677% (0.98   1.23   0.42) =  36.066%  kept
          HA    THR   23 - QG    LYS+  81   8.67 +/- 1.52   1.162% *  0.4962% (0.76   0.02   0.02) =   0.012%
          HB    THR   23 - QG    LYS+  81   8.26 +/- 1.49   1.326% *  0.1619% (0.25   0.02   0.02) =   0.004%
          HA    PHE   45 - QG    LYS+  81  11.31 +/- 1.59   0.158% *  0.1002% (0.15   0.02   0.02) =   0.000%
          HA    THR   23 - HG2   LYS+  33  14.73 +/- 0.77   0.026% *  0.2376% (0.37   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+ 106  12.89 +/- 1.96   0.223% *  0.0220% (0.03   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+  33  15.64 +/- 1.14   0.020% *  0.0775% (0.12   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+  33  19.18 +/- 2.12   0.006% *  0.1167% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+ 106  21.62 +/- 3.04   0.004% *  0.1400% (0.22   0.02   0.02) =   0.000%
          HA    THR   23 - HG2   LYS+ 106  19.99 +/- 2.29   0.004% *  0.1092% (0.17   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+  33  24.36 +/- 0.92   0.001% *  0.3047% (0.47   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+  33  18.35 +/- 1.21   0.008% *  0.0480% (0.07   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+ 106  20.85 +/- 3.32   0.004% *  0.0536% (0.08   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+ 106  21.84 +/- 2.47   0.003% *  0.0356% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2925 (9.48, 3.99, 61.93 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2926 (8.66, 3.85, 61.93 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 3.71, residual support = 34.8:
      O   HN    SER   82 - HB3   SER   82   2.86 +/- 0.40 100.000% * 99.5254% (0.41  10.0   3.71  34.82) = 100.000%  kept
          HN    GLY   16 - HB3   SER   82  25.25 +/- 1.52   0.000% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HB3   SER   82  28.83 +/- 1.97   0.000% *  0.2373% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 0.373, support = 3.36, residual support = 15.3:
      O   HN    TRP   49 - HA    SER   48   3.53 +/- 0.06  36.474% * 84.7065% (0.40  10.0   3.27  14.75) =  84.091%  kept
          HN    VAL   83 - HB2   SER   82   3.32 +/- 0.22  51.609% * 10.3221% (0.24   1.0   4.10  19.85) =  14.499%  kept
          HN    CYS   50 - HA    SER   48   4.71 +/- 1.13  11.764% *  4.4010% (0.36   1.0   1.16   0.02) =   1.409%  kept
          HE22  GLN   30 - HA    VAL   70   9.53 +/- 1.11   0.121% *  0.0239% (0.11   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HB2   SER   82  17.54 +/- 2.30   0.005% *  0.1543% (0.72   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - HB2   SER   82  16.00 +/- 2.49   0.006% *  0.0689% (0.32   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    SER   48  14.55 +/- 2.35   0.015% *  0.0276% (0.13   1.0   0.02   0.02) =   0.000%
          HN    CYS   50 - HB2   SER   82  19.17 +/- 2.62   0.003% *  0.1387% (0.65   1.0   0.02   0.02) =   0.000%
          HE22  GLN   30 - HA    SER   48  20.29 +/- 2.63   0.002% *  0.0378% (0.18   1.0   0.02   0.02) =   0.000%
          HN    CYS   50 - HA    VAL   70  24.74 +/- 1.84   0.000% *  0.0481% (0.23   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   70  25.36 +/- 1.85   0.000% *  0.0536% (0.25   1.0   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    VAL   70  21.91 +/- 1.23   0.001% *  0.0175% (0.08   1.0   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2928 (8.66, 3.99, 61.93 ppm):
    9 chemical-shift based assignments, quality = 0.389, support = 4.32, residual support = 34.8:
      O   HN    SER   82 - HB2   SER   82   2.58 +/- 0.68  99.424% * 99.0159% (0.39  10.0   4.32  34.82) = 100.000%  kept
          HN    GLY   16 - HA    VAL   70   8.35 +/- 1.64   0.539% *  0.0820% (0.32   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    SER   48  15.01 +/- 2.79   0.033% *  0.0544% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    VAL   70  18.82 +/- 1.29   0.002% *  0.0820% (0.32   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    SER   48  23.15 +/- 2.72   0.001% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HB2   SER   82  25.77 +/- 1.29   0.000% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HA    SER   48  22.84 +/- 2.28   0.000% *  0.1296% (0.51   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - HB2   SER   82  29.55 +/- 1.70   0.000% *  0.2361% (0.93   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    VAL   70  24.13 +/- 1.23   0.000% *  0.0344% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2929 (7.56, 1.66, 32.03 ppm):
    4 chemical-shift based assignments, quality = 0.437, support = 5.35, residual support = 43.2:
          HN    ALA   84 - HB    VAL   83   3.18 +/- 0.28  99.992% * 98.8160% (0.44   5.35  43.16) = 100.000%  kept
          HE21  GLN   32 - HB    VAL   83  19.42 +/- 2.13   0.003% *  0.6812% (0.80   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB    VAL   83  20.55 +/- 2.67   0.002% *  0.3697% (0.44   0.02   0.02) =   0.000%
          HN    ILE   56 - HB    VAL   83  18.91 +/- 2.08   0.003% *  0.1330% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2930 (6.60, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.651, support = 4.77, residual support = 87.3:
      O   HN    VAL   83 - HB    VAL   83   2.21 +/- 0.34  99.995% * 99.8243% (0.65  10.0   4.77  87.28) = 100.000%  kept
          HN    CYS   50 - HB    VAL   83  15.36 +/- 2.17   0.002% *  0.1375% (0.90   1.0   0.02   0.02) =   0.000%
          HN    TRP   49 - HB    VAL   83  14.15 +/- 1.92   0.003% *  0.0382% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2931 (7.61, 3.68, 55.33 ppm):
    5 chemical-shift based assignments, quality = 0.943, support = 0.0199, residual support = 0.0199:
          HZ2   TRP   87 - HA    ALA   84   8.36 +/- 0.38  83.150% * 31.7530% (0.96   0.02   0.02) =  86.394%  kept
          HD21  ASN   28 - HA    ALA   84  12.50 +/- 1.48  10.306% * 30.7120% (0.93   0.02   0.02) =  10.357%  kept
          QE    PHE   60 - HA    ALA   84  14.28 +/- 2.34   5.109% * 16.7431% (0.51   0.02   0.02) =   2.799%  kept
          HN    ILE   56 - HA    ALA   84  17.68 +/- 1.87   1.097% *  8.8482% (0.27   0.02   0.02) =   0.318%
          HN    LEU   63 - HA    ALA   84  21.15 +/- 1.29   0.338% * 11.9438% (0.36   0.02   0.02) =   0.132%
    Distance limit 3.48 A violated in 20 structures by 4.64 A, eliminated.
    Peak unassigned.
 
    Peak 2932 (6.69, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.803, support = 0.0199, residual support = 0.0199:
          QE    PHE   45 - HA    ALA   84   5.72 +/- 1.33  99.650% * 37.7702% (0.81   0.02   0.02) =  99.640%  kept
          QD    PHE   72 - HA    ALA   84  16.78 +/- 0.87   0.283% * 43.6396% (0.93   0.02   0.02) =   0.327%
          HZ    PHE   72 - HA    ALA   84  21.58 +/- 1.49   0.067% * 18.5902% (0.40   0.02   0.02) =   0.033%
    Distance limit 4.03 A violated in 16 structures by 1.80 A, eliminated.
    Peak unassigned.
 
    Peak 2933 (1.74, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.913, support = 1.38, residual support = 10.7:
          HB    ILE   89 - HA    ALA   84   3.22 +/- 1.70  99.332% * 98.4658% (0.91   1.38  10.75) =  99.995%  kept
          QG1   ILE   56 - HA    ALA   84  15.26 +/- 2.17   0.655% *  0.6780% (0.43   0.02   0.02) =   0.005%
          HB3   LYS+  99 - HA    ALA   84  22.83 +/- 1.66   0.013% *  0.8562% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 1 structures by 0.35 A, kept.
 
    Peak 2934 (0.10, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.742, support = 3.26, residual support = 32.0:
          QG2   VAL   83 - HA    ALA   84   3.28 +/- 0.29  65.884% * 49.4455% (0.66   3.55  43.16) =  65.446%  kept
          QD1   ILE   89 - HA    ALA   84   3.86 +/- 1.03  34.091% * 50.4535% (0.89   2.70  10.75) =  34.554%  kept
          QD2   LEU   31 - HA    ALA   84  12.79 +/- 1.23   0.025% *  0.1010% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 2.8, residual support = 10.7:
          HG13  ILE   89 - HA    ALA   84   3.68 +/- 2.15 100.000% *100.0000% (0.55   2.80  10.75) = 100.000%  kept
    Distance limit 3.80 A violated in 7 structures by 0.91 A, kept.
 
    Peak 2936 (0.10, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.727, support = 3.73, residual support = 34.1:
          QG2   VAL   83 - QB    ALA   84   3.82 +/- 0.33  74.119% * 46.8060% (0.66  1.00   3.91  43.16) =  72.011%  kept
          QD1   ILE   89 - QB    ALA   84   4.77 +/- 0.78  25.767% * 52.3260% (0.89  1.00   3.26  10.75) =  27.987%  kept
        T QD2   LEU   31 - QB    ALA   84  11.74 +/- 1.01   0.114% *  0.8681% (0.24 10.00   0.02   0.02) =   0.002%
    Distance limit 3.81 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2937 (-0.06, 1.35, 18.25 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 3.24, residual support = 10.7:
          HG13  ILE   89 - QB    ALA   84   4.71 +/- 1.85 100.000% *100.0000% (0.55   3.24  10.75) = 100.000%  kept
    Distance limit 3.73 A violated in 8 structures by 1.23 A, kept.
 
    Peak 2938 (6.86, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 0.02, residual support = 0.02:
          QD    PHE   45 - QB    ALA   84   6.10 +/- 1.03  99.859% * 73.1356% (0.87   0.02   0.02) =  99.973%  kept
          HD2   HIS  122 - QB    ALA   84  20.13 +/- 1.63   0.101% * 14.2817% (0.17   0.02   0.02) =   0.020%
          HE22  GLN  116 - QB    ALA   84  23.66 +/- 1.44   0.040% * 12.5826% (0.15   0.02   0.02) =   0.007%
    Distance limit 3.95 A violated in 17 structures by 2.16 A, eliminated.
    Peak unassigned.
 
    Peak 2939 (6.64, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.643, support = 0.02, residual support = 0.02:
          HN    TRP   49 - QB    ALA   84   9.78 +/- 1.82  88.186% * 28.9138% (0.59   0.02   0.02) =  82.800%  kept
          HE22  GLN   30 - QB    ALA   84  15.20 +/- 1.25  11.152% * 46.0056% (0.93   0.02   0.02) =  16.660%  kept
          HD22  ASN   69 - QB    ALA   84  23.66 +/- 1.14   0.663% * 25.0806% (0.51   0.02   0.02) =   0.540%  kept
    Distance limit 4.16 A violated in 20 structures by 5.36 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   2.18 +/- 0.08  99.986% * 99.7822% (0.99  10.0   3.15  18.15) = 100.000%  kept
          HN    SER   85 - QB    SER   48  12.84 +/- 1.92   0.004% *  0.0243% (0.24   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   85  13.85 +/- 0.93   0.002% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   85  18.06 +/- 1.98   0.000% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   48  11.79 +/- 0.97   0.005% *  0.0055% (0.05   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER  117  13.15 +/- 1.46   0.003% *  0.0035% (0.03   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   85  20.41 +/- 1.71   0.000% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   48  22.94 +/- 1.41   0.000% *  0.0213% (0.21   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - QB    SER  117  24.21 +/- 1.51   0.000% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER  117  24.83 +/- 1.54   0.000% *  0.0135% (0.13   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   48  23.67 +/- 1.52   0.000% *  0.0043% (0.04   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER  117  22.98 +/- 1.64   0.000% *  0.0027% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2941 (8.30, 3.96, 63.04 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 3.33, residual support = 13.4:
          HN    ASP-  86 - QB    SER   85   3.00 +/- 0.14  99.900% * 97.6196% (0.87   3.33  13.42) = 100.000%  kept
          HN    GLU-  29 - QB    SER   85  15.52 +/- 1.31   0.006% *  0.6619% (0.98   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   85  16.53 +/- 1.38   0.004% *  0.5407% (0.80   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER   48  14.05 +/- 1.68   0.012% *  0.1428% (0.21   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER  117  10.62 +/- 0.98   0.062% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER   48  20.32 +/- 1.73   0.001% *  0.1614% (0.24   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   48  20.19 +/- 1.63   0.001% *  0.1318% (0.20   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   48  16.68 +/- 2.80   0.007% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   85  23.35 +/- 3.20   0.001% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   85  22.19 +/- 0.99   0.001% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER  117  23.42 +/- 1.64   0.001% *  0.0904% (0.13   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER  117  24.48 +/- 1.63   0.000% *  0.0834% (0.12   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   48  24.50 +/- 3.70   0.001% *  0.0367% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   85  27.75 +/- 2.01   0.000% *  0.1503% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER  117  26.21 +/- 1.67   0.000% *  0.1021% (0.15   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER  117  19.38 +/- 1.43   0.001% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   48  21.52 +/- 2.01   0.001% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER  117  25.80 +/- 1.30   0.000% *  0.0232% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2942 (8.67, 3.96, 63.04 ppm):
    6 chemical-shift based assignments, quality = 0.124, support = 2.79, residual support = 15.0:
      O   HN    SER  117 - QB    SER  117   2.23 +/- 0.16  99.999% * 98.5738% (0.12  10.0   2.79  15.05) = 100.000%  kept
          HN    SER  117 - QB    SER   85  25.57 +/- 1.10   0.000% *  0.6389% (0.80   1.0   0.02   0.02) =   0.000%
          HN    SER  117 - QB    SER   48  21.93 +/- 1.94   0.000% *  0.1558% (0.20   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   85  26.05 +/- 0.89   0.000% *  0.4517% (0.57   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   48  22.10 +/- 2.47   0.000% *  0.1101% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER  117  20.24 +/- 1.36   0.000% *  0.0697% (0.09   1.0   0.02   0.02) =   0.000%
    Distance limit 3.34 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   2.83 +/- 0.04  99.991% * 99.8725% (0.99  10.0   3.65  18.15) = 100.000%  kept
          HN    THR   94 - HA    SER   85  13.82 +/- 0.79   0.008% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    SER   85  20.85 +/- 1.99   0.001% *  0.0874% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   85  23.14 +/- 1.76   0.000% *  0.0176% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2944 (8.31, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.56, residual support = 41.6:
      O   HN    ASP-  86 - HB3   ASP-  86   2.98 +/- 0.59  99.949% * 99.6620% (0.95  10.0   3.56  41.59) = 100.000%  kept
          HN    GLN   30 - HB3   ASP-  86  14.27 +/- 1.95   0.019% *  0.1033% (0.98   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   ASP-  86  13.60 +/- 1.67   0.022% *  0.0596% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASP-  86  18.11 +/- 3.70   0.006% *  0.0472% (0.45   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASP-  86  21.43 +/- 4.40   0.003% *  0.0554% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASP-  86  27.35 +/- 2.87   0.000% *  0.0724% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2945 (8.32, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 4.98, residual support = 41.6:
      O   HN    ASP-  86 - HB2   ASP-  86   2.51 +/- 0.39  99.980% * 99.2641% (0.49  10.0   4.98  41.59) = 100.000%  kept
          HN    GLN   30 - HB2   ASP-  86  14.21 +/- 1.68   0.008% *  0.1155% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASP-  86  18.12 +/- 3.29   0.003% *  0.1883% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   ASP-  86  13.63 +/- 1.40   0.008% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASP-  86  21.14 +/- 4.04   0.000% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASP-  86  26.96 +/- 2.70   0.000% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2946 (7.73, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.402, support = 3.62, residual support = 22.5:
          HD1   TRP   87 - HB2   ASP-  86   3.23 +/- 0.33  92.695% * 36.6860% (0.38   3.60  22.48) =  88.539%  kept
          HE3   TRP   87 - HB2   ASP-  86   5.46 +/- 0.74   7.148% * 61.5683% (0.61   3.74  22.48) =  11.459%  kept
          HN    ALA   91 - HB2   ASP-  86  10.49 +/- 0.61   0.094% *  0.5130% (0.95   0.02   0.02) =   0.001%
          HN    TRP   27 - HB2   ASP-  86  11.50 +/- 1.28   0.059% *  0.5234% (0.97   0.02   0.02) =   0.001%
          HN    ALA   61 - HB2   ASP-  86  21.32 +/- 1.25   0.001% *  0.4864% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASP-  86  21.36 +/- 2.26   0.001% *  0.2230% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.04 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   2.25 +/- 0.50  99.431% * 98.2344% (0.22 10.00   2.25  10.83) =  99.999%  kept
          HB3   SER   82 - HB2   ASP-  86   5.78 +/- 0.70   0.563% *  0.1814% (0.41  1.00   0.02   0.02) =   0.001%
          HA    GLN   30 - HB2   ASP-  86  16.63 +/- 1.77   0.002% *  0.4258% (0.97  1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   ASP-  86  17.63 +/- 1.69   0.001% *  0.3957% (0.90  1.00   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   ASP-  86  19.77 +/- 1.98   0.001% *  0.4073% (0.92  1.00   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB2   ASP-  86  20.44 +/- 3.75   0.001% *  0.0873% (0.20  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   ASP-  86  20.40 +/- 2.14   0.001% *  0.0681% (0.15  1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   ASP-  86  22.96 +/- 1.71   0.000% *  0.1227% (0.28  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   ASP-  86  25.72 +/- 3.11   0.000% *  0.0773% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2948 (8.32, 4.30, 57.50 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 4.05, residual support = 41.6:
      O   HN    ASP-  86 - HA    ASP-  86   2.72 +/- 0.04  99.992% * 99.2641% (0.49  10.0   4.05  41.59) = 100.000%  kept
          HN    GLN   30 - HA    ASP-  86  16.22 +/- 1.85   0.003% *  0.1155% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    ASP-  86  19.80 +/- 3.50   0.001% *  0.1883% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    ASP-  86  15.33 +/- 1.62   0.004% *  0.0315% (0.15   1.0   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    ASP-  86  23.38 +/- 4.09   0.000% *  0.1968% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASP-  86  29.64 +/- 2.75   0.000% *  0.2039% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2949 (7.72, 4.34, 57.63 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.5, residual support = 74.0:
          HE3   TRP   87 - HA    TRP   87   3.26 +/- 0.36  96.943% * 98.5560% (0.99   3.50  74.00) =  99.984%  kept
          HN    ALA   91 - HA    TRP   87   9.04 +/- 1.30   3.043% *  0.4933% (0.87   0.02   0.02) =   0.016%
          HN    TRP   27 - HA    TRP   87  15.12 +/- 1.54   0.012% *  0.2992% (0.53   0.02   2.64) =   0.000%
          HN    ALA   61 - HA    TRP   87  21.74 +/- 1.46   0.001% *  0.5249% (0.92   0.02   0.02) =   0.000%
          HN    GLN   17 - HA    TRP   87  25.47 +/- 1.63   0.000% *  0.1266% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 1 structures by 0.24 A, kept.
 
    Peak 2950 (7.72, 3.41, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.19, residual support = 74.0:
      O   HE3   TRP   87 - HB2   TRP   87   2.55 +/- 0.24  99.749% * 99.7445% (0.99  10.0   3.19  74.00) = 100.000%  kept
          HN    ALA   91 - HB2   TRP   87   8.46 +/- 1.04   0.245% *  0.0873% (0.87   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   TRP   87  14.47 +/- 1.88   0.005% *  0.0529% (0.53   1.0   0.02   2.64) =   0.000%
          HN    ALA   61 - HB2   TRP   87  19.80 +/- 1.44   0.001% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HB2   TRP   87  23.75 +/- 1.84   0.000% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2951 (7.72, 2.50, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.19, residual support = 74.0:
      O   HE3   TRP   87 - HB3   TRP   87   3.95 +/- 0.37  96.375% * 99.7445% (0.99  10.0   3.19  74.00) =  99.997%  kept
          HN    ALA   91 - HB3   TRP   87   7.05 +/- 0.91   3.542% *  0.0873% (0.87   1.0   0.02   0.02) =   0.003%
          HN    TRP   27 - HB3   TRP   87  14.16 +/- 1.73   0.071% *  0.0529% (0.53   1.0   0.02   2.64) =   0.000%
          HN    ALA   61 - HB3   TRP   87  19.15 +/- 1.38   0.009% *  0.0929% (0.92   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HB3   TRP   87  23.33 +/- 1.69   0.003% *  0.0224% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 1 structures by 0.78 A, kept.
 
    Peak 2952 (0.08, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 0.903, support = 1.84, residual support = 16.3:
          QD1   ILE   89 - HB2   TRP   87   3.27 +/- 0.41  91.832% * 56.4757% (0.90   1.88  16.33) =  93.708%  kept
          QG2   VAL   83 - HB2   TRP   87   5.45 +/- 0.57   8.091% * 43.0385% (1.00   1.29  15.75) =   6.292%  kept
          QD2   LEU   31 - HB2   TRP   87  11.57 +/- 1.66   0.078% *  0.4858% (0.73   0.02   1.64) =   0.001%
    Distance limit 3.78 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 = 0.448, support = 3.42, residual support = 16.3:
        T QD1   ILE   89 - HB3   TRP   87   2.10 +/- 0.36  98.235% * 99.8495% (0.45 10.00   3.42  16.33) =  99.999%  kept
          QG2   VAL   83 - HB3   TRP   87   4.60 +/- 0.36   1.551% *  0.0496% (0.22  1.00   0.02  15.75) =   0.001%
          QG2   VAL   75 - HB3   TRP   87   7.64 +/- 2.06   0.211% *  0.0619% (0.28  1.00   0.02   0.02) =   0.000%
          QG2   VAL   42 - HB3   TRP   87  13.13 +/- 1.34   0.002% *  0.0390% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.228, support = 0.744, residual support = 16.2:
          HG12  ILE   89 - HB3   TRP   87   3.36 +/- 0.94  92.695% * 54.8868% (0.22   0.75  16.33) =  99.196%  kept
          QB    ALA   91 - HB3   TRP   87   6.83 +/- 1.41   7.102% *  5.7027% (0.87   0.02   0.02) =   0.790%  kept
          HG2   LYS+  74 - HB3   TRP   87  13.42 +/- 2.00   0.056% *  5.8960% (0.90   0.02   0.02) =   0.006%
          QG2   ILE   56 - HB3   TRP   87  12.99 +/- 1.90   0.100% *  2.7027% (0.41   0.02   0.02) =   0.005%
          QG2   THR   39 - HB3   TRP   87  18.45 +/- 1.46   0.006% *  5.7027% (0.87   0.02   0.02) =   0.001%
          QB    ALA   34 - HB3   TRP   87  15.30 +/- 1.62   0.018% *  1.6393% (0.25   0.02   0.02) =   0.001%
          HG    LEU   71 - HB3   TRP   87  19.35 +/- 2.18   0.005% *  5.7027% (0.87   0.02   0.02) =   0.001%
          HG13  ILE   19 - HB3   TRP   87  20.68 +/- 1.94   0.003% *  6.5596% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB3   TRP   87  21.19 +/- 2.41   0.003% *  6.0688% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB3   TRP   87  17.97 +/- 2.45   0.011% *  1.1513% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB3   TRP   87  24.68 +/- 2.56   0.001% *  3.9875% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2955 (7.84, 3.98, 52.68 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.63, residual support = 12.2:
      O   HN    ALA   88 - HA    ALA   88   2.25 +/- 0.12  99.999% * 99.0353% (0.38  10.0   1.63  12.20) = 100.000%  kept
          HN    ARG+  54 - HA    ALA   88  18.93 +/- 2.34   0.001% *  0.1449% (0.45   1.0   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ALA   88  20.32 +/- 2.06   0.000% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ALA   88  19.68 +/- 1.73   0.000% *  0.2804% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ALA   88  24.70 +/- 1.37   0.000% *  0.2589% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2956 (7.84, 1.31, 16.77 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 2.08, residual support = 12.2:
      O   HN    ALA   88 - QB    ALA   88   2.86 +/- 0.19  99.990% * 99.2112% (0.38  10.0   2.08  12.20) = 100.000%  kept
          HN    PHE   55 - QB    ALA   88  17.16 +/- 1.60   0.003% *  0.2293% (0.87   1.0   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA   88  17.23 +/- 1.44   0.003% *  0.2293% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ARG+  54 - QB    ALA   88  16.17 +/- 1.81   0.004% *  0.1185% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ASP-  62 - QB    ALA   88  21.00 +/- 1.20   0.001% *  0.2117% (0.80   1.0   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 218.2:
          QD1   ILE   89 - HA    ILE   89   2.48 +/- 0.56  99.317% * 99.6619% (0.92   5.98 218.16) =  99.998%  kept
          QG2   VAL   83 - HA    ILE   89   6.12 +/- 0.91   0.678% *  0.2481% (0.69   0.02   0.02) =   0.002%
          QD2   LEU   31 - HA    ILE   89  14.26 +/- 1.92   0.005% *  0.0901% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2958 (8.62, 3.87, 59.74 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 6.37, residual support = 40.7:
      O   HN    GLN   90 - HA    ILE   89   2.87 +/- 0.48  99.880% * 99.8365% (0.99  10.0   6.37  40.73) = 100.000%  kept
          HN    GLY  109 - HA    ILE   89  11.02 +/- 2.12   0.079% *  0.0280% (0.28   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ILE   89  11.36 +/- 0.73   0.038% *  0.0452% (0.45   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA    ILE   89  18.22 +/- 3.03   0.003% *  0.0903% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.20 A, kept.
 
    Peak 2959 (7.92, 3.87, 59.74 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 6.03, residual support = 218.2:
      O   HN    ILE   89 - HA    ILE   89   2.60 +/- 0.22  99.997% * 99.6601% (0.76  10.0   6.03 218.16) = 100.000%  kept
          HN    CYS   21 - HA    ILE   89  16.83 +/- 2.54   0.002% *  0.1170% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ILE   89  20.40 +/- 1.04   0.000% *  0.1234% (0.95   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE   89  26.51 +/- 2.27   0.000% *  0.0738% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE   89  22.94 +/- 2.28   0.000% *  0.0258% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2960 (7.73, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.937, support = 2.47, residual support = 7.92:
          HN    ALA   91 - HA    ILE   89   3.47 +/- 0.53  91.452% * 82.9839% (0.95   2.49   7.79) =  98.484%  kept
          HD1   TRP   87 - HA    ILE   89   5.45 +/- 0.83   7.772% * 14.9855% (0.38   1.13  16.33) =   1.511%  kept
          HE3   TRP   87 - HA    ILE   89   7.86 +/- 0.50   0.762% *  0.4277% (0.61   0.02  16.33) =   0.004%
          HN    TRP   27 - HA    ILE   89  16.43 +/- 2.12   0.009% *  0.6805% (0.97   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE   89  18.87 +/- 2.08   0.005% *  0.6324% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE   89  25.16 +/- 2.28   0.001% *  0.2899% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2961 (0.10, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.739, support = 5.31, residual support = 218.1:
      O T QD1   ILE   89 - HB    ILE   89   2.96 +/- 0.36  85.721% * 99.6065% (0.74  10.0 10.00   5.31 218.16) =  99.987%  kept
          QG2   VAL   83 - HB    ILE   89   4.68 +/- 1.18  11.026% *  0.0741% (0.55   1.0  1.00   0.02   0.02) =   0.010%
        T QD1   ILE   89 - HB    VAL   43   7.95 +/- 1.82   0.682% *  0.2175% (0.16   1.0 10.00   0.02   0.02) =   0.002%
        T QD2   LEU   31 - HB    VAL   43   6.03 +/- 0.85   1.794% *  0.0588% (0.04   1.0 10.00   0.02   0.02) =   0.001%
          QG2   VAL   83 - HB    VAL   43   6.95 +/- 1.53   0.764% *  0.0162% (0.12   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    ILE   89  13.54 +/- 1.60   0.012% *  0.0269% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2962 (-0.07, 1.74, 34.76 ppm):
    2 chemical-shift based assignments, quality = 0.785, support = 4.97, residual support = 218.2:
      O T HG13  ILE   89 - HB    ILE   89   2.53 +/- 0.26  99.968% * 99.7821% (0.78  10.0 10.00   4.97 218.16) = 100.000%  kept
        T HG13  ILE   89 - HB    VAL   43  10.53 +/- 1.71   0.032% *  0.2179% (0.17   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2963 (7.92, 1.74, 34.76 ppm):
    10 chemical-shift based assignments, quality = 0.612, support = 5.6, residual support = 218.2:
      O   HN    ILE   89 - HB    ILE   89   2.83 +/- 0.59  99.800% * 99.5645% (0.61  10.0   5.60 218.16) = 100.000%  kept
          HN    CYS   21 - HB    VAL   43  10.41 +/- 1.08   0.079% *  0.0255% (0.16   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    VAL   43  11.42 +/- 1.65   0.080% *  0.0217% (0.13   1.0   0.02   0.02) =   0.000%
          HN    CYS   21 - HB    ILE   89  15.31 +/- 2.29   0.010% *  0.1168% (0.72   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    VAL   43  15.10 +/- 0.93   0.008% *  0.0269% (0.17   1.0   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    ILE   89  21.03 +/- 1.48   0.001% *  0.1232% (0.76   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    VAL   43  13.23 +/- 0.82   0.016% *  0.0056% (0.03   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    VAL   43  15.76 +/- 0.68   0.005% *  0.0161% (0.10   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE   89  25.76 +/- 1.88   0.000% *  0.0738% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE   89  21.89 +/- 1.89   0.001% *  0.0258% (0.16   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2964 (5.61, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   ILE   89  11.15 +/- 1.84 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.49 A violated in 20 structures by 7.65 A, eliminated.
    Peak unassigned.
 
    Peak 2965 (7.75, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 0.835, residual support = 16.3:
          HD1   TRP   87 - QG2   ILE   89   4.20 +/- 0.22  99.738% * 92.9140% (0.95   0.83  16.33) =  99.997%  kept
          HN    TRP   27 - QG2   ILE   89  12.25 +/- 1.45   0.218% *  0.8028% (0.34   0.02   0.02) =   0.002%
          HN    LYS+ 102 - QG2   ILE   89  17.41 +/- 2.15   0.026% *  1.8845% (0.80   0.02   0.02) =   0.001%
          HN    THR   39 - QG2   ILE   89  19.89 +/- 1.45   0.010% *  2.1725% (0.92   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   ILE   89  20.58 +/- 1.42   0.008% *  2.2262% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 4 structures by 0.66 A, kept.
 
    Peak 2966 (8.63, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 7.23, residual support = 40.7:
          HN    GLN   90 - QG2   ILE   89   2.72 +/- 0.82  99.719% * 99.1867% (0.61   7.23  40.73) =  99.999%  kept
          HN    SER   82 - QG2   ILE   89   8.65 +/- 0.53   0.256% *  0.4177% (0.92   0.02   0.02) =   0.001%
          HN    ILE  103 - QG2   ILE   89  15.21 +/- 2.50   0.017% *  0.1860% (0.41   0.02   0.02) =   0.000%
          HN    SER  117 - QG2   ILE   89  16.65 +/- 1.12   0.006% *  0.0698% (0.15   0.02   0.02) =   0.000%
          HN    GLY   16 - QG2   ILE   89  19.57 +/- 1.79   0.001% *  0.1397% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2967 (3.06, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 0.75, residual support = 12.2:
        T HB2   PHE   45 - QG2   ILE   89   3.95 +/- 1.45  98.737% * 99.5807% (0.97 10.00   0.75  12.18) =  99.997%  kept
          QE    LYS+ 111 - QG2   ILE   89  12.63 +/- 1.64   0.847% *  0.2745% (1.00  1.00   0.02   0.02) =   0.002%
          HB2   CYS   21 - QG2   ILE   89  12.06 +/- 2.05   0.416% *  0.1448% (0.53  1.00   0.02   0.02) =   0.001%
    Distance limit 3.94 A violated in 4 structures by 0.47 A, kept.
 
    Peak 2968 (2.29, 0.63, 17.89 ppm):
    11 chemical-shift based assignments, quality = 0.182, support = 5.73, residual support = 38.7:
          QG    GLN   90 - QG2   ILE   89   4.13 +/- 0.56  73.174% * 78.5222% (0.15   6.02  40.73) =  95.024%  kept
          HG2   MET   92 - QG2   ILE   89   6.84 +/- 2.03  20.327% * 14.5516% (0.73   0.24   0.02) =   4.892%  kept
          HB2   GLU-  79 - QG2   ILE   89   8.74 +/- 1.92   4.123% *  0.9570% (0.57   0.02   0.02) =   0.065%
          HB2   ASP-  44 - QG2   ILE   89   8.69 +/- 1.92   1.461% *  0.4700% (0.28   0.02   0.02) =   0.011%
          HG2   PRO   52 - QG2   ILE   89   9.43 +/- 2.44   0.670% *  0.3763% (0.22   0.02   0.02) =   0.004%
          QG    GLU- 114 - QG2   ILE   89  11.93 +/- 1.51   0.162% *  1.0934% (0.65   0.02   0.02) =   0.003%
          HB3   PHE   72 - QG2   ILE   89  13.43 +/- 1.85   0.064% *  0.3345% (0.20   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   ILE   89  18.87 +/- 1.54   0.007% *  0.6344% (0.38   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE   89  19.01 +/- 2.00   0.007% *  0.4215% (0.25   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG2   ILE   89  23.04 +/- 1.34   0.002% *  1.2274% (0.73   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE   89  24.96 +/- 3.35   0.002% *  1.4118% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 2 structures by 0.27 A, kept.
 
    Peak 2969 (2.44, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 0.49, support = 0.747, residual support = 12.1:
        T HB3   PHE   45 - QG2   ILE   89   3.89 +/- 1.49  91.464% * 91.5971% (0.49 10.00   0.75  12.18) =  99.398%  kept
          HB3   ASP-  86 - QG2   ILE   89   7.28 +/- 0.95   7.261% *  6.9544% (1.00  1.00   0.28   0.02) =   0.599%  kept
          HG3   MET   96 - QG2   ILE   89   9.74 +/- 2.02   1.008% *  0.1712% (0.34  1.00   0.02   0.02) =   0.002%
          HB    VAL  107 - QG2   ILE   89  11.09 +/- 1.26   0.187% *  0.0774% (0.15  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QG2   ILE   89  13.95 +/- 1.48   0.049% *  0.2443% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QG2   ILE   89  16.47 +/- 1.54   0.017% *  0.3835% (0.76  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QG2   ILE   89  17.15 +/- 1.32   0.011% *  0.4843% (0.97  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - QG2   ILE   89  22.61 +/- 1.55   0.002% *  0.0879% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2970 (1.34, 0.63, 17.89 ppm):
    12 chemical-shift based assignments, quality = 0.436, support = 2.74, residual support = 10.1:
          QB    ALA   84 - QG2   ILE   89   4.04 +/- 0.78  72.201% * 21.8412% (0.49   1.61  10.75) =  66.918%  kept
          QB    ALA   88 - QG2   ILE   89   5.27 +/- 0.44  15.650% * 46.0686% (0.31   5.36   9.61) =  30.594%  kept
          HB3   ASP-  44 - QG2   ILE   89   8.25 +/- 1.82   1.892% * 16.0759% (0.87   0.67   0.02) =   1.291%  kept
          HB3   PRO   93 - QG2   ILE   89   7.51 +/- 1.13   1.919% * 12.3187% (0.45   0.99   0.02) =   1.003%  kept
          HB3   LEU   80 - QG2   ILE   89   7.14 +/- 1.77   8.127% *  0.5519% (0.99   0.02   0.02) =   0.190%
          HG2   LYS+ 111 - QG2   ILE   89  13.69 +/- 2.01   0.055% *  0.5373% (0.97   0.02   0.02) =   0.001%
          HG    LEU   98 - QG2   ILE   89  13.23 +/- 2.22   0.080% *  0.3377% (0.61   0.02   0.02) =   0.001%
          HB2   LEU   63 - QG2   ILE   89  14.40 +/- 1.86   0.035% *  0.5267% (0.95   0.02   0.02) =   0.001%
          HB2   LEU   31 - QG2   ILE   89  14.88 +/- 1.39   0.029% *  0.5519% (0.99   0.02   0.02) =   0.001%
          HG2   LYS+  99 - QG2   ILE   89  19.41 +/- 1.59   0.006% *  0.4255% (0.76   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   ILE   89  20.66 +/- 1.58   0.004% *  0.4043% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   ILE   89  22.27 +/- 1.41   0.002% *  0.3602% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 1 structures by 0.36 A, kept.
 
    Peak 2971 (-0.07, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.84, residual support = 218.2:
      O T HG13  ILE   89 - QG2   ILE   89   2.46 +/- 0.26 100.000% *100.0000% (0.98  10.0 10.00   5.84 218.16) = 100.000%  kept
    Distance limit 3.16 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 = 6.46, residual support = 218.0:
        T QD1   ILE   89 - QG2   ILE   89   2.19 +/- 0.58  91.790% * 99.2348% (0.92 10.00   6.47 218.16) =  99.934%  kept
        T QG2   VAL   83 - QG2   ILE   89   3.98 +/- 0.57   8.199% *  0.7384% (0.69 10.00   0.02   0.02) =   0.066%
          QD2   LEU   31 - QG2   ILE   89  10.99 +/- 1.19   0.011% *  0.0268% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2973 (0.10, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 5.58, residual support = 218.2:
      O T QD1   ILE   89 - HG12  ILE   89   2.14 +/- 0.02  95.514% * 99.4549% (0.92  10.0 10.00   5.58 218.16) =  99.997%  kept
          QG2   VAL   83 - HG12  ILE   89   4.54 +/- 1.49   4.470% *  0.0740% (0.69   1.0  1.00   0.02   0.02) =   0.003%
        T QD1   ILE   89 - HG3   LYS+  99  18.05 +/- 1.93   0.000% *  0.4033% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG3   LYS+  99   9.96 +/- 1.10   0.012% *  0.0109% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG12  ILE   89  13.06 +/- 2.02   0.003% *  0.0269% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   83 - HG3   LYS+  99  17.32 +/- 1.76   0.000% *  0.0300% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2974 (-0.07, 1.22, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.15, residual support = 218.2:
      O T HG13  ILE   89 - HG12  ILE   89   1.75 +/- 0.00 100.000% * 99.5961% (0.98  10.0 10.00   5.15 218.16) = 100.000%  kept
        T HG13  ILE   89 - HG3   LYS+  99  22.87 +/- 2.17   0.000% *  0.4039% (0.40   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2975 (0.08, -0.08, 26.04 ppm):
    3 chemical-shift based assignments, quality = 0.898, support = 5.24, residual support = 216.3:
      O T QD1   ILE   89 - HG13  ILE   89   2.14 +/- 0.02  88.718% * 93.4935% (0.90  10.0 10.00   5.27 218.16) =  99.133%  kept
          QG2   VAL   83 - HG13  ILE   89   4.19 +/- 1.72  11.279% *  6.4308% (1.00   1.0  1.00   1.23   0.02) =   0.867%  kept
          QD2   LEU   31 - HG13  ILE   89  12.81 +/- 2.06   0.003% *  0.0757% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2976 (0.64, -0.08, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.84, residual support = 218.2:
      O T QG2   ILE   89 - HG13  ILE   89   2.46 +/- 0.26  99.032% * 99.9734% (0.84  10.0 10.00   5.84 218.16) = 100.000%  kept
          QG1   VAL   83 - HG13  ILE   89   6.59 +/- 1.74   0.968% *  0.0266% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2977 (1.75, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 4.97, residual support = 218.2:
      O T HB    ILE   89 - HG13  ILE   89   2.53 +/- 0.26  99.941% * 98.8208% (0.49  10.0 10.00   4.97 218.16) = 100.000%  kept
        T HB    VAL   43 - HG13  ILE   89  10.53 +/- 1.71   0.032% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG13  ILE   89  10.41 +/- 1.75   0.026% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG13  ILE   89  21.25 +/- 2.34   0.001% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG13  ILE   89  21.41 +/- 1.82   0.000% *  0.0313% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2978 (7.92, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.55, residual support = 218.2:
          HN    ILE   89 - HG13  ILE   89   3.61 +/- 0.56  99.952% * 98.7857% (0.76   5.55 218.16) = 100.000%  kept
          HN    CYS   21 - HG13  ILE   89  14.71 +/- 3.11   0.036% *  0.4178% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HG13  ILE   89  20.31 +/- 2.10   0.007% *  0.4407% (0.95   0.02   0.02) =   0.000%
          HN    SER   37 - HG13  ILE   89  24.79 +/- 2.22   0.001% *  0.2637% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG13  ILE   89  21.01 +/- 2.60   0.003% *  0.0922% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2979 (7.92, 1.22, 26.04 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 5.79, residual support = 218.2:
          HN    ILE   89 - HG12  ILE   89   2.63 +/- 0.75  99.859% * 98.2352% (0.76   5.79 218.16) = 100.000%  kept
          HN    SER   37 - HG3   LYS+  99  10.07 +/- 1.12   0.102% *  0.1020% (0.23   0.02   0.02) =   0.000%
          HN    CYS   21 - HG12  ILE   89  15.54 +/- 2.84   0.011% *  0.3983% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HG12  ILE   89  20.73 +/- 1.90   0.002% *  0.4201% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG3   LYS+  99  13.24 +/- 1.10   0.018% *  0.0356% (0.08   0.02   0.02) =   0.000%
          HN    ILE  119 - HG3   LYS+  99  16.73 +/- 1.68   0.004% *  0.1704% (0.38   0.02   0.02) =   0.000%
          HN    CYS   21 - HG3   LYS+  99  19.02 +/- 1.28   0.002% *  0.1615% (0.36   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  23.61 +/- 2.26   0.001% *  0.1376% (0.31   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE   89  25.06 +/- 2.31   0.000% *  0.2514% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG12  ILE   89  21.32 +/- 2.53   0.001% *  0.0879% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2980 (-0.07, 0.09, 50.60 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.27, residual support = 218.2:
      O T HG13  ILE   89 - QD1   ILE   89   2.14 +/- 0.02 100.000% *100.0000% (0.98  10.0 10.00   5.27 218.16) = 100.000%  kept
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2981 (0.64, 0.09, 50.60 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.47, residual support = 218.2:
        T QG2   ILE   89 - QD1   ILE   89   2.19 +/- 0.58  99.465% * 99.7342% (0.84 10.00   6.47 218.16) =  99.999%  kept
        T QG1   VAL   83 - QD1   ILE   89   5.49 +/- 1.19   0.535% *  0.2658% (0.22 10.00   0.02   0.02) =   0.001%
    Distance limit 2.95 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2982 (1.22, 0.09, 50.60 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 5.58, residual support = 218.2:
      O T HG12  ILE   89 - QD1   ILE   89   2.14 +/- 0.02  99.948% * 99.2664% (1.00  10.0 10.00   5.58 218.16) = 100.000%  kept
          HG2   LYS+  74 - QD1   ILE   89  10.19 +/- 2.75   0.045% *  0.0484% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   89  13.98 +/- 2.19   0.003% *  0.0975% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD1   ILE   89  18.05 +/- 1.93   0.000% *  0.4460% (0.45   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD1   ILE   89  16.13 +/- 2.39   0.001% *  0.0523% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD1   ILE   89  15.34 +/- 2.18   0.001% *  0.0339% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   ILE   89  16.54 +/- 2.76   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD1   ILE   89  16.81 +/- 2.59   0.001% *  0.0277% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2983 (1.75, 0.09, 50.60 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 5.31, residual support = 218.1:
      O T HB    ILE   89 - QD1   ILE   89   2.96 +/- 0.36  99.067% * 98.8208% (0.49  10.0 10.00   5.31 218.16) =  99.992%  kept
        T HB    VAL   43 - QD1   ILE   89   7.95 +/- 1.82   0.801% *  0.9882% (0.49   1.0 10.00   0.02   0.02) =   0.008%
          QD    LYS+  81 - QD1   ILE   89   9.55 +/- 0.87   0.124% *  0.0835% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD1   ILE   89  16.68 +/- 1.99   0.004% *  0.0762% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   89  16.79 +/- 1.61   0.004% *  0.0313% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2984 (1.95, 0.09, 50.60 ppm):
    6 chemical-shift based assignments, quality = 0.525, support = 0.0199, residual support = 0.0199:
        T HB3   MET   96 - QD1   ILE   89   7.68 +/- 1.63  88.977% * 63.9859% (0.53 10.00   0.02   0.02) =  98.315%  kept
          HB3   ARG+  54 - QD1   ILE   89  14.71 +/- 1.66   5.181% * 10.5495% (0.87  1.00   0.02   0.02) =   0.944%  kept
          HB    VAL   18 - QD1   ILE   89  14.69 +/- 2.38   3.851% *  7.3765% (0.61  1.00   0.02   0.02) =   0.491%
          HB2   LEU   40 - QD1   ILE   89  16.69 +/- 1.72   0.970% * 10.9071% (0.90  1.00   0.02   0.02) =   0.183%
          HB2   LEU   67 - QD1   ILE   89  17.92 +/- 2.00   0.766% *  4.1485% (0.34  1.00   0.02   0.02) =   0.055%
          HB3   GLU-  14 - QD1   ILE   89  21.65 +/- 3.36   0.255% *  3.0326% (0.25  1.00   0.02   0.02) =   0.013%
    Distance limit 3.52 A violated in 20 structures by 4.05 A, eliminated.
    Peak unassigned.
 
    Peak 2985 (2.49, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.42, residual support = 16.3:
        T HB3   TRP   87 - QD1   ILE   89   2.10 +/- 0.36  99.947% * 99.8369% (0.76 10.00   3.42  16.33) = 100.000%  kept
          HG3   MET   96 - QD1   ILE   89   8.65 +/- 1.89   0.052% *  0.0177% (0.14  1.00   0.02   0.02) =   0.000%
          HG3   GLN  116 - QD1   ILE   89  18.81 +/- 1.11   0.000% *  0.1091% (0.84  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - QD1   ILE   89  21.46 +/- 2.27   0.000% *  0.0363% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2986 (3.90, 0.09, 50.60 ppm):
    2 chemical-shift based assignments, quality = 0.492, support = 0.02, residual support = 0.02:
          HA    PHE   60 - QD1   ILE   89  13.54 +/- 1.74  55.302% * 62.4025% (0.57   0.02   0.02) =  67.251%  kept
          HB    THR  118 - QD1   ILE   89  14.10 +/- 1.40  44.698% * 37.5975% (0.34   0.02   0.02) =  32.749%  kept
    Distance limit 2.90 A violated in 20 structures by 9.20 A, eliminated.
    Peak unassigned.
 
    Peak 2987 (6.84, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 2.86, residual support = 12.2:
          QD    PHE   45 - QD1   ILE   89   3.54 +/- 1.55  99.910% * 96.5238% (0.45   2.86  12.18) =  99.999%  kept
          HD2   HIS  122 - QD1   ILE   89  15.99 +/- 1.72   0.061% *  1.4899% (0.99   0.02   0.02) =   0.001%
          HE22  GLN  116 - QD1   ILE   89  19.86 +/- 1.26   0.022% *  1.4735% (0.98   0.02   0.02) =   0.000%
          HE22  GLN   17 - QD1   ILE   89  20.15 +/- 2.95   0.007% *  0.5128% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 5 structures by 0.56 A, kept.
 
    Peak 2988 (7.69, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.929, support = 2.22, residual support = 16.3:
          HN    TRP   87 - QD1   ILE   89   3.66 +/- 0.77  81.635% * 78.9158% (0.97   2.24  16.33) =  94.695%  kept
          HE3   TRP   87 - QD1   ILE   89   5.03 +/- 0.36  18.352% * 19.6635% (0.28   1.94  16.33) =   5.304%  kept
          HN    GLN   17 - QD1   ILE   89  18.84 +/- 2.30   0.008% *  0.7301% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - QD1   ILE   89  20.15 +/- 1.90   0.004% *  0.6906% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2989 (7.92, 0.09, 50.60 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.92, residual support = 218.2:
          HN    ILE   89 - QD1   ILE   89   2.45 +/- 0.61  99.944% * 98.8613% (0.76   5.92 218.16) = 100.000%  kept
          HN    CYS   21 - QD1   ILE   89  12.43 +/- 2.75   0.047% *  0.3917% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - QD1   ILE   89  16.29 +/- 1.27   0.005% *  0.4132% (0.95   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE   89  19.98 +/- 2.04   0.001% *  0.2473% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE   89  17.02 +/- 2.21   0.003% *  0.0864% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 6.03, residual support = 95.6:
          HN    GLN   90 - QG    GLN   90   2.52 +/- 0.55  99.987% * 99.2725% (0.69   6.03  95.63) = 100.000%  kept
          HN    GLY  109 - QG    GLN   90  12.69 +/- 1.49   0.012% *  0.3295% (0.69   0.02   0.02) =   0.000%
          HN    ILE  103 - QG    GLN   90  19.99 +/- 2.85   0.001% *  0.3980% (0.83   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2991 (8.62, 1.87, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.59, residual support = 95.6:
      O   HN    GLN   90 - HB3   GLN   90   3.42 +/- 0.43  99.884% * 99.8365% (0.83  10.0   5.59  95.63) = 100.000%  kept
          HN    SER   82 - HB3   GLN   90  12.26 +/- 1.35   0.064% *  0.0452% (0.37   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HB3   GLN   90  13.15 +/- 1.30   0.050% *  0.0280% (0.23   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLN   90  22.53 +/- 2.49   0.002% *  0.0903% (0.75   1.0   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2992 (8.04, 2.15, 31.73 ppm):
    8 chemical-shift based assignments, quality = 0.161, support = 4.02, residual support = 55.3:
      O   HN    GLU-  79 - HB3   GLU-  79   2.77 +/- 0.45  99.576% * 98.3257% (0.16  10.0   4.02  55.33) =  99.999%  kept
          HN    SER   85 - HB2   GLN   90   8.99 +/- 1.27   0.168% *  0.3734% (0.61   1.0   0.02   0.02) =   0.001%
          HN    THR   94 - HB3   GLU-  79  13.82 +/- 2.06   0.101% *  0.2429% (0.40   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   GLU-  79  10.46 +/- 0.93   0.079% *  0.2703% (0.44   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HB2   GLN   90  11.50 +/- 0.59   0.032% *  0.3357% (0.55   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HB2   GLN   90  11.52 +/- 1.59   0.042% *  0.1359% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  18.51 +/- 1.65   0.002% *  0.1327% (0.22   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  25.55 +/- 1.48   0.000% *  0.1834% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 4.3, residual support = 55.3:
      O T HA    GLU-  79 - HB3   GLU-  79   2.73 +/- 0.19  98.128% * 97.1719% (0.57  10.0 10.00   4.30  55.33) =  99.998%  kept
          HB    THR   77 - HB2   GLN   90   6.77 +/- 1.90   1.371% *  0.1097% (0.64   1.0  1.00   0.02   0.02) =   0.002%
          HA    SER   85 - HB2   GLN   90   7.98 +/- 1.05   0.235% *  0.1097% (0.64   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HB2   GLN   90  12.99 +/- 1.98   0.013% *  1.3427% (0.78   1.0 10.00   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  79   8.08 +/- 0.58   0.183% *  0.0794% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  14.26 +/- 3.42   0.029% *  0.1188% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  12.86 +/- 1.01   0.012% *  0.0794% (0.46   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  13.20 +/- 1.12   0.010% *  0.0720% (0.42   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  18.49 +/- 3.21   0.009% *  0.0776% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  14.80 +/- 1.15   0.005% *  0.0995% (0.58   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  18.44 +/- 2.82   0.002% *  0.0860% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  17.38 +/- 2.41   0.002% *  0.0561% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  22.40 +/- 2.06   0.000% *  0.1229% (0.72   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  22.71 +/- 2.26   0.000% *  0.0889% (0.52   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  26.93 +/- 5.25   0.000% *  0.0681% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  24.45 +/- 1.07   0.000% *  0.0938% (0.55   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  29.78 +/- 1.12   0.000% *  0.1296% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  38.03 +/- 4.83   0.000% *  0.0941% (0.55   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2994 (1.30, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.622, support = 0.761, residual support = 0.73:
          QB    ALA   88 - QG    GLN   90   4.24 +/- 0.80  59.207% * 93.2272% (0.62   0.78   0.75) =  97.543%  kept
          QG2   THR   77 - QG    GLN   90   5.16 +/- 2.00  40.724% *  3.4115% (0.88   0.02   0.02) =   2.455%  kept
          QG2   THR   23 - QG    GLN   90  12.53 +/- 1.71   0.067% *  1.3062% (0.34   0.02   0.02) =   0.002%
          HG2   LYS+  99 - QG    GLN   90  25.14 +/- 1.77   0.001% *  0.8678% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG    GLN   90  27.94 +/- 1.73   0.000% *  1.1872% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2995 (1.53, 2.27, 34.07 ppm):
    10 chemical-shift based assignments, quality = 0.358, support = 0.0198, residual support = 0.0198:
          QG    LYS+  81 - QG    GLN   90   7.81 +/- 1.75  88.412% *  3.4351% (0.18   0.02   0.02) =  70.598%  kept
          HD3   LYS+  74 - QG    GLN   90  14.66 +/- 2.02   3.128% * 17.3194% (0.89   0.02   0.02) =  12.592%  kept
          HB3   LYS+ 111 - QG    GLN   90  17.37 +/- 2.10   2.633% * 17.3580% (0.90   0.02   0.02) =  10.625%  kept
          HG2   LYS+ 106 - QG    GLN   90  15.96 +/- 2.66   4.534% *  2.6782% (0.14   0.02   0.02) =   2.823%  kept
          HG    LEU  104 - QG    GLN   90  21.76 +/- 2.54   0.395% * 17.0143% (0.88   0.02   0.02) =   1.564%  kept
          HB3   LYS+ 121 - QG    GLN   90  22.93 +/- 1.25   0.211% * 17.0143% (0.88   0.02   0.02) =   0.835%  kept
          QD    LYS+  66 - QG    GLN   90  23.84 +/- 1.84   0.150% *  9.8273% (0.51   0.02   0.02) =   0.344%
          HG2   LYS+  33 - QG    GLN   90  23.92 +/- 1.51   0.159% *  8.4490% (0.44   0.02   0.02) =   0.313%
          HD2   LYS+ 121 - QG    GLN   90  23.29 +/- 1.54   0.212% *  3.8645% (0.20   0.02   0.02) =   0.191%
          HG2   LYS+  65 - QG    GLN   90  23.82 +/- 2.39   0.165% *  3.0399% (0.16   0.02   0.02) =   0.116%
    Distance limit 3.68 A violated in 20 structures by 3.90 A, eliminated.
    Peak unassigned.
 
    Peak 2996 (2.26, 1.89, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 2.96, residual support = 64.2:
      O   HG3   MET   92 - HB2   MET   92   2.64 +/- 0.25  99.892% * 96.5136% (0.73  10.0  1.00   2.96  64.16) =  99.999%  kept
        T QG    GLN   90 - HB2   MET   92   8.99 +/- 1.16   0.084% *  1.0643% (0.80   1.0 10.00   0.02   0.02) =   0.001%
        T HB2   ASP- 105 - HB2   MET   92  15.69 +/- 0.63   0.003% *  0.4534% (0.34   1.0 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   MET   92  12.46 +/- 1.01   0.011% *  0.0806% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   MET   92  15.15 +/- 1.26   0.004% *  0.1326% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   MET   92  14.53 +/- 2.23   0.006% *  0.0233% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   MET   92  25.37 +/- 1.37   0.000% *  0.8598% (0.65   1.0 10.00   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   MET   92  24.55 +/- 1.48   0.000% *  0.6469% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   MET   92  18.17 +/- 1.05   0.001% *  0.0965% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   MET   92  25.66 +/- 1.32   0.000% *  0.1110% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   MET   92  27.68 +/- 0.66   0.000% *  0.0180% (0.14   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2997 (8.47, 1.89, 34.43 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.94, residual support = 64.2:
      O   HN    MET   92 - HB2   MET   92   2.25 +/- 0.39  99.903% * 99.7272% (0.92  10.0   3.94  64.16) = 100.000%  kept
          HN    THR   46 - HB2   MET   92   9.34 +/- 1.53   0.053% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB2   MET   92  11.50 +/- 2.00   0.043% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   MET   92  16.85 +/- 0.98   0.001% *  0.0865% (0.80   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   MET   92  37.45 +/- 3.71   0.000% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2998 (4.89, 1.89, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 3.87, residual support = 64.2:
      O T HA    MET   92 - HB2   MET   92   2.94 +/- 0.15  99.998% * 99.8006% (0.61  10.0 10.00   3.87  64.16) = 100.000%  kept
          HA    HIS  122 - HB2   MET   92  21.50 +/- 1.21   0.001% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HB2   MET   92  20.21 +/- 0.79   0.001% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2999 (2.26, 1.69, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 3.29, residual support = 64.2:
      O   HG3   MET   92 - HB3   MET   92   2.59 +/- 0.29  99.894% * 99.2141% (0.73  10.0   3.29  64.16) = 100.000%  kept
          QG    GLN   90 - HB3   MET   92   9.72 +/- 0.94   0.059% *  0.1094% (0.80   1.0   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   MET   92  11.58 +/- 1.05   0.021% *  0.0829% (0.61   1.0   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   MET   92  13.89 +/- 1.35   0.006% *  0.1363% (1.00   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   92  14.27 +/- 2.32   0.014% *  0.0239% (0.18   1.0   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   MET   92  17.16 +/- 1.21   0.002% *  0.0992% (0.73   1.0   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   MET   92  14.92 +/- 0.95   0.003% *  0.0466% (0.34   1.0   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   MET   92  24.49 +/- 1.70   0.000% *  0.0884% (0.65   1.0   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   MET   92  25.35 +/- 0.97   0.000% *  0.1141% (0.84   1.0   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   MET   92  23.60 +/- 1.46   0.000% *  0.0665% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   92  27.13 +/- 0.91   0.000% *  0.0185% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3000 (4.89, 1.69, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.22, residual support = 64.2:
      O T HA    MET   92 - HB3   MET   92   2.78 +/- 0.16  99.998% * 99.8006% (0.61  10.0 10.00   4.22  64.16) = 100.000%  kept
          HA    HIS  122 - HB3   MET   92  20.47 +/- 1.20   0.001% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HB3   MET   92  19.55 +/- 0.64   0.001% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3001 (4.89, 2.31, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 64.2:
      O T HA    MET   92 - HG2   MET   92   2.52 +/- 0.47  99.999% * 99.8006% (0.61  10.0 10.00   2.49  64.16) = 100.000%  kept
          HA    HIS  122 - HG2   MET   92  22.64 +/- 1.44   0.000% *  0.1318% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   41 - HG2   MET   92  21.41 +/- 0.68   0.000% *  0.0676% (0.41   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3002 (4.05, 1.26, 21.81 ppm):
    9 chemical-shift based assignments, quality = 0.298, support = 0.02, residual support = 2.74:
          HB2   SER   37 - QG2   THR   39   3.49 +/- 0.13  99.473% * 10.7941% (0.30   0.02   2.76) =  99.004%  kept
          HA1   GLY   16 - QG2   THR   39   9.73 +/- 1.51   0.426% * 21.7367% (0.60   0.02   0.02) =   0.854%  kept
          HA    LYS+  66 - QG2   THR   39  11.60 +/- 0.94   0.083% * 16.6488% (0.46   0.02   0.02) =   0.128%
          HA1   GLY   16 - QG2   THR   23  18.06 +/- 0.60   0.005% * 12.1974% (0.33   0.02   0.02) =   0.006%
          HB2   SER   37 - QG2   THR   23  17.74 +/- 0.53   0.006% *  6.0571% (0.17   0.02   0.02) =   0.003%
          HA1   GLY   16 - QB    ALA   91  21.77 +/- 1.04   0.002% * 10.2645% (0.28   0.02   0.02) =   0.002%
          HA    LYS+  66 - QG2   THR   23  21.75 +/- 0.89   0.002% *  9.3424% (0.26   0.02   0.02) =   0.002%
          HA    LYS+  66 - QB    ALA   91  21.73 +/- 1.14   0.002% *  7.8619% (0.22   0.02   0.02) =   0.001%
          HB2   SER   37 - QB    ALA   91  24.41 +/- 0.98   0.001% *  5.0972% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.14 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3003 (8.45, 1.69, 34.43 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.29, residual support = 64.2:
      O   HN    MET   92 - HB3   MET   92   3.41 +/- 0.24  99.218% * 99.8535% (0.92  10.0   4.29  64.16) =  99.999%  kept
          HN    THR   46 - HB3   MET   92   8.95 +/- 1.33   0.678% *  0.0827% (0.76   1.0   0.02   0.02) =   0.001%
          HN    ASP- 113 - HB3   MET   92  12.10 +/- 2.02   0.094% *  0.0270% (0.25   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   MET   92  16.15 +/- 0.94   0.010% *  0.0369% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 0.735, support = 0.0199, residual support = 0.0199:
          HA    THR   46 - HB3   MET   92   7.44 +/- 1.15  66.085% * 16.4223% (0.80   0.02   0.02) =  87.217%  kept
          HA    GLN   90 - HB3   MET   92   8.91 +/- 0.41  24.327% *  3.5917% (0.18   0.02   0.02) =   7.022%  kept
          HA    PHE   55 - HB3   MET   92  11.86 +/- 2.22   6.817% *  6.3300% (0.31   0.02   0.02) =   3.468%  kept
          HA    VAL   42 - HB3   MET   92  15.55 +/- 0.77   0.928% * 18.3930% (0.90   0.02   0.02) =   1.372%  kept
          HA    PRO   58 - HB3   MET   92  14.87 +/- 1.35   1.484% *  5.1139% (0.25   0.02   0.02) =   0.610%  kept
          HA    GLN   17 - HB3   MET   92  20.84 +/- 1.25   0.160% * 17.7900% (0.87   0.02   0.02) =   0.229%
          HA    LEU   40 - HB3   MET   92  21.93 +/- 0.81   0.116% *  3.1644% (0.15   0.02   0.02) =   0.029%
          HA    GLU-  15 - HB3   MET   92  24.97 +/- 1.18   0.052% *  5.7022% (0.28   0.02   0.02) =   0.024%
          HA    SER   37 - HB3   MET   92  30.58 +/- 0.77   0.015% * 17.7900% (0.87   0.02   0.02) =   0.022%
          HA    SER   13 - HB3   MET   92  30.70 +/- 2.15   0.016% *  5.7022% (0.28   0.02   0.02) =   0.008%
    Distance limit 4.15 A violated in 20 structures by 2.71 A, eliminated.
    Peak unassigned.
 
    Peak 3005 (4.91, 2.24, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 64.2:
      O T HA    MET   92 - HG3   MET   92   3.21 +/- 0.60  99.984% * 99.9198% (0.99  10.0 10.00   3.97  64.16) = 100.000%  kept
          HA    LYS+  74 - HG3   MET   92  14.93 +/- 0.93   0.014% *  0.0491% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HG3   MET   92  22.29 +/- 1.58   0.002% *  0.0311% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3006 (8.45, 2.24, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.04, residual support = 64.2:
          HN    MET   92 - HG3   MET   92   3.95 +/- 0.51  99.263% * 99.2793% (0.92   4.04  64.16) =  99.998%  kept
          HN    THR   46 - HG3   MET   92  10.22 +/- 1.18   0.460% *  0.4066% (0.76   0.02   0.02) =   0.002%
          HN    ASP- 113 - HG3   MET   92  12.69 +/- 2.84   0.260% *  0.1327% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  74 - HG3   MET   92  17.67 +/- 1.03   0.017% *  0.1815% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3007 (6.88, 2.06, 34.10 ppm):
    4 chemical-shift based assignments, quality = 0.409, support = 0.0199, residual support = 0.0199:
          QD    PHE   45 - HB2   PRO   93   6.38 +/- 1.24  96.693% * 67.4545% (0.41   0.02   0.02) =  99.389%  kept
          HN    LYS+  65 - HB2   PRO   93  14.85 +/- 1.70   1.187% * 25.3164% (0.15   0.02   0.02) =   0.458%
          QD    PHE   45 - HG3   GLN   30  13.52 +/- 1.11   1.787% *  5.2564% (0.03   0.02   0.02) =   0.143%
          HN    LYS+  65 - HG3   GLN   30  17.57 +/- 1.57   0.334% *  1.9728% (0.01   0.02   0.02) =   0.010%
    Distance limit 4.25 A violated in 17 structures by 2.17 A, eliminated.
    Peak unassigned.
 
    Peak 3008 (8.03, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.4, residual support = 15.6:
      O   HN    THR   94 - HB2   PRO   93   3.95 +/- 0.12  98.597% * 99.8806% (1.00  10.0   4.40  15.60) =  99.999%  kept
          HN    GLU-  79 - HB2   PRO   93  12.42 +/- 3.00   1.321% *  0.0727% (0.73   1.0   0.02   0.02) =   0.001%
          HN    SER   85 - HB2   PRO   93  15.33 +/- 1.72   0.042% *  0.0309% (0.31   1.0   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG3   GLN   30  16.76 +/- 1.19   0.019% *  0.0057% (0.06   1.0   0.02   0.02) =   0.000%
          HN    THR   94 - HG3   GLN   30  18.21 +/- 1.27   0.011% *  0.0078% (0.08   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HG3   GLN   30  18.98 +/- 1.35   0.009% *  0.0024% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3009 (6.88, 1.81, 24.81 ppm):
    2 chemical-shift based assignments, quality = 0.409, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HG2   PRO   93   8.02 +/- 1.04  97.837% * 72.7108% (0.41   0.02   0.02) =  99.177%  kept
          HN    LYS+  65 - HG2   PRO   93  15.92 +/- 1.54   2.163% * 27.2892% (0.15   0.02   0.02) =   0.823%  kept
    Distance limit 4.09 A violated in 19 structures by 3.90 A, eliminated.
    Peak unassigned.
 
    Peak 3010 (2.05, 1.68, 24.81 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 5.3, residual support = 132.4:
      O   HB2   PRO   93 - HG3   PRO   93   2.50 +/- 0.27  99.839% * 98.6893% (0.84  10.0  1.00   5.30 132.37) = 100.000%  kept
          HB2   ARG+  54 - HG3   PRO   93   8.88 +/- 2.97   0.106% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   PRO   93  10.15 +/- 1.36   0.046% *  0.1179% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   93  14.51 +/- 1.89   0.008% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   PRO   93  22.17 +/- 2.01   0.000% *  0.7166% (0.61   1.0 10.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   93  20.81 +/- 1.65   0.000% *  0.1060% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   PRO   93  22.76 +/- 1.75   0.000% *  0.0295% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   93  27.11 +/- 0.80   0.000% *  0.0987% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HG3   PRO   93  33.57 +/- 3.28   0.000% *  0.0182% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3011 (1.82, 1.68, 24.81 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 132.4:
      O T HG2   PRO   93 - HG3   PRO   93   1.75 +/- 0.00  95.393% * 96.9677% (0.99  10.0 10.00   3.97 132.37) =  99.998%  kept
          HB3   PRO   52 - HG3   PRO   93   6.07 +/- 4.24   4.606% *  0.0367% (0.38   1.0  1.00   0.02   0.34) =   0.002%
        T QB    LYS+  65 - HG3   PRO   93  15.58 +/- 1.43   0.000% *  0.7477% (0.76   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   PRO   93  18.87 +/- 0.94   0.000% *  0.7834% (0.80   1.0 10.00   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   PRO   93  21.28 +/- 0.79   0.000% *  0.8486% (0.87   1.0 10.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   93  16.29 +/- 2.02   0.000% *  0.0925% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   PRO   93  20.41 +/- 2.35   0.000% *  0.3672% (0.38   1.0 10.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   93  18.48 +/- 1.37   0.000% *  0.0633% (0.65   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   PRO   93  19.28 +/- 1.13   0.000% *  0.0710% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   PRO   93  19.31 +/- 1.36   0.000% *  0.0218% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3012 (1.69, 1.81, 24.81 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.97, residual support = 132.3:
      O T HG3   PRO   93 - HG2   PRO   93   1.75 +/- 0.00  97.239% * 97.0769% (0.95  10.0 10.00   3.97 132.37) =  99.977%  kept
        T HD2   LYS+ 111 - HG2   PRO   93   9.84 +/- 3.06   2.104% *  1.0059% (0.98   1.0 10.00   0.02   0.02) =   0.022%
          HB3   MET   92 - HG2   PRO   93   4.07 +/- 0.23   0.654% *  0.0947% (0.92   1.0  1.00   0.02   1.69) =   0.001%
          QD    LYS+ 106 - HG2   PRO   93  11.93 +/- 1.41   0.001% *  0.0622% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   PRO   93  16.54 +/- 1.67   0.000% *  0.2285% (0.22   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   PRO   93  15.25 +/- 2.61   0.001% *  0.0285% (0.28   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   PRO   93  21.21 +/- 1.76   0.000% *  0.8217% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   PRO   93  15.74 +/- 1.61   0.000% *  0.0822% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   PRO   93  19.79 +/- 2.14   0.000% *  0.0990% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   PRO   93  15.99 +/- 2.00   0.000% *  0.0203% (0.20   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   PRO   93  25.59 +/- 1.28   0.000% *  0.4219% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   PRO   93  20.59 +/- 0.85   0.000% *  0.0581% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3013 (3.33, 1.68, 24.81 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.97, residual support = 132.3:
      O   HD3   PRO   93 - HG3   PRO   93   2.39 +/- 0.22  75.431% * 99.5358% (0.97  10.0   3.97 132.37) =  99.971%  kept
          HB3   CYS   53 - HG3   PRO   93   4.79 +/- 2.98  21.297% *  0.0861% (0.84   1.0   0.02   0.02) =   0.024%
          QB    PHE   55 - HG3   PRO   93   6.66 +/- 3.35   1.792% *  0.1029% (1.00   1.0   0.02   0.02) =   0.002%
          HB2   PHE   59 - HG3   PRO   93   8.89 +/- 2.63   1.392% *  0.0952% (0.92   1.0   0.02   0.02) =   0.002%
          HD2   ARG+  54 - HG3   PRO   93   9.84 +/- 2.93   0.087% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   PRO   93  20.79 +/- 1.51   0.000% *  0.1011% (0.98   1.0   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3014 (3.59, 1.68, 24.81 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.97, residual support = 132.4:
      O   HD2   PRO   93 - HG3   PRO   93   2.78 +/- 0.20  95.878% * 99.4436% (0.25  10.0   3.97 132.37) =  99.984%  kept
          HA    THR   77 - HG3   PRO   93  11.48 +/- 2.77   4.120% *  0.3681% (0.92   1.0   0.02   0.02) =   0.016%
          HB2   TRP   27 - HG3   PRO   93  18.34 +/- 1.71   0.001% *  0.0994% (0.25   1.0   0.02   0.02) =   0.000%
          HA    LEU   31 - HG3   PRO   93  22.12 +/- 1.37   0.000% *  0.0888% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.71 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  15.98 +/- 1.65 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.13 A violated in 20 structures by 11.85 A, eliminated.
    Peak unassigned.
 
    Peak 3018 (8.75, 3.58, 50.24 ppm):
    4 chemical-shift based assignments, quality = 0.706, support = 1.93, residual support = 4.94:
          HN    ALA  110 - HD2   PRO   93   5.23 +/- 2.92  81.888% * 77.5875% (0.71   2.00   5.22) =  94.588%  kept
          HN    PHE   45 - HD2   PRO   93   8.19 +/- 0.65  16.402% * 22.1517% (0.61   0.67   0.02) =   5.409%  kept
          HN    ASP-  44 - HD2   PRO   93  12.05 +/- 0.77   1.632% *  0.1221% (0.11   0.02   0.02) =   0.003%
          HN    GLU-  25 - HD2   PRO   93  21.09 +/- 1.71   0.077% *  0.1386% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 4 structures by 0.69 A, kept.
 
    Peak 3019 (4.60, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.379, support = 0.0199, residual support = 0.0199:
          HA1   GLY  109 - HD2   PRO   93   6.96 +/- 2.19  58.558% * 14.0670% (0.38   0.02   0.02) =  59.254%  kept
          HA    CYS   50 - HD2   PRO   93   7.92 +/- 2.33  35.963% * 13.0143% (0.35   0.02   0.02) =  33.667%  kept
          HA    TRP   49 - HD2   PRO   93  11.39 +/- 1.80   5.114% * 18.3659% (0.50   0.02   0.02) =   6.757%  kept
          HA    CYS   21 - HD2   PRO   93  20.45 +/- 1.20   0.092% * 23.1925% (0.63   0.02   0.02) =   0.153%
          HA    LYS+ 102 - HD2   PRO   93  22.12 +/- 0.87   0.049% * 26.6778% (0.72   0.02   0.02) =   0.094%
          HA    ALA   20 - HD2   PRO   93  17.70 +/- 1.21   0.224% *  4.6825% (0.13   0.02   0.02) =   0.076%
    Distance limit 4.15 A violated in 17 structures by 1.70 A, eliminated.
    Peak unassigned.
 
    Peak 3020 (1.43, 3.58, 50.24 ppm):
    13 chemical-shift based assignments, quality = 0.686, support = 2.0, residual support = 5.22:
          QB    ALA  110 - HD2   PRO   93   4.41 +/- 3.09  84.488% * 92.9394% (0.69   2.00   5.22) =  99.933%  kept
          HB3   LEU  115 - HD2   PRO   93   9.16 +/- 1.58   9.903% *  0.1721% (0.13   0.02   0.02) =   0.022%
          QB    ALA   61 - HD2   PRO   93  12.42 +/- 1.21   1.268% *  0.9803% (0.72   0.02   0.02) =   0.016%
          HB2   LEU   80 - HD2   PRO   93  15.76 +/- 2.57   2.138% *  0.4782% (0.35   0.02   0.02) =   0.013%
          HG    LEU   80 - HD2   PRO   93  16.80 +/- 2.52   0.627% *  0.9482% (0.70   0.02   0.02) =   0.008%
          HB3   LYS+  74 - HD2   PRO   93  14.59 +/- 1.45   0.800% *  0.3032% (0.22   0.02   0.02) =   0.003%
          HG    LEU   73 - HD2   PRO   93  17.29 +/- 1.09   0.278% *  0.5959% (0.44   0.02   0.02) =   0.002%
          QG    LYS+  66 - HD2   PRO   93  17.68 +/- 1.61   0.127% *  0.7867% (0.58   0.02   0.02) =   0.001%
          HB3   LEU   67 - HD2   PRO   93  20.91 +/- 2.20   0.059% *  0.9294% (0.69   0.02   0.02) =   0.001%
          HG12  ILE   19 - HD2   PRO   93  21.48 +/- 1.34   0.059% *  0.8811% (0.65   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HD2   PRO   93  17.95 +/- 2.03   0.123% *  0.3351% (0.25   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HD2   PRO   93  23.89 +/- 2.05   0.046% *  0.4782% (0.35   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   PRO   93  19.65 +/- 1.14   0.083% *  0.1721% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 4 structures by 1.37 A, kept.
 
    Peak 3021 (1.42, 3.34, 50.24 ppm):
    24 chemical-shift based assignments, quality = 0.638, support = 1.22, residual support = 7.38:
          QB    ALA  110 - HD3   PRO   93   5.32 +/- 3.23  49.598% * 57.1898% (0.78   0.75   5.22) =  80.145%  kept
          HB3   LEU   67 - HD3   PRO   68   4.60 +/- 0.20  24.312% * 26.0077% (0.08   3.42  17.89) =  17.866%  kept
          QG    LYS+  66 - HD3   PRO   68   5.12 +/- 0.95  25.170% *  2.7757% (0.05   0.57   0.02) =   1.974%  kept
          HB2   LEU   80 - HD3   PRO   93  14.87 +/- 2.60   0.087% *  1.6631% (0.85   0.02   0.02) =   0.004%
          QB    ALA   61 - HD3   PRO   93  12.35 +/- 1.45   0.107% *  1.1373% (0.58   0.02   0.02) =   0.003%
          QB    ALA   61 - HD3   PRO   68   9.79 +/- 0.78   0.304% *  0.2024% (0.10   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HD3   PRO   93  13.91 +/- 1.41   0.041% *  1.4078% (0.72   0.02   0.02) =   0.002%
          HG    LEU   80 - HD3   PRO   93  15.95 +/- 2.57   0.030% *  1.4685% (0.75   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HD3   PRO   68  14.56 +/- 3.38   0.127% *  0.2614% (0.13   0.02   0.02) =   0.001%
          HG12  ILE   19 - HD3   PRO   68  13.01 +/- 1.56   0.068% *  0.2888% (0.15   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HD3   PRO   93  19.29 +/- 2.03   0.006% *  1.4685% (0.75   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   93  17.65 +/- 0.66   0.008% *  0.9250% (0.47   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   68  14.31 +/- 0.88   0.029% *  0.1646% (0.08   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD3   PRO   93  21.13 +/- 1.24   0.003% *  1.6230% (0.83   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD3   PRO   93  18.17 +/- 1.73   0.008% *  0.5426% (0.28   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   PRO   68  16.73 +/- 0.98   0.012% *  0.2505% (0.13   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   93  17.23 +/- 1.05   0.010% *  0.3079% (0.16   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   68  15.26 +/- 2.12   0.034% *  0.0870% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD3   PRO   93  21.28 +/- 2.06   0.003% *  0.8558% (0.44   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   68  14.04 +/- 1.23   0.035% *  0.0548% (0.03   0.02   0.02) =   0.000%
          QB    ALA  110 - HD3   PRO   68  19.05 +/- 1.91   0.005% *  0.2714% (0.14   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   93  25.98 +/- 2.77   0.001% *  0.4888% (0.25   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   PRO   68  24.44 +/- 1.55   0.001% *  0.2960% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HD3   PRO   68  24.32 +/- 2.11   0.001% *  0.2614% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3022 (0.65, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.285, support = 2.0, residual support = 3.49:
          QG2   ILE   89 - HB    THR   94   5.18 +/- 1.61 100.000% *100.0000% (0.28   2.00   3.49) = 100.000%  kept
    Distance limit 3.28 A violated in 11 structures by 1.90 A, kept.
 
    Peak 3023 (0.10, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.77, support = 0.745, residual support = 3.47:
          QD1   ILE   89 - HB    THR   94   5.65 +/- 1.15  74.535% * 97.3666% (0.77   0.75   3.49) =  99.348%  kept
          QG2   VAL   83 - HB    THR   94   7.58 +/- 1.86  24.209% *  1.9321% (0.57   0.02   0.02) =   0.640%  kept
          QD2   LEU   31 - HB    THR   94  12.15 +/- 0.78   1.256% *  0.7014% (0.21   0.02   0.02) =   0.012%
    Distance limit 3.61 A violated in 14 structures by 1.71 A, kept.
 
    Peak 3024 (3.06, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 2.96, residual support = 27.1:
        T HB2   PHE   45 - HB    THR   94   4.22 +/- 1.38  98.922% * 99.8423% (0.81 10.00   2.96  27.12) =  99.999%  kept
          QE    LYS+ 111 - HB    THR   94  11.91 +/- 1.50   0.879% *  0.1032% (0.83  1.00   0.02   0.02) =   0.001%
          HB2   CYS   21 - HB    THR   94  14.95 +/- 1.99   0.199% *  0.0544% (0.44  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 9 structures by 1.00 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  13.13 +/- 0.79 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.94 A violated in 20 structures by 10.19 A, eliminated.
    Peak unassigned.
 
    Peak 3026 (8.03, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.833, support = 3.08, residual support = 25.3:
      O   HN    THR   94 - HB    THR   94   2.61 +/- 0.17  99.978% * 99.8964% (0.83  10.0   3.08  25.30) = 100.000%  kept
          HN    GLU-  79 - HB    THR   94  13.42 +/- 1.82   0.009% *  0.0727% (0.61   1.0   0.02   0.02) =   0.000%
          HN    SER   85 - HB    THR   94  12.76 +/- 1.54   0.013% *  0.0309% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 0.805, support = 3.28, residual support = 26.9:
          HN    PHE   45 - HB    THR   94   4.35 +/- 0.68  94.007% * 89.5396% (0.81   3.30  27.12) =  99.261%  kept
          HN    ALA  110 - HB    THR   94   7.90 +/- 1.97   5.993% * 10.4604% (0.67   0.46   0.02) =   0.739%  kept
    Distance limit 4.16 A violated in 3 structures by 0.34 A, kept.
 
    Peak 3028 (5.61, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.653, residual support = 0.938:
          HA    LYS+ 106 - QG2   THR   94   4.53 +/- 0.79 100.000% *100.0000% (0.41   0.65   0.94) = 100.000%  kept
    Distance limit 3.44 A violated in 13 structures by 1.15 A, kept.
 
    Peak 3030 (9.88, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.21, residual support = 14.6:
          HN    PHE   95 - QG2   THR   94   2.23 +/- 0.42 100.000% *100.0000% (0.97   4.21  14.60) = 100.000%  kept
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3031 (4.33, 5.96, 55.53 ppm):
    6 chemical-shift based assignments, quality = 0.598, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HA    PHE   95  12.02 +/- 0.80  19.980% * 27.7167% (0.84   0.02   0.02) =  37.522%  kept
          HA    PHE   59 - HA    PHE   95   9.89 +/- 1.03  61.193% *  8.2742% (0.25   0.02   0.02) =  34.308%  kept
          HA    TRP   87 - HA    PHE   95  13.04 +/- 1.21  13.913% * 25.3593% (0.76   0.02   0.02) =  23.906%  kept
          HA    ASP-  86 - HA    PHE   95  15.88 +/- 1.41   3.829% * 12.4539% (0.38   0.02   0.02) =   3.231%  kept
          HA    GLU-  14 - HA    PHE   95  20.61 +/- 1.32   0.830% * 14.8769% (0.45   0.02   0.02) =   0.836%  kept
          HA    ALA   12 - HA    PHE   95  25.68 +/- 2.55   0.257% * 11.3190% (0.34   0.02   0.02) =   0.197%
    Distance limit 3.47 A violated in 20 structures by 5.57 A, eliminated.
    Peak unassigned.
 
    Peak 3032 (7.03, 5.96, 55.53 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.44, residual support = 73.5:
          QD    PHE   95 - HA    PHE   95   2.66 +/- 0.37  99.963% * 99.8140% (0.87   3.44  73.53) = 100.000%  kept
          HN    ALA   47 - HA    PHE   95  10.66 +/- 1.11   0.037% *  0.1860% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3033 (9.33, 5.96, 55.53 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 12.0:
      O   HN    MET   96 - HA    PHE   95   2.21 +/- 0.04  99.993% * 99.9753% (0.80  10.0   4.00  11.99) = 100.000%  kept
          HN    PHE   72 - HA    PHE   95  11.09 +/- 0.67   0.007% *  0.0247% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3034 (9.89, 5.96, 55.53 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.33, residual support = 73.5:
      O   HN    PHE   95 - HA    PHE   95   2.93 +/- 0.01 100.000% *100.0000% (0.53  10.0   4.33  73.53) = 100.000%  kept
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3035 (7.03, 3.20, 40.96 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 73.5:
      O   QD    PHE   95 - HB2   PHE   95   2.38 +/- 0.14  99.988% * 99.9680% (0.87  10.0   3.00  73.53) = 100.000%  kept
          HN    ALA   47 - HB2   PHE   95  12.12 +/- 1.27   0.012% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3036 (7.03, 2.54, 40.96 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.31, residual support = 73.5:
      O   QD    PHE   95 - HB3   PHE   95   2.50 +/- 0.14  99.985% * 99.9680% (0.87  10.0   3.31  73.53) = 100.000%  kept
          HN    ALA   47 - HB3   PHE   95  12.24 +/- 1.67   0.015% *  0.0320% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3037 (9.89, 2.54, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.2, residual support = 73.5:
      O   HN    PHE   95 - HB3   PHE   95   3.42 +/- 0.48 100.000% *100.0000% (0.53  10.0   4.20  73.53) = 100.000%  kept
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3038 (9.89, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 3.86, residual support = 73.5:
      O   HN    PHE   95 - HB2   PHE   95   2.49 +/- 0.30 100.000% *100.0000% (0.53  10.0   3.86  73.53) = 100.000%  kept
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3039 (1.14, 2.54, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 1.73, residual support = 45.5:
          QG2   VAL  107 - HB3   PHE   95   4.63 +/- 0.89  87.498% * 95.9729% (0.84   1.73  45.52) =  99.910%  kept
          HG13  ILE  119 - HB3   PHE   95   7.94 +/- 1.40   8.710% *  0.5448% (0.41   0.02   0.02) =   0.056%
          HG2   LYS+ 121 - HB3   PHE   95  11.45 +/- 1.62   0.963% *  1.2990% (0.98   0.02   0.02) =   0.015%
          HG13  ILE  103 - HB3   PHE   95   9.44 +/- 1.07   2.486% *  0.4974% (0.38   0.02   0.02) =   0.015%
          QB    ALA   20 - HB3   PHE   95  13.44 +/- 1.12   0.254% *  1.1885% (0.90   0.02   0.02) =   0.004%
          HB3   LEU   31 - HB3   PHE   95  15.61 +/- 0.98   0.089% *  0.4974% (0.38   0.02   0.02) =   0.001%
    Distance limit 3.88 A violated in 12 structures by 0.93 A, kept.
 
    Peak 3040 (0.60, 2.54, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.571, support = 0.936, residual support = 3.78:
          QD1   LEU   63 - HB3   PHE   95   3.92 +/- 1.54  91.709% * 75.3970% (0.57   0.95   3.79) =  98.460%  kept
          QD2   LEU  115 - HB3   PHE   95   7.39 +/- 1.14   6.969% * 15.1455% (0.90   0.12   3.07) =   1.503%  kept
          QD1   LEU  104 - HB3   PHE   95   9.30 +/- 1.03   0.571% *  2.8066% (1.00   0.02   0.02) =   0.023%
          QD1   LEU   73 - HB3   PHE   95   9.95 +/- 0.83   0.290% *  1.5890% (0.57   0.02   0.02) =   0.007%
          QG1   VAL   83 - HB3   PHE   95  12.25 +/- 1.54   0.104% *  2.0380% (0.73   0.02   0.02) =   0.003%
          QD2   LEU   80 - HB3   PHE   95  13.17 +/- 2.10   0.075% *  2.5908% (0.92   0.02   0.02) =   0.003%
          QG2   ILE   89 - HB3   PHE   95  10.33 +/- 1.38   0.283% *  0.4330% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.65 A violated in 1 structures by 0.11 A, kept.
 
    Peak 3041 (0.38, 2.54, 40.96 ppm):
    4 chemical-shift based assignments, quality = 0.645, support = 0.744, residual support = 1.44:
          QG1   VAL   42 - HB3   PHE   95   4.53 +/- 0.88  90.704% * 77.1344% (0.65   0.75   1.45) =  98.911%  kept
          QB    ALA   64 - HB3   PHE   95   8.49 +/- 1.00   3.498% * 19.4542% (0.53   0.23   0.02) =   0.962%  kept
          QB    ALA   47 - HB3   PHE   95  11.57 +/- 1.43   2.286% *  2.4300% (0.76   0.02   0.02) =   0.079%
          HG2   LYS+ 112 - HB3   PHE   95  12.24 +/- 2.29   3.512% *  0.9814% (0.31   0.02   0.02) =   0.049%
    Distance limit 3.66 A violated in 7 structures by 0.84 A, kept.
 
    Peak 3042 (1.13, 3.20, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 3.59, residual support = 45.5:
          QG2   VAL  107 - HB2   PHE   95   3.61 +/- 0.56  97.862% * 94.2639% (0.34   3.59  45.52) =  99.971%  kept
          HG13  ILE  119 - HB2   PHE   95   7.83 +/- 1.15   1.750% *  1.3794% (0.90   0.02   0.02) =   0.026%
          HG2   LYS+ 121 - HB2   PHE   95  11.35 +/- 1.46   0.179% *  0.8708% (0.57   0.02   0.02) =   0.002%
          QB    ALA   20 - HB2   PHE   95  14.31 +/- 1.00   0.038% *  1.4198% (0.92   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HB2   PHE   95  12.41 +/- 1.84   0.111% *  0.4276% (0.28   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB2   PHE   95  16.58 +/- 0.74   0.014% *  1.3342% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB2   PHE   95  13.88 +/- 1.47   0.046% *  0.3044% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3043 (2.40, 3.20, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 45.5:
        T HB    VAL  107 - HB2   PHE   95   2.67 +/- 0.57  99.483% * 99.6841% (0.80 10.00   4.31  45.52) = 100.000%  kept
          HB3   PHE   45 - HB2   PHE   95   8.84 +/- 0.84   0.277% *  0.0467% (0.38  1.00   0.02   1.89) =   0.000%
          QE    LYS+ 112 - HB2   PHE   95  10.78 +/- 1.92   0.234% *  0.0467% (0.38  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   95  17.60 +/- 2.02   0.003% *  0.0855% (0.69  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   95  20.33 +/- 0.98   0.001% *  0.1178% (0.95  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   PHE   95  17.74 +/- 0.74   0.002% *  0.0192% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 1 structures by 0.10 A, kept.
 
    Peak 3044 (0.10, 1.19, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.876, support = 0.02, residual support = 2.87:
          QD1   ILE   89 - QG2   THR   94   5.49 +/- 1.30  75.277% * 49.6466% (0.92   0.02   3.49) =  81.968%  kept
          QG2   VAL   83 - QG2   THR   94   7.25 +/- 1.74  20.849% * 36.9429% (0.69   0.02   0.02) =  16.893%  kept
          QD2   LEU   31 - QG2   THR   94   9.95 +/- 0.82   3.874% * 13.4105% (0.25   0.02   0.02) =   1.140%  kept
    Distance limit 3.07 A violated in 15 structures by 2.11 A, eliminated.
    Peak unassigned.
 
    Peak 3045 (5.63, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.972, support = 0.987, residual support = 1.97:
        T HA    LYS+ 106 - HA    MET   96   3.29 +/- 0.51 100.000% *100.0000% (0.97 10.00   0.99   1.97) = 100.000%  kept
    Distance limit 3.29 A violated in 0 structures by 0.21 A, kept.
 
    Peak 3046 (8.40, 5.31, 54.03 ppm):
    3 chemical-shift based assignments, quality = 0.879, support = 6.07, residual support = 46.5:
      O   HN    PHE   97 - HA    MET   96   2.26 +/- 0.05  99.994% * 99.8692% (0.88  10.0   6.07  46.53) = 100.000%  kept
          HN    LEU  115 - HA    MET   96  12.02 +/- 0.69   0.005% *  0.0999% (0.88   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    MET   96  15.54 +/- 0.76   0.001% *  0.0310% (0.27   1.0   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3047 (9.31, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.634, support = 4.09, residual support = 115.6:
      O   HN    MET   96 - HA    MET   96   2.91 +/- 0.01 100.000% *100.0000% (0.63  10.0   4.09 115.57) = 100.000%  kept
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3048 (6.70, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.486, support = 1.91, residual support = 9.14:
        T QE    PHE   45 - HB2   MET   96   5.22 +/- 1.99  90.611% * 98.2441% (0.49 10.00   1.91   9.15) =  99.944%  kept
        T HZ    PHE   72 - HB2   MET   96  11.88 +/- 1.74   2.455% *  1.6110% (0.76 10.00   0.02   0.02) =   0.044%
          QD    PHE   72 - HB2   MET   96   9.24 +/- 0.71   6.935% *  0.1448% (0.69  1.00   0.02   0.02) =   0.011%
    Distance limit 3.75 A violated in 10 structures by 1.54 A, kept.
 
    Peak 3049 (8.39, 2.21, 36.87 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.07, residual support = 46.5:
          HN    PHE   97 - HB2   MET   96   3.76 +/- 0.29  99.918% * 99.4519% (0.92   6.07  46.53) = 100.000%  kept
          HN    LEU  115 - HB2   MET   96  14.53 +/- 0.71   0.033% *  0.3274% (0.92   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   MET   96  13.70 +/- 0.72   0.047% *  0.0480% (0.14   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   MET   96  26.03 +/- 3.01   0.002% *  0.1727% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3050 (9.31, 2.21, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 4.08, residual support = 115.6:
      O   HN    MET   96 - HB2   MET   96   2.93 +/- 0.23 100.000% *100.0000% (0.65  10.0   4.08 115.57) = 100.000%  kept
    Distance limit 3.66 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 = 0.626, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - HB3   MET   96  12.60 +/- 1.86  19.907% * 81.6578% (0.99   0.02   0.02) =  52.528%  kept
          QD    PHE   72 - HB3   MET   96   9.77 +/- 0.86  80.093% * 18.3422% (0.22   0.02   0.02) =  47.472%  kept
    Distance limit 3.60 A violated in 20 structures by 5.81 A, eliminated.
    Peak unassigned.
 
    Peak 3052 (9.31, 1.93, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 3.97, residual support = 115.6:
      O   HN    MET   96 - HB3   MET   96   2.46 +/- 0.17 100.000% *100.0000% (0.65  10.0   3.97 115.57) = 100.000%  kept
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3053 (0.74, 2.21, 36.87 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 16.4:
          QG1   VAL   43 - HB2   MET   96   2.80 +/- 0.83  93.246% * 94.5898% (0.73   2.00  16.41) =  99.926%  kept
          QD2   LEU  104 - HB2   MET   96   8.17 +/- 1.64   5.020% *  1.0431% (0.80   0.02   0.02) =   0.059%
          QG1   VAL   41 - HB2   MET   96   6.66 +/- 0.66   1.551% *  0.6853% (0.53   0.02   0.02) =   0.012%
          QG2   VAL   18 - HB2   MET   96  11.09 +/- 0.97   0.082% *  1.2025% (0.92   0.02   0.02) =   0.001%
          QG2   THR   46 - HB2   MET   96  10.60 +/- 1.14   0.071% *  1.2768% (0.98   0.02   0.02) =   0.001%
          QD1   ILE   19 - HB2   MET   96  12.54 +/- 1.11   0.031% *  1.2025% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3054 (0.08, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.881, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - HB2   MET   96   7.10 +/- 0.69  51.936% * 36.4416% (0.92   0.02   0.02) =  55.102%  kept
          QG2   VAL   83 - HB2   MET   96   8.52 +/- 2.11  25.611% * 36.4416% (0.92   0.02   0.02) =  27.172%  kept
          QD1   ILE   89 - HB2   MET   96   8.72 +/- 1.73  22.452% * 27.1168% (0.69   0.02   0.02) =  17.725%  kept
    Distance limit 3.86 A violated in 20 structures by 2.36 A, eliminated.
    Peak unassigned.
 
    Peak 3055 (0.10, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.675, support = 0.02, residual support = 0.02:
        T QD1   ILE   89 - HB3   MET   96   7.68 +/- 1.63  55.980% * 94.3530% (0.69 10.00   0.02   0.02) =  95.505%  kept
          QG2   VAL   83 - HB3   MET   96   7.90 +/- 2.11  44.020% *  5.6470% (0.41  1.00   0.02   0.02) =   4.495%  kept
    Distance limit 3.85 A violated in 19 structures by 2.73 A, eliminated.
    Peak unassigned.
 
    Peak 3056 (8.39, 2.61, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 5.6, residual support = 46.5:
          HN    PHE   97 - HG2   MET   96   3.22 +/- 0.63  99.864% * 99.1286% (0.92   5.60  46.53) = 100.000%  kept
          HN    LEU  115 - HB2   PRO   52  12.14 +/- 2.47   0.077% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    LEU  115 - HG2   MET   96  14.40 +/- 1.12   0.018% *  0.3543% (0.92   0.02   0.02) =   0.000%
          HN    PHE   97 - HB2   PRO   52  18.47 +/- 2.96   0.017% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   96  14.71 +/- 0.81   0.022% *  0.0519% (0.14   0.02   0.02) =   0.000%
          HN    ALA   12 - HG2   MET   96  28.05 +/- 3.11   0.001% *  0.1868% (0.49   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   PRO   52  35.52 +/- 4.43   0.000% *  0.0549% (0.14   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   PRO   52  30.40 +/- 2.67   0.000% *  0.0153% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3057 (8.40, 2.47, 32.67 ppm):
    3 chemical-shift based assignments, quality = 0.544, support = 6.05, residual support = 46.5:
          HN    PHE   97 - HG3   MET   96   3.51 +/- 0.47  99.957% * 99.5686% (0.54   6.05  46.53) = 100.000%  kept
          HN    LEU  115 - HG3   MET   96  14.20 +/- 1.07   0.033% *  0.3293% (0.54   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG3   MET   96  17.56 +/- 1.34   0.010% *  0.1021% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3058 (1.19, 2.61, 32.67 ppm):
    12 chemical-shift based assignments, quality = 0.394, support = 2.32, residual support = 7.4:
          HG13  ILE  103 - HG2   MET   96   3.29 +/- 0.89  83.902% * 33.0006% (0.25   2.58   8.64) =  80.516%  kept
          QG2   THR   94 - HG2   MET   96   5.25 +/- 0.61  10.642% * 62.9134% (0.99   1.24   2.26) =  19.469%  kept
          HG3   LYS+ 111 - HB2   PRO   52  10.67 +/- 4.38   4.373% *  0.0464% (0.05   0.02   0.02) =   0.006%
          HD2   LYS+ 112 - HB2   PRO   52  10.59 +/- 3.10   0.697% *  0.2609% (0.25   0.02   0.02) =   0.005%
          HB3   LYS+ 112 - HB2   PRO   52  11.31 +/- 3.06   0.178% *  0.2948% (0.29   0.02   0.02) =   0.002%
          QG2   THR   94 - HB2   PRO   52  10.98 +/- 2.09   0.140% *  0.2981% (0.29   0.02   0.02) =   0.001%
          HB3   LEU   71 - HG2   MET   96  12.38 +/- 1.14   0.051% *  0.8199% (0.80   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HG2   MET   96  19.10 +/- 2.35   0.004% *  0.8882% (0.87   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG2   MET   96  19.11 +/- 1.43   0.003% *  1.0037% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG2   MET   96  16.80 +/- 2.49   0.008% *  0.1580% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   PRO   52  24.20 +/- 2.38   0.001% *  0.2409% (0.24   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB2   PRO   52  21.00 +/- 3.19   0.002% *  0.0750% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3059 (0.98, 2.61, 32.67 ppm):
    16 chemical-shift based assignments, quality = 0.866, support = 2.83, residual support = 8.64:
          QG2   ILE  103 - HG2   MET   96   3.88 +/- 0.76  47.799% * 72.9029% (1.00   3.08   8.64) =  74.152%  kept
          QD1   ILE  103 - HG2   MET   96   3.83 +/- 0.88  49.910% * 24.3185% (0.49   2.11   8.64) =  25.828%  kept
          QD2   LEU   40 - HG2   MET   96   7.31 +/- 0.66   1.742% *  0.4485% (0.95   0.02   0.02) =   0.017%
          QD1   LEU   67 - HG2   MET   96  12.08 +/- 2.64   0.133% *  0.4576% (0.97   0.02   0.02) =   0.001%
          HB    VAL   75 - HG2   MET   96  10.86 +/- 1.48   0.195% *  0.1779% (0.38   0.02   0.02) =   0.001%
          QD2   LEU   71 - HG2   MET   96  12.42 +/- 0.90   0.066% *  0.2876% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG2   MET   96  14.96 +/- 1.02   0.023% *  0.4699% (0.99   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   MET   96  13.43 +/- 0.96   0.034% *  0.1463% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   PRO   52  16.07 +/- 2.61   0.022% *  0.1380% (0.29   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   PRO   52  17.18 +/- 3.08   0.019% *  0.1390% (0.29   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   PRO   52  14.60 +/- 1.25   0.023% *  0.0430% (0.09   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB2   PRO   52  18.46 +/- 1.91   0.006% *  0.1344% (0.28   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   PRO   52  16.94 +/- 2.24   0.014% *  0.0523% (0.11   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB2   PRO   52  19.18 +/- 2.95   0.005% *  0.1318% (0.28   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   PRO   52  18.18 +/- 2.93   0.006% *  0.0678% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   PRO   52  21.46 +/- 2.22   0.002% *  0.0845% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3060 (1.37, 2.47, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.224, support = 0.532, residual support = 0.521:
          QB    LEU   98 - HG3   MET   96   5.52 +/- 1.18  26.817% * 19.6309% (0.14   0.81   0.40) =  53.138%  kept
          HG    LEU   98 - HG3   MET   96   5.42 +/- 1.43  34.057% * 10.5664% (0.25   0.24   0.40) =  36.324%  kept
          HG3   LYS+ 106 - HG3   MET   96   5.15 +/- 1.07  36.188% *  2.1626% (0.61   0.02   1.97) =   7.899%  kept
          HG3   LYS+ 102 - HG3   MET   96  10.85 +/- 1.35   0.427% * 53.3067% (0.59   0.51   0.29) =   2.299%  kept
          HB    VAL   42 - HG3   MET   96   9.18 +/- 0.77   0.770% *  1.9438% (0.54   0.02   0.02) =   0.151%
          HB3   LEU   73 - HG3   MET   96  10.41 +/- 1.36   0.483% *  2.0503% (0.57   0.02   0.02) =   0.100%
          HB3   ASP-  44 - HG3   MET   96   9.71 +/- 1.24   0.838% *  0.4289% (0.12   0.02   0.02) =   0.036%
          HB3   PRO   93 - HG3   MET   96  12.02 +/- 1.07   0.188% *  1.2271% (0.34   0.02   0.02) =   0.023%
          QB    ALA   84 - HG3   MET   96  13.09 +/- 1.91   0.164% *  1.1403% (0.32   0.02   0.02) =   0.019%
          HG3   LYS+  33 - HG3   MET   96  16.81 +/- 1.07   0.022% *  1.8104% (0.51   0.02   0.02) =   0.004%
          HB2   LYS+ 112 - HG3   MET   96  18.65 +/- 1.56   0.012% *  2.1482% (0.60   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HG3   MET   96  19.90 +/- 0.76   0.008% *  1.9438% (0.54   0.02   0.02) =   0.002%
          QB    ALA  124 - HG3   MET   96  17.80 +/- 1.87   0.022% *  0.6690% (0.19   0.02   0.02) =   0.001%
          QB    ALA   12 - HG3   MET   96  22.75 +/- 2.77   0.005% *  0.9717% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 4 structures by 0.29 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 3061 (1.19, 2.47, 32.67 ppm):
    6 chemical-shift based assignments, quality = 0.321, support = 1.88, residual support = 6.24:
          HG13  ILE  103 - HG3   MET   96   3.64 +/- 0.92  74.805% * 31.6361% (0.15  1.00   2.37   8.64) =  62.334%  kept
          QG2   THR   94 - HG3   MET   96   4.88 +/- 0.93  25.091% * 56.9885% (0.60  1.00   1.07   2.26) =  37.663%  kept
          HB3   LEU   71 - HG3   MET   96  12.66 +/- 1.53   0.078% *  0.8585% (0.49  1.00   0.02   0.02) =   0.002%
        T HD2   LYS+ 112 - HG3   MET   96  18.84 +/- 2.57   0.005% *  9.3005% (0.53 10.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HG3   MET   96  18.86 +/- 1.67   0.004% *  1.0510% (0.59  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG3   MET   96  16.49 +/- 2.68   0.016% *  0.1654% (0.09  1.00   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3062 (0.98, 2.47, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.518, support = 2.41, residual support = 8.61:
          QG2   ILE  103 - HG3   MET   96   4.09 +/- 0.73  44.440% * 69.6376% (0.61   2.67   8.64) =  72.340%  kept
          QD1   ILE  103 - HG3   MET   96   3.91 +/- 0.89  52.059% * 22.3621% (0.30   1.76   8.64) =  27.213%  kept
          QD2   LEU   40 - HG3   MET   96   7.60 +/- 0.98   3.011% *  6.3012% (0.57   0.25   0.02) =   0.444%
          QD1   LEU   67 - HG3   MET   96  12.24 +/- 2.64   0.130% *  0.5051% (0.59   0.02   0.02) =   0.002%
          HB    VAL   75 - HG3   MET   96  10.80 +/- 1.36   0.211% *  0.1964% (0.23   0.02   0.02) =   0.001%
          QD2   LEU   71 - HG3   MET   96  12.65 +/- 1.17   0.079% *  0.3174% (0.37   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG3   MET   96  14.86 +/- 1.09   0.026% *  0.5187% (0.60   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   MET   96  13.46 +/- 0.98   0.045% *  0.1615% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3063 (9.70, 5.36, 56.63 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.44, residual support = 10.9:
      O   HN    LEU   98 - HA    PHE   97   2.20 +/- 0.00 100.000% *100.0000% (0.80  10.0   3.44  10.94) = 100.000%  kept
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3064 (8.40, 5.36, 56.63 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.75, residual support = 62.7:
      O   HN    PHE   97 - HA    PHE   97   2.93 +/- 0.01  99.990% * 99.8692% (0.90  10.0   4.75  62.71) = 100.000%  kept
          HN    LEU  115 - HA    PHE   97  14.16 +/- 0.72   0.008% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    PHE   97  17.85 +/- 0.71   0.002% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 62.7:
      O T QD    PHE   97 - HB2   PHE   97   2.54 +/- 0.14  99.990% * 99.9164% (0.45  10.0 10.00   2.44  62.71) = 100.000%  kept
          HZ3   TRP   87 - HB2   PHE   97  13.23 +/- 3.25   0.010% *  0.0836% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3066 (7.80, 2.99, 40.60 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 7.16, residual support = 53.5:
          HN    ASP- 105 - HB2   PHE   97   2.27 +/- 0.43  99.999% * 99.8893% (0.95   7.16  53.46) = 100.000%  kept
          HN    ALA   88 - HB2   PHE   97  18.66 +/- 1.99   0.001% *  0.1107% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3067 (8.40, 2.99, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.85, residual support = 62.7:
      O   HN    PHE   97 - HB2   PHE   97   2.60 +/- 0.37  99.987% * 99.8692% (0.90  10.0   4.85  62.71) = 100.000%  kept
          HN    LEU  115 - HB2   PHE   97  12.53 +/- 0.61   0.011% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB2   PHE   97  16.15 +/- 0.68   0.002% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3068 (1.86, 2.99, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.978, support = 3.45, residual support = 50.3:
        T HB3   ASP- 105 - HB2   PHE   97   3.44 +/- 0.67  77.911% * 74.2623% (0.99 10.00   3.64  53.46) =  92.937%  kept
        T QB    LYS+ 106 - HB2   PHE   97   5.04 +/- 0.86  17.448% * 25.1894% (0.80 10.00   0.84   8.66) =   7.060%  kept
          HB    ILE  103 - HB2   PHE   97   7.06 +/- 0.76   1.638% *  0.0749% (1.00  1.00   0.02   1.40) =   0.002%
          HG12  ILE  103 - HB2   PHE   97   6.63 +/- 1.13   2.810% *  0.0148% (0.20  1.00   0.02   1.40) =   0.001%
          HG3   PRO   68 - HB2   PHE   97  13.99 +/- 2.79   0.063% *  0.0748% (1.00  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PHE   97  13.50 +/- 1.78   0.039% *  0.0308% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   PHE   97  18.49 +/- 3.13   0.029% *  0.0308% (0.41  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PHE   97  15.64 +/- 0.92   0.012% *  0.0709% (0.95  1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   PHE   97  14.28 +/- 1.83   0.022% *  0.0281% (0.38  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PHE   97  14.25 +/- 0.96   0.022% *  0.0187% (0.25  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PHE   97  20.60 +/- 2.90   0.003% *  0.0748% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PHE   97  21.13 +/- 1.10   0.002% *  0.0672% (0.90  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   PHE   97  21.79 +/- 1.66   0.002% *  0.0626% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 0.308, support = 4.55, residual support = 17.0:
        T HB2   LEU  104 - HB2   PHE   97   3.16 +/- 0.56  64.644% * 83.7758% (0.31 10.00   4.66  17.83) =  95.168%  kept
          QG2   ILE  103 - HB2   PHE   97   4.16 +/- 0.75  18.867% * 10.0845% (0.25  1.00   2.98   1.40) =   3.343%  kept
          QD2   LEU   40 - HB2   PHE   97   4.43 +/- 0.93  15.311% *  5.5246% (0.38  1.00   1.08   0.86) =   1.486%  kept
          QD1   LEU   67 - HB2   PHE   97   9.07 +/- 3.20   0.746% *  0.0926% (0.34  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - HB2   PHE   97   9.83 +/- 1.23   0.134% *  0.1646% (0.61  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB2   PHE   97   8.28 +/- 0.72   0.281% *  0.0537% (0.20  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   PHE   97  14.11 +/- 1.35   0.011% *  0.2568% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   PHE   97  16.22 +/- 1.11   0.006% *  0.0475% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3070 (1.01, 2.36, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.332, support = 1.56, residual support = 6.12:
        T QD2   LEU   40 - HB3   PHE   97   3.60 +/- 1.07  37.336% * 65.5245% (0.36 10.00   0.75   0.86) =  65.981%  kept
          HB2   LEU  104 - HB3   PHE   97   3.23 +/- 0.94  48.495% * 23.6241% (0.29  1.00   3.29  17.83) =  30.898%  kept
          QG2   ILE  103 - HB3   PHE   97   4.78 +/- 1.13  11.772% *  9.7961% (0.24  1.00   1.69   1.40) =   3.110%  kept
          QD1   LEU   67 - HB3   PHE   97   8.41 +/- 3.29   1.941% *  0.1588% (0.32  1.00   0.02   0.02) =   0.008%
          QD1   ILE  119 - HB3   PHE   97   9.93 +/- 1.54   0.221% *  0.2824% (0.57  1.00   0.02   0.02) =   0.002%
          QG2   VAL  108 - HB3   PHE   97   9.19 +/- 0.83   0.213% *  0.0921% (0.19  1.00   0.02   0.02) =   0.001%
          HB    VAL   75 - HB3   PHE   97  14.22 +/- 1.55   0.014% *  0.4404% (0.89  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   PHE   97  16.07 +/- 1.23   0.006% *  0.0815% (0.17  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3071 (7.13, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 2.74, residual support = 62.7:
      O T QD    PHE   97 - HB3   PHE   97   2.42 +/- 0.18  99.991% * 99.8821% (0.87  10.0 10.00   2.74  62.71) = 100.000%  kept
          HZ3   TRP   87 - HB3   PHE   97  13.78 +/- 3.33   0.008% *  0.0939% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HE3   TRP   49 - HB3   PHE   97  23.19 +/- 3.34   0.001% *  0.0241% (0.21   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3072 (7.82, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.46, support = 5.14, residual support = 53.5:
          HN    ASP- 105 - HB3   PHE   97   3.08 +/- 0.72  99.950% * 99.0155% (0.46   5.14  53.46) = 100.000%  kept
          HN    PHE   55 - HB3   PHE   97  18.83 +/- 2.75   0.046% *  0.2973% (0.36   0.02   0.02) =   0.000%
          HN    ALA   88 - HB3   PHE   97  19.32 +/- 2.16   0.005% *  0.6872% (0.82   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 1 structures by 0.07 A, kept.
 
    Peak 3073 (8.40, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.2, residual support = 62.7:
      O   HN    PHE   97 - HB3   PHE   97   3.39 +/- 0.37  99.962% * 99.8692% (0.85  10.0   5.20  62.71) = 100.000%  kept
          HN    LEU  115 - HB3   PHE   97  13.23 +/- 0.67   0.031% *  0.0999% (0.85   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   PHE   97  16.87 +/- 0.76   0.007% *  0.0310% (0.26   1.0   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3074 (1.87, 2.36, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.734, support = 2.17, residual support = 50.8:
          HB3   ASP- 105 - HB3   PHE   97   4.20 +/- 0.64  78.714% * 69.9816% (0.72  1.00   2.27  53.46) =  94.188%  kept
          QB    LYS+ 106 - HB3   PHE   97   6.03 +/- 1.08  15.063% * 22.3309% (0.93  1.00   0.57   8.66) =   5.751%  kept
          HB    ILE  103 - HB3   PHE   97   7.57 +/- 1.21   5.474% *  0.5537% (0.65  1.00   0.02   1.40) =   0.052%
        T HB3   PRO   58 - HB3   PHE   97  17.23 +/- 2.83   0.084% *  1.7946% (0.21 10.00   0.02   0.02) =   0.003%
          HG3   PRO   68 - HB3   PHE   97  13.11 +/- 2.78   0.287% *  0.5215% (0.61  1.00   0.02   0.02) =   0.003%
          HB    ILE   56 - HB3   PHE   97  14.74 +/- 2.20   0.108% *  0.6992% (0.82  1.00   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HB3   PHE   97  13.37 +/- 1.08   0.112% *  0.5853% (0.69  1.00   0.02   0.02) =   0.001%
          QB    LYS+  33 - HB3   PHE   97  14.93 +/- 0.91   0.048% *  0.6992% (0.82  1.00   0.02   0.02) =   0.001%
          HB3   GLN   30 - HB3   PHE   97  14.50 +/- 1.15   0.066% *  0.4241% (0.50  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   PHE   97  20.94 +/- 3.08   0.015% *  0.5853% (0.69  1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   PHE   97  17.11 +/- 0.83   0.019% *  0.3025% (0.36  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   PHE   97  22.10 +/- 1.86   0.005% *  0.7779% (0.91  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   PHE   97  21.90 +/- 1.18   0.005% *  0.7441% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.30 A, kept.
 
    Peak 3075 (1.80, 5.51, 53.84 ppm):
    8 chemical-shift based assignments, quality = 0.31, support = 3.84, residual support = 27.0:
          HG12  ILE  103 - HA    LEU   98   3.96 +/- 1.00  65.958% * 50.6866% (0.25   4.47  28.69) =  80.840%  kept
          HB    VAL   41 - HA    LEU   98   5.29 +/- 1.23  21.068% * 25.5890% (0.38   1.50  28.00) =  13.036%  kept
          QB    LYS+ 102 - HA    LEU   98   5.16 +/- 0.40  12.593% * 20.0830% (0.98   0.45   2.67) =   6.115%  kept
          HB2   LEU   71 - HA    LEU   98   9.61 +/- 1.08   0.332% *  0.9071% (1.00   0.02   0.02) =   0.007%
          QB    LYS+  66 - HA    LEU   98  14.10 +/- 1.20   0.032% *  0.5147% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LEU   98  17.21 +/- 0.78   0.008% *  0.9091% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   98  18.58 +/- 0.55   0.005% *  0.7593% (0.84   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LEU   98  20.48 +/- 0.83   0.003% *  0.5514% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3076 (4.29, 5.51, 53.84 ppm):
    12 chemical-shift based assignments, quality = 0.722, support = 2.94, residual support = 28.5:
          HA    ILE  103 - HA    LEU   98   2.25 +/- 0.65  94.298% * 82.2704% (0.73   2.96  28.69) =  99.072%  kept
          HA    LEU  104 - HA    LEU   98   4.99 +/- 0.71   5.683% * 12.7911% (0.28   1.20   6.70) =   0.928%  kept
          HA    ASP-  44 - HA    LEU   98  11.84 +/- 0.95   0.006% *  0.6872% (0.90   0.02   0.02) =   0.000%
          HA    THR   39 - HA    LEU   98  10.07 +/- 0.55   0.012% *  0.2131% (0.28   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    LEU   98  18.25 +/- 3.30   0.001% *  0.5564% (0.73   0.02   0.02) =   0.000%
          HB    THR   77 - HA    LEU   98  20.95 +/- 2.31   0.000% *  0.6400% (0.84   0.02   0.02) =   0.000%
          HA    SER   85 - HA    LEU   98  21.12 +/- 2.68   0.000% *  0.6400% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    LEU   98  22.32 +/- 1.78   0.000% *  0.4957% (0.65   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    LEU   98  25.97 +/- 3.11   0.000% *  0.1516% (0.20   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    LEU   98  26.25 +/- 3.30   0.000% *  0.5856% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA    LEU   98  23.83 +/- 2.13   0.000% *  0.2614% (0.34   0.02   0.02) =   0.000%
          HA    MET   11 - HA    LEU   98  27.73 +/- 3.39   0.000% *  0.7074% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 0.02, residual support = 0.616:
          HN    ASP- 105 - HA    LEU   98   5.19 +/- 0.48  99.929% * 71.5947% (0.95   0.02   0.62) =  99.972%  kept
          HN    ALA   88 - HA    LEU   98  18.65 +/- 2.74   0.071% * 28.4053% (0.38   0.02   0.02) =   0.028%
    Distance limit 3.88 A violated in 16 structures by 1.31 A, eliminated.
    Peak unassigned.
 
    Peak 3078 (8.34, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.25, residual support = 17.7:
      O   HN    LYS+  99 - HA    LEU   98   2.28 +/- 0.06  99.788% * 99.7964% (0.80  10.0   4.25  17.66) = 100.000%  kept
          HE1   HIS  122 - HA    LEU   98   9.68 +/- 4.15   0.206% *  0.0905% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    LEU   98  11.52 +/- 0.65   0.006% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LEU   98  22.07 +/- 2.08   0.000% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3079 (9.38, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 2.71, residual support = 6.7:
          HN    LEU  104 - HA    LEU   98   3.06 +/- 0.55  99.958% * 99.5181% (0.92   2.71   6.70) = 100.000%  kept
          HN    PHE   72 - HA    LEU   98  12.48 +/- 0.74   0.042% *  0.4819% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 1 structures by 0.09 A, kept.
 
    Peak 3080 (9.69, 5.51, 53.84 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.21, residual support = 81.7:
      O   HN    LEU   98 - HA    LEU   98   2.93 +/- 0.02 100.000% *100.0000% (0.98  10.0   5.21  81.72) = 100.000%  kept
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3081 (1.84, 1.41, 47.50 ppm):
    13 chemical-shift based assignments, quality = 0.441, support = 3.51, residual support = 28.1:
        T HB    VAL   41 - QB    LEU   98   2.91 +/- 1.46  59.502% * 73.3592% (0.42 10.00   3.50  28.00) =  86.222%  kept
          HG12  ILE  103 - QB    LEU   98   3.33 +/- 1.31  39.301% * 17.5553% (0.56  1.00   3.60  28.69) =  13.628%  kept
          HB    ILE  103 - QB    LEU   98   5.08 +/- 0.79   1.049% *  7.1581% (0.60  1.00   1.38  28.69) =   0.148%
        T QB    LYS+ 106 - QB    LEU   98   7.44 +/- 0.85   0.093% *  0.4652% (0.27 10.00   0.02   0.02) =   0.001%
        T QB    LYS+  33 - QB    LEU   98  10.40 +/- 0.74   0.012% *  0.7336% (0.42 10.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QB    LEU   98   8.54 +/- 0.60   0.038% *  0.0914% (0.53  1.00   0.02   0.62) =   0.000%
          HG3   PRO   68 - QB    LEU   98  14.65 +/- 1.93   0.002% *  0.1094% (0.63  1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    LEU   98  13.39 +/- 0.94   0.002% *  0.0465% (0.27  1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - QB    LEU   98  17.00 +/- 2.00   0.001% *  0.1352% (0.78  1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - QB    LEU   98  20.11 +/- 2.71   0.001% *  0.1352% (0.78  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QB    LEU   98  18.05 +/- 1.98   0.000% *  0.0514% (0.30  1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QB    LEU   98  21.68 +/- 2.49   0.000% *  0.0975% (0.56  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QB    LEU   98  19.44 +/- 1.50   0.000% *  0.0620% (0.36  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3082 (8.35, 1.41, 47.50 ppm):
    5 chemical-shift based assignments, quality = 0.268, support = 3.89, residual support = 17.7:
          HN    LYS+  99 - QB    LEU   98   3.09 +/- 0.33  99.266% * 97.3823% (0.27   3.89  17.66) =  99.995%  kept
          HN    ASN   35 - QB    LEU   98   8.67 +/- 0.80   0.240% *  1.3545% (0.72   0.02   0.02) =   0.003%
          HE1   HIS  122 - QB    LEU   98   9.98 +/- 3.71   0.491% *  0.4044% (0.22   0.02   0.02) =   0.002%
          HN    GLU-  14 - QB    LEU   98  19.01 +/- 2.02   0.003% *  0.2502% (0.13   0.02   0.02) =   0.000%
          HN    ALA   12 - QB    LEU   98  22.69 +/- 2.89   0.001% *  0.6086% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3083 (9.02, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 3.31, residual support = 28.0:
          HN    VAL   41 - QB    LEU   98   3.57 +/- 0.67 100.000% *100.0000% (0.85   3.31  28.00) = 100.000%  kept
    Distance limit 3.94 A violated in 1 structures by 0.16 A, kept.
 
    Peak 3084 (9.69, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 5.12, residual support = 81.7:
      O   HN    LEU   98 - QB    LEU   98   2.80 +/- 0.27 100.000% *100.0000% (0.85  10.0   5.12  81.72) = 100.000%  kept
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3085 (5.52, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.04, residual support = 81.7:
      O   HA    LEU   98 - HG    LEU   98   3.27 +/- 0.52 100.000% *100.0000% (0.69  10.0   4.04  81.72) = 100.000%  kept
    Distance limit 3.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3086 (9.69, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.96, residual support = 81.7:
          HN    LEU   98 - HG    LEU   98   3.20 +/- 0.75 100.000% *100.0000% (0.98   3.96  81.72) = 100.000%  kept
    Distance limit 3.70 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3087 (4.31, 0.71, 25.69 ppm):
    9 chemical-shift based assignments, quality = 0.249, support = 4.27, residual support = 28.7:
        T HA    ILE  103 - QD1   LEU   98   2.77 +/- 0.49  98.323% * 95.3462% (0.25 10.00   4.28  28.69) =  99.955%  kept
        T HA    LEU  104 - QD1   LEU   98   6.17 +/- 0.77   1.413% *  2.9222% (0.76 10.00   0.02   6.70) =   0.044%
          HA    ASP-  44 - QD1   LEU   98   9.05 +/- 1.82   0.223% *  0.1572% (0.41  1.00   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   98  13.06 +/- 3.07   0.025% *  0.3815% (1.00  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QD1   LEU   98  15.56 +/- 2.71   0.006% *  0.1304% (0.34  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   LEU   98  15.81 +/- 2.85   0.006% *  0.1304% (0.34  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   98  18.94 +/- 1.66   0.002% *  0.3815% (1.00  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   98  22.08 +/- 3.10   0.001% *  0.3790% (0.99  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   LEU   98  23.24 +/- 3.25   0.001% *  0.1714% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3088 (7.20, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 0.02, residual support = 0.02:
          HD1   TRP   27 - QD1   LEU   98   9.51 +/- 1.73  50.808% * 33.8723% (0.84   0.02   0.02) =  58.796%  kept
          QD    PHE   59 - QD1   LEU   98  11.58 +/- 1.74  18.680% * 33.8723% (0.84   0.02   0.02) =  21.617%  kept
          HE21  GLN   30 - QD1   LEU   98  10.57 +/- 1.32  26.506% * 19.7390% (0.49   0.02   0.02) =  17.875%  kept
          HH2   TRP   49 - QD1   LEU   98  18.42 +/- 4.11   4.005% * 12.5164% (0.31   0.02   0.02) =   1.712%  kept
    Distance limit 3.52 A violated in 20 structures by 4.78 A, eliminated.
    Peak unassigned.
 
    Peak 3089 (0.61, 1.77, 37.34 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 3.07, residual support = 17.3:
        T QD1   LEU  104 - HB2   LYS+  99   2.65 +/- 1.45  96.729% * 98.4796% (0.69 10.00   3.07  17.35) =  99.992%  kept
        T QD1   LEU   63 - HB2   LYS+  99  10.51 +/- 1.11   1.989% *  0.2212% (0.15 10.00   0.02   0.02) =   0.005%
        T QD1   LEU   73 - HB2   LYS+  99  11.07 +/- 0.98   1.011% *  0.2212% (0.15 10.00   0.02   0.02) =   0.002%
        T QG2   ILE   89 - HB2   LYS+  99  17.80 +/- 1.89   0.045% *  0.8117% (0.57 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LYS+  99  16.23 +/- 2.41   0.104% *  0.1430% (1.00  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LYS+  99  15.27 +/- 1.19   0.070% *  0.0589% (0.41  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LYS+  99  17.85 +/- 3.23   0.052% *  0.0643% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 1 structures by 0.29 A, kept.
 
    Peak 3090 (0.98, 1.77, 37.34 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 2.43, residual support = 11.6:
        T QD2   LEU   40 - HB2   LYS+  99   3.00 +/- 0.56  98.252% * 99.5023% (0.95 10.00   2.43  11.63) =  99.998%  kept
          QG2   ILE  103 - HB2   LYS+  99   7.08 +/- 0.43   0.869% *  0.1050% (1.00  1.00   0.02   0.02) =   0.001%
          QD1   LEU   67 - HB2   LYS+  99  10.01 +/- 3.07   0.399% *  0.1015% (0.97  1.00   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LYS+  99   8.32 +/- 0.67   0.359% *  0.0512% (0.49  1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   LYS+  99  10.20 +/- 1.00   0.095% *  0.0638% (0.61  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  99  13.26 +/- 1.72   0.021% *  0.0325% (0.31  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LYS+  99  20.01 +/- 1.28   0.002% *  0.1043% (0.99  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LYS+  99  17.81 +/- 1.65   0.004% *  0.0395% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3091 (8.35, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 4.79, residual support = 171.0:
      O   HN    LYS+  99 - HB2   LYS+  99   3.02 +/- 0.25  97.051% * 99.4797% (0.31  10.0   4.79 171.04) =  99.997%  kept
          HE1   HIS  122 - HB2   LYS+  99   9.46 +/- 4.09   2.904% *  0.0804% (0.25   1.0   0.02   0.02) =   0.002%
          HN    ASN   35 - HB2   LYS+  99  11.43 +/- 0.82   0.043% *  0.2692% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+  99  20.95 +/- 2.17   0.001% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   LYS+  99  25.12 +/- 2.85   0.000% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 5.18, residual support = 171.0:
      O   HN    LYS+  99 - HA    LYS+  99   2.91 +/- 0.03  99.578% * 99.7964% (0.80  10.0   5.18 171.04) = 100.000%  kept
          HE1   HIS  122 - HA    LYS+  99  10.73 +/- 3.99   0.281% *  0.0905% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    LYS+  99   8.89 +/- 0.72   0.140% *  0.0425% (0.34   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  99  19.68 +/- 2.41   0.001% *  0.0706% (0.57   1.0   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 6.82, residual support = 39.6:
      O   HN    GLU- 100 - HA    LYS+  99   2.19 +/- 0.03 100.000% *100.0000% (0.84  10.0   6.82  39.58) = 100.000%  kept
    Distance limit 2.92 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 = 0.788, support = 5.03, residual support = 184.4:
      O   QE    LYS+  99 - HG2   LYS+  99   2.80 +/- 0.49  40.194% * 79.1619% (0.99  10.0   5.21 171.04) =  72.231%  kept
      O   QE    LYS+  38 - HG2   LYS+  38   2.55 +/- 0.50  59.408% * 20.5905% (0.26  10.0   4.58 219.19) =  27.769%  kept
          QE    LYS+  38 - HG2   LYS+  99   7.14 +/- 1.20   0.263% *  0.0756% (0.95   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  99   9.25 +/- 1.20   0.037% *  0.0610% (0.76   1.0   0.02   1.82) =   0.000%
          QE    LYS+  99 - HG2   LYS+  38   8.16 +/- 0.97   0.061% *  0.0216% (0.27   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  99   9.25 +/- 0.62   0.027% *  0.0272% (0.34   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  38  12.45 +/- 1.85   0.008% *  0.0166% (0.21   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  99  16.76 +/- 1.25   0.001% *  0.0300% (0.38   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  38  15.64 +/- 1.23   0.001% *  0.0074% (0.09   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  38  17.19 +/- 1.02   0.001% *  0.0082% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3096 (4.38, 1.33, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.835, support = 7.06, residual support = 171.0:
      O T HA    LYS+  99 - HG2   LYS+  99   2.81 +/- 0.43  78.044% * 98.9579% (0.84  10.0 10.00   7.06 171.04) =  99.986%  kept
          HA    LEU   40 - HG2   LYS+  99   4.35 +/- 0.97   9.021% *  0.0671% (0.57   1.0  1.00   0.02  11.63) =   0.008%
          HA    ASN   35 - HG2   LYS+  38   4.22 +/- 0.96  12.277% *  0.0305% (0.26   1.0  1.00   0.02   0.02) =   0.005%
        T HA    LYS+  99 - HG2   LYS+  38   7.99 +/- 0.89   0.262% *  0.2697% (0.23   1.0 10.00   0.02   0.02) =   0.001%
          HA    ASN   35 - HG2   LYS+  99   8.44 +/- 0.75   0.151% *  0.1121% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   LYS+  38   8.12 +/- 0.50   0.224% *  0.0183% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  99  15.14 +/- 3.51   0.009% *  0.1182% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  99  17.52 +/- 2.10   0.002% *  0.0445% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  38  18.04 +/- 2.67   0.006% *  0.0121% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  99  22.92 +/- 2.61   0.000% *  0.1143% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  38  21.02 +/- 4.45   0.001% *  0.0322% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  99  21.83 +/- 2.99   0.001% *  0.0445% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  99  22.33 +/- 2.35   0.000% *  0.0487% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  38  20.35 +/- 3.69   0.001% *  0.0121% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  99  23.81 +/- 0.64   0.000% *  0.0577% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  38  28.44 +/- 2.08   0.000% *  0.0312% (0.26   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  38  27.23 +/- 1.98   0.000% *  0.0133% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  38  30.51 +/- 1.24   0.000% *  0.0157% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3097 (4.41, 3.81, 57.72 ppm):
    20 chemical-shift based assignments, quality = 0.0754, support = 5.18, residual support = 12.8:
          HA    SER   37 - HA    LYS+  38   5.18 +/- 0.03  47.227% * 43.4648% (0.05  1.00   5.56  13.72) =  92.923%  kept
          HA    LEU   40 - HA    GLU- 100   5.86 +/- 1.17  31.550% *  2.7115% (0.80  1.00   0.02   0.02) =   3.873%  kept
          HA    LEU   40 - HA    LYS+  38   6.06 +/- 0.10  18.376% *  3.5541% (0.05  1.00   0.43   0.02) =   2.956%  kept
          HA    SER   37 - HA    GLU- 100   9.17 +/- 1.21   1.852% *  2.5879% (0.76  1.00   0.02   0.02) =   0.217%
          HA    VAL   42 - HA    GLU- 100  11.28 +/- 1.12   0.451% *  0.7539% (0.22  1.00   0.02   0.02) =   0.015%
        T HA    PRO   58 - HA    GLU- 100  25.19 +/- 2.31   0.004% * 31.2594% (0.92 10.00   0.02   0.02) =   0.006%
          HA    GLU-  15 - HA    GLU- 100  18.82 +/- 2.13   0.025% *  3.2033% (0.95  1.00   0.02   0.02) =   0.004%
          HA    SER   13 - HA    GLU- 100  22.28 +/- 3.51   0.011% *  3.2033% (0.95  1.00   0.02   0.02) =   0.002%
          HA    GLN   17 - HA    GLU- 100  21.04 +/- 1.19   0.011% *  2.5879% (0.76  1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - HA    GLU- 100  19.34 +/- 3.64   0.028% *  0.6701% (0.20  1.00   0.02   0.02) =   0.001%
          HA    THR   46 - HA    GLU- 100  23.83 +/- 1.70   0.005% *  2.8285% (0.84  1.00   0.02   0.02) =   0.001%
          HA    VAL   42 - HA    LYS+  38  12.05 +/- 0.18   0.301% *  0.0456% (0.01  1.00   0.02   0.02) =   0.001%
          HA    GLU-  15 - HA    LYS+  38  16.52 +/- 1.97   0.068% *  0.1936% (0.06  1.00   0.02   0.02) =   0.001%
        T HA    PRO   58 - HA    LYS+  38  25.32 +/- 1.77   0.004% *  1.8889% (0.06 10.00   0.02   0.02) =   0.000%
          HA    SER   13 - HA    LYS+  38  19.27 +/- 3.22   0.029% *  0.1936% (0.06  1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HA    LYS+  38  19.63 +/- 1.12   0.018% *  0.1564% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HA    GLU- 100  25.59 +/- 2.32   0.004% *  0.4583% (0.14  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HA    LYS+  38  19.81 +/- 4.16   0.029% *  0.0405% (0.01  1.00   0.02   0.02) =   0.000%
          HA    THR   46 - HA    LYS+  38  24.59 +/- 0.85   0.004% *  0.1709% (0.05  1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HA    LYS+  38  26.43 +/- 1.95   0.003% *  0.0277% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 14 structures by 0.99 A, kept.
 
    Peak 3098 (8.85, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 14.9:
      O   HN    GLY  101 - HA    GLU- 100   3.14 +/- 0.35  98.436% * 99.9940% (1.00  10.0   3.86  14.95) = 100.000%  kept
          HN    GLY  101 - HA    LYS+  38   6.74 +/- 0.95   1.564% *  0.0060% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3099 (10.12, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.39, residual support = 75.7:
      O   HN    GLU- 100 - HA    GLU- 100   2.21 +/- 0.06  98.205% * 99.9940% (0.84  10.0   6.39  75.70) = 100.000%  kept
          HN    GLU- 100 - HA    LYS+  38   4.59 +/- 0.68   1.795% *  0.0060% (0.05   1.0   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3100 (4.00, 2.37, 29.04 ppm):
    11 chemical-shift based assignments, quality = 0.779, support = 0.0199, residual support = 0.0199:
        T HA    LYS+  33 - HB2   GLU- 100  13.04 +/- 1.46  12.833% * 28.3278% (1.00 10.00   0.02   0.02) =  51.223%  kept
        T HA    GLN   32 - HB2   GLU- 100  12.26 +/- 1.50  20.054% *  8.7627% (0.31 10.00   0.02   0.02) =  24.761%  kept
        T HA    GLU-  29 - HB2   GLU- 100  17.08 +/- 1.49   2.592% * 27.8286% (0.98 10.00   0.02   0.02) =  10.164%  kept
          HA    VAL   70 - HB2   GLU- 100  11.83 +/- 1.08  25.016% *  2.3714% (0.84  1.00   0.02   0.02) =   8.359%  kept
          HB2   SER   37 - HB2   GLU- 100  10.98 +/- 1.52  37.028% *  0.5618% (0.20  1.00   0.02   0.02) =   2.931%  kept
        T HA    GLN  116 - HB2   GLU- 100  23.00 +/- 1.34   0.585% * 23.7140% (0.84 10.00   0.02   0.02) =   1.954%  kept
          HA    VAL   18 - HB2   GLU- 100  19.85 +/- 0.91   1.106% *  2.7399% (0.97  1.00   0.02   0.02) =   0.427%
          HB2   SER   82 - HB2   GLU- 100  25.37 +/- 3.62   0.310% *  2.6208% (0.92  1.00   0.02   0.02) =   0.114%
          HA    ALA   88 - HB2   GLU- 100  26.50 +/- 2.91   0.246% *  0.9684% (0.34  1.00   0.02   0.02) =   0.034%
          HA    SER   48 - HB2   GLU- 100  30.38 +/- 2.32   0.104% *  1.6074% (0.57  1.00   0.02   0.02) =   0.023%
          HD2   PRO   52 - HB2   GLU- 100  30.18 +/- 2.88   0.127% *  0.4972% (0.18  1.00   0.02   0.02) =   0.009%
    Distance limit 3.36 A violated in 20 structures by 5.89 A, eliminated.
    Peak unassigned.
 
    Peak 3103 (1.31, 2.23, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.446, support = 5.26, residual support = 39.4:
          HG2   LYS+  99 - HG2   GLU- 100   4.17 +/- 0.96  52.488% * 97.4992% (0.45   5.29  39.58) =  99.570%  kept
          HG2   LYS+  38 - HG2   GLU- 100   4.65 +/- 1.60  47.463% *  0.4659% (0.57   0.02   0.02) =   0.430%
          HB2   LEU   31 - HG2   GLU- 100  12.66 +/- 1.62   0.044% *  0.1441% (0.18   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   GLU- 100  21.84 +/- 1.92   0.002% *  0.8066% (0.98   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   GLU- 100  23.05 +/- 2.53   0.001% *  0.7380% (0.90   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   GLU- 100  20.72 +/- 1.34   0.002% *  0.1629% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG2   GLU- 100  28.37 +/- 2.66   0.000% *  0.1832% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 8 structures by 0.91 A, kept.
 
    Peak 3104 (1.31, 2.12, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 4.08, residual support = 39.5:
          HG2   LYS+  99 - HG3   GLU- 100   3.17 +/- 1.17  77.505% * 96.7871% (0.45   4.08  39.58) =  99.821%  kept
          HG2   LYS+  38 - HG3   GLU- 100   5.43 +/- 1.74  22.463% *  0.5986% (0.57   0.02   0.02) =   0.179%
          HB2   LEU   31 - HG3   GLU- 100  12.58 +/- 1.59   0.029% *  0.1852% (0.18   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLU- 100  21.19 +/- 1.61   0.001% *  1.0363% (0.98   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLU- 100  22.49 +/- 2.30   0.001% *  0.9482% (0.90   0.02   0.02) =   0.000%
          QG2   THR   23 - HG3   GLU- 100  20.44 +/- 1.15   0.001% *  0.2092% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   GLU- 100  27.35 +/- 2.65   0.000% *  0.2354% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 4 structures by 0.42 A, kept.
 
    Peak 3105 (3.81, 2.12, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.46, residual support = 75.7:
      O   HA    GLU- 100 - HG3   GLU- 100   2.88 +/- 0.44  87.508% * 99.7364% (1.00  10.0   4.46  75.70) =  99.997%  kept
          HA    LYS+  38 - HG3   GLU- 100   4.74 +/- 1.63  12.490% *  0.0198% (0.20   1.0   0.02   0.02) =   0.003%
          HD2   PRO   58 - HG3   GLU- 100  26.64 +/- 2.80   0.001% *  0.0991% (0.99   1.0   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   GLU- 100  22.51 +/- 2.88   0.001% *  0.1000% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLU- 100  27.70 +/- 2.48   0.000% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3106 (10.11, 2.12, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.3, residual support = 75.7:
          HN    GLU- 100 - HG3   GLU- 100   2.99 +/- 0.57 100.000% *100.0000% (0.97   4.30  75.70) = 100.000%  kept
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3107 (10.12, 2.23, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.48, residual support = 75.7:
          HN    GLU- 100 - HG2   GLU- 100   3.60 +/- 0.68 100.000% *100.0000% (0.84   6.48  75.70) = 100.000%  kept
    Distance limit 4.10 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3108 (7.76, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 4.64, residual support = 159.3:
      O   HN    LYS+ 102 - QB    LYS+ 102   2.55 +/- 0.09  99.509% * 99.6342% (1.00  10.0   4.64 159.26) = 100.000%  kept
          HN    LYS+ 102 - HB    VAL   41   7.52 +/- 1.70   0.317% *  0.0448% (0.45   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HB    VAL   41   8.15 +/- 0.61   0.114% *  0.0272% (0.27   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB    VAL   41  10.18 +/- 0.89   0.032% *  0.0433% (0.43   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - QB    LYS+ 102  11.54 +/- 1.25   0.014% *  0.0606% (0.61   1.0   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    LYS+ 102  13.26 +/- 1.20   0.006% *  0.0964% (0.97   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    LYS+ 102  16.85 +/- 3.30   0.003% *  0.0646% (0.65   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    VAL   41  13.91 +/- 2.03   0.005% *  0.0290% (0.29   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3109 (8.62, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.45, residual support = 22.4:
          HN    ILE  103 - QB    LYS+ 102   3.23 +/- 0.39  99.536% * 98.9455% (1.00   5.45  22.44) =  99.999%  kept
          HN    ILE  103 - HB    VAL   41   8.53 +/- 1.27   0.446% *  0.1631% (0.45   0.02   0.02) =   0.001%
          HN    GLY  109 - QB    LYS+ 102  18.18 +/- 0.67   0.004% *  0.1909% (0.53   0.02   0.02) =   0.000%
          HN    GLN   90 - QB    LYS+ 102  21.25 +/- 2.60   0.002% *  0.3433% (0.95   0.02   0.02) =   0.000%
          HN    GLN   90 - HB    VAL   41  19.34 +/- 1.80   0.003% *  0.1543% (0.43   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    VAL   41  18.24 +/- 1.32   0.004% *  0.0858% (0.24   0.02   0.02) =   0.000%
          HN    SER   82 - HB    VAL   41  18.62 +/- 2.34   0.004% *  0.0363% (0.10   0.02   0.02) =   0.000%
          HN    SER   82 - QB    LYS+ 102  22.38 +/- 3.55   0.001% *  0.0808% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3110 (7.78, 1.45, 25.01 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 4.42, residual support = 159.3:
          HN    LYS+ 102 - HG2   LYS+ 102   3.75 +/- 0.46  98.638% * 99.2115% (0.73   4.42 159.26) =  99.997%  kept
          HN    ASP- 105 - HG2   LYS+ 102   9.48 +/- 1.70   1.252% *  0.2322% (0.38   0.02   0.02) =   0.003%
          HN    GLU-  36 - HG2   LYS+ 102  14.90 +/- 1.75   0.032% *  0.3255% (0.53   0.02   0.02) =   0.000%
          HN    THR   39 - HG2   LYS+ 102  13.24 +/- 1.52   0.063% *  0.1084% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG2   LYS+ 102  19.36 +/- 3.93   0.014% *  0.1224% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3111 (3.95, 4.28, 62.30 ppm):
    20 chemical-shift based assignments, quality = 0.58, support = 0.0199, residual support = 0.0199:
        T QB    SER  117 - HA    ILE  103  13.82 +/- 1.53  14.146% *  7.5887% (0.34 10.00   0.02   0.02) =  33.880%  kept
        T QB    SER   85 - HA    ILE  103  19.10 +/- 2.98   2.570% * 19.9520% (0.90 10.00   0.02   0.02) =  16.186%  kept
          HB    THR   94 - HA    ILE  103  12.75 +/- 0.92  20.179% *  1.7002% (0.76  1.00   0.02   0.02) =  10.828%  kept
          HA    LYS+ 121 - HA    ILE  103  13.07 +/- 2.45  22.092% *  1.5282% (0.69  1.00   0.02   0.02) =  10.655%  kept
        T QB    SER   48 - HA    ILE  103  22.29 +/- 2.84   1.328% * 19.2979% (0.87 10.00   0.02   0.02) =   8.091%  kept
        T HD2   PRO   52 - HA    ILE  103  22.84 +/- 3.20   2.782% *  5.5474% (0.25 10.00   0.02   0.02) =   4.871%  kept
          HA    ALA  120 - HA    ILE  103  16.37 +/- 1.95   5.066% *  2.2050% (0.99  1.00   0.02   0.02) =   3.525%  kept
        T HA2   GLY   51 - HA    ILE  103  25.53 +/- 3.16   0.587% * 13.4936% (0.61 10.00   0.02   0.02) =   2.501%  kept
          HA2   GLY   16 - HA    THR   39  14.75 +/- 1.82  10.763% *  0.6592% (0.30  1.00   0.02   0.02) =   2.239%  kept
        T QB    SER  117 - HA    THR   39  19.78 +/- 1.85   1.527% *  2.5072% (0.11 10.00   0.02   0.02) =   1.208%  kept
          HA    LYS+  65 - HA    THR   39  15.55 +/- 1.27   6.223% *  0.6139% (0.28  1.00   0.02   0.02) =   1.206%  kept
          HA    LYS+ 121 - HA    THR   39  16.82 +/- 3.29   5.342% *  0.5049% (0.23  1.00   0.02   0.02) =   0.851%  kept
        T QB    SER   85 - HA    THR   39  24.62 +/- 1.52   0.398% *  6.5917% (0.30 10.00   0.02   0.02) =   0.827%  kept
          HA    LYS+  65 - HA    ILE  103  19.96 +/- 1.20   1.358% *  1.8582% (0.84  1.00   0.02   0.02) =   0.796%  kept
          HA    ALA  120 - HA    THR   39  18.39 +/- 3.08   3.013% *  0.7285% (0.33  1.00   0.02   0.02) =   0.693%  kept
        T QB    SER   48 - HA    THR   39  25.85 +/- 1.47   0.288% *  6.3756% (0.29 10.00   0.02   0.02) =   0.580%  kept
          HA2   GLY   16 - HA    ILE  103  21.61 +/- 1.52   0.859% *  1.9952% (0.90  1.00   0.02   0.02) =   0.541%  kept
        T HA2   GLY   51 - HA    THR   39  29.93 +/- 2.97   0.153% *  4.4580% (0.20 10.00   0.02   0.02) =   0.215%
          HB    THR   94 - HA    THR   39  20.38 +/- 0.69   1.152% *  0.5617% (0.25  1.00   0.02   0.02) =   0.204%
        T HD2   PRO   52 - HA    THR   39  28.27 +/- 2.37   0.174% *  1.8327% (0.08 10.00   0.02   0.02) =   0.101%
    Distance limit 3.09 A violated in 20 structures by 6.53 A, eliminated.
    Peak unassigned.
 
    Peak 3113 (9.38, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.99, residual support = 36.6:
      O   HN    LEU  104 - HA    ILE  103   2.29 +/- 0.11  99.966% * 99.8797% (0.92  10.0   5.99  36.61) = 100.000%  kept
          HN    PHE   72 - HA    THR   39   9.38 +/- 0.79   0.027% *  0.0217% (0.20   1.0   0.02   0.02) =   0.000%
          HN    LEU  104 - HA    THR   39  12.24 +/- 1.02   0.005% *  0.0330% (0.30   1.0   0.02   0.02) =   0.000%
          HN    PHE   72 - HA    ILE  103  14.13 +/- 0.78   0.002% *  0.0656% (0.61   1.0   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3114 (7.75, 4.28, 62.30 ppm):
    14 chemical-shift based assignments, quality = 0.332, support = 3.84, residual support = 37.9:
      O   HN    THR   39 - HA    THR   39   2.85 +/- 0.01  95.941% * 72.9605% (0.33  10.0   3.84  38.15) =  98.618%  kept
          HN    LYS+ 102 - HA    ILE  103   4.92 +/- 0.22   3.776% * 25.9790% (0.65   1.0   3.60  22.44) =   1.382%  kept
          HN    GLU-  36 - HA    THR   39   8.03 +/- 0.16   0.193% *  0.0615% (0.28   1.0   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE  103  12.81 +/- 0.65   0.012% *  0.2208% (0.99   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    THR   39  10.41 +/- 1.27   0.053% *  0.0476% (0.21   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  14.88 +/- 3.06   0.009% *  0.2223% (1.00   1.0   0.02   3.17) =   0.000%
          HN    GLU-  36 - HA    ILE  103  15.16 +/- 0.66   0.004% *  0.1861% (0.84   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  16.95 +/- 1.37   0.003% *  0.1085% (0.49   1.0   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  16.02 +/- 0.56   0.003% *  0.0358% (0.16   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  19.05 +/- 2.03   0.001% *  0.0441% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE  103  18.45 +/- 1.43   0.002% *  0.0344% (0.15   1.0   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  21.41 +/- 1.58   0.001% *  0.0734% (0.33   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    THR   39  18.79 +/- 1.40   0.001% *  0.0114% (0.05   1.0   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  26.50 +/- 1.56   0.000% *  0.0146% (0.07   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3115 (0.69, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 4.28, residual support = 28.7:
        T QD1   LEU   98 - HA    ILE  103   2.77 +/- 0.49  99.850% * 99.6453% (0.41 10.00   4.28  28.69) = 100.000%  kept
          QG2   ILE   19 - HA    THR   39  10.60 +/- 1.07   0.053% *  0.0799% (0.33  1.00   0.02   0.02) =   0.000%
          QD1   LEU   98 - HA    THR   39   9.70 +/- 0.62   0.090% *  0.0329% (0.14  1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - HA    ILE  103  14.56 +/- 1.06   0.007% *  0.2418% (1.00  1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3116 (7.78, 0.98, 18.17 ppm):
    5 chemical-shift based assignments, quality = 0.402, support = 2.29, residual support = 3.83:
          HN    ASP- 105 - QG2   ILE  103   3.46 +/- 0.30  97.068% * 25.5881% (0.38   2.21   2.31) =  92.440%  kept
          HN    LYS+ 102 - QG2   ILE  103   6.39 +/- 0.17   2.750% * 73.8568% (0.73   3.29  22.44) =   7.559%  kept
          HD1   TRP   87 - QG2   ILE  103  11.92 +/- 2.57   0.132% *  0.1222% (0.20   0.02   3.17) =   0.001%
          HN    GLU-  36 - QG2   ILE  103  15.19 +/- 0.55   0.015% *  0.3248% (0.53   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   ILE  103  13.18 +/- 0.54   0.035% *  0.1081% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3117 (9.39, 0.98, 18.17 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 6.64, residual support = 36.6:
          HN    LEU  104 - QG2   ILE  103   2.48 +/- 0.42  99.994% * 99.9412% (0.90   6.64  36.61) = 100.000%  kept
          HN    PHE   72 - QG2   ILE  103  13.21 +/- 0.71   0.006% *  0.0588% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3118 (8.62, 1.86, 38.31 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.72, residual support = 138.2:
      O   HN    ILE  103 - HB    ILE  103   2.16 +/- 0.07  99.999% * 99.8308% (1.00  10.0   6.72 138.23) = 100.000%  kept
          HN    GLY  109 - HB    ILE  103  15.50 +/- 0.86   0.001% *  0.0525% (0.53   1.0   0.02   0.02) =   0.000%
          HN    GLN   90 - HB    ILE  103  19.01 +/- 2.76   0.000% *  0.0944% (0.95   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HB    ILE  103  21.75 +/- 3.60   0.000% *  0.0222% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3119 (4.31, 1.82, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.2, support = 5.98, residual support = 138.2:
      O T HA    ILE  103 - HG12  ILE  103   2.45 +/- 0.34  99.629% * 97.9216% (0.20  10.0 10.00   5.98 138.23) =  99.999%  kept
          HA    LEU  104 - HG12  ILE  103   6.49 +/- 0.19   0.346% *  0.3001% (0.61   1.0  1.00   0.02  36.61) =   0.001%
          HA    ASP-  86 - HG12  ILE  103  15.44 +/- 4.05   0.008% *  0.3918% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG12  ILE  103  11.63 +/- 1.52   0.014% *  0.1614% (0.33   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HG12  ILE  103  18.32 +/- 3.54   0.002% *  0.1340% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HG12  ILE  103  19.21 +/- 3.26   0.001% *  0.1340% (0.27   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG12  ILE  103  24.86 +/- 1.97   0.000% *  0.3918% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HG12  ILE  103  28.75 +/- 3.35   0.000% *  0.3892% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HG12  ILE  103  30.19 +/- 3.59   0.000% *  0.1761% (0.36   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3120 (8.62, 1.82, 28.60 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.92, residual support = 138.2:
          HN    ILE  103 - HG12  ILE  103   3.00 +/- 0.34  99.985% * 99.5124% (0.80   6.92 138.23) = 100.000%  kept
          HN    GLY  109 - HG12  ILE  103  15.46 +/- 1.04   0.008% *  0.1514% (0.42   0.02   0.02) =   0.000%
          HN    GLN   90 - HG12  ILE  103  17.91 +/- 2.57   0.004% *  0.2722% (0.76   0.02   0.02) =   0.000%
          HN    SER   82 - HG12  ILE  103  19.81 +/- 3.50   0.002% *  0.0641% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3121 (1.18, 1.82, 28.60 ppm):
    6 chemical-shift based assignments, quality = 0.581, support = 4.31, residual support = 138.2:
      O T HG13  ILE  103 - HG12  ILE  103   1.75 +/- 0.00  99.988% * 99.2748% (0.58  10.0 10.00   4.31 138.23) = 100.000%  kept
          QG2   THR   94 - HG12  ILE  103   8.48 +/- 0.92   0.010% *  0.1045% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   71 - HG12  ILE  103  13.13 +/- 1.21   0.001% *  0.4220% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG12  ILE  103  11.71 +/- 1.11   0.001% *  0.0380% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG12  ILE  103  22.18 +/- 1.45   0.000% *  0.1095% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG12  ILE  103  22.30 +/- 2.45   0.000% *  0.0513% (0.30   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3122 (0.98, 1.82, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.482, support = 4.78, residual support = 138.2:
      O T QD1   ILE  103 - HG12  ILE  103   2.15 +/- 0.01  87.453% * 32.5765% (0.39  10.0 10.00   4.62 138.23) =  77.423%  kept
      O T QG2   ILE  103 - HG12  ILE  103   3.05 +/- 0.26  12.440% * 66.7776% (0.80  10.0 10.00   5.31 138.23) =  22.576%  kept
          QD2   LEU   40 - HG12  ILE  103   6.98 +/- 0.95   0.099% *  0.0633% (0.76   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG12  ILE  103  12.98 +/- 0.96   0.002% *  0.4059% (0.49   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG12  ILE  103  13.28 +/- 2.98   0.004% *  0.0646% (0.77   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  103  14.08 +/- 1.99   0.002% *  0.0251% (0.30   1.0  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  103  18.44 +/- 1.34   0.000% *  0.0663% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG12  ILE  103  15.20 +/- 1.27   0.001% *  0.0207% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3123 (0.70, 1.82, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.718, support = 5.56, residual support = 28.7:
          QD1   LEU   98 - HG12  ILE  103   2.33 +/- 0.76  99.994% * 99.7411% (0.72   5.56  28.69) = 100.000%  kept
          QG2   ILE   19 - HG12  ILE  103  14.56 +/- 1.36   0.006% *  0.2589% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 1 structures by 0.06 A, kept.
 
    Peak 3124 (0.95, 1.16, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.76, support = 4.05, residual support = 138.2:
      O   QD1   ILE  103 - HG13  ILE  103   2.15 +/- 0.01  61.919% * 82.5087% (0.84  10.0   3.97 138.23) =  88.578%  kept
      O   QG2   ILE  103 - HG13  ILE  103   2.34 +/- 0.17  38.079% * 17.2996% (0.18  10.0   4.66 138.23) =  11.422%  kept
          QD2   LEU   71 - HG13  ILE  103  13.07 +/- 0.90   0.001% *  0.0717% (0.73   1.0   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG13  ILE  103  14.39 +/- 1.14   0.001% *  0.0953% (0.97   1.0   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  103  17.70 +/- 1.24   0.000% *  0.0246% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 2.57 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 = 2.46, residual support = 28.7:
          QD1   LEU   98 - HG13  ILE  103   2.71 +/- 0.87  99.984% * 99.4171% (0.90   2.46  28.69) = 100.000%  kept
          QG2   ILE   19 - HG13  ILE  103  14.43 +/- 1.16   0.016% *  0.5829% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 1 structures by 0.14 A, kept.
 
    Peak 3126 (7.17, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.578, support = 0.02, residual support = 0.02:
          HD1   TRP   27 - QD1   ILE  103  11.56 +/- 1.76  42.538% * 17.5479% (0.45   0.02   0.02) =  35.849%  kept
          QD    PHE   59 - QD1   ILE  103  12.24 +/- 1.47  34.074% * 17.5479% (0.45   0.02   0.02) =  28.716%  kept
          HE21  GLN   30 - QD1   ILE  103  13.57 +/- 1.45  16.216% * 30.1124% (0.77   0.02   0.02) =  23.451%  kept
          HH2   TRP   49 - QD1   ILE  103  17.61 +/- 3.64   7.172% * 34.7918% (0.89   0.02   0.02) =  11.983%  kept
    Distance limit 3.97 A violated in 20 structures by 5.84 A, eliminated.
    Peak unassigned.
 
    Peak 3127 (7.70, 0.96, 13.94 ppm):
    6 chemical-shift based assignments, quality = 0.543, support = 0.02, residual support = 2.8:
          HE3   TRP   87 - QD1   ILE  103   7.76 +/- 3.94  79.559% * 16.9137% (0.52   0.02   3.17) =  78.883%  kept
          HN    TRP   87 - QD1   ILE  103  11.21 +/- 3.26   7.385% * 21.6935% (0.67   0.02   3.17) =   9.392%  kept
          HD21  ASN   69 - QD1   ILE  103  15.04 +/- 1.34   5.848% * 20.5212% (0.63   0.02   0.02) =   7.035%  kept
          HN    GLN   17 - QD1   ILE  103  18.51 +/- 1.06   1.476% * 25.9142% (0.80   0.02   0.02) =   2.242%  kept
          HN    ALA   91 - QD1   ILE  103  13.93 +/- 2.18   3.538% *  6.6512% (0.21   0.02   0.02) =   1.379%  kept
          HN    ALA   61 - QD1   ILE  103  16.63 +/- 1.41   2.194% *  8.3063% (0.26   0.02   0.02) =   1.068%  kept
    Distance limit 3.63 A violated in 15 structures by 3.53 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 = 138.2:
          HN    ILE  103 - QD1   ILE  103   3.05 +/- 0.73  99.873% * 99.4041% (0.92   5.65 138.23) = 100.000%  kept
          HN    GLN   90 - QD1   ILE  103  14.12 +/- 2.49   0.043% *  0.3326% (0.87   0.02   0.02) =   0.000%
          HN    GLY  109 - QD1   ILE  103  12.28 +/- 1.09   0.067% *  0.1850% (0.49   0.02   0.02) =   0.000%
          HN    SER   82 - QD1   ILE  103  16.21 +/- 3.12   0.017% *  0.0783% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3129 (4.29, 1.16, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 138.2:
      O   HA    ILE  103 - HG13  ILE  103   2.74 +/- 0.41  99.174% * 99.0827% (0.73  10.0   5.40 138.23) = 100.000%  kept
          HA    LEU  104 - HG13  ILE  103   6.35 +/- 0.40   0.734% *  0.0379% (0.28   1.0   0.02  36.61) =   0.000%
          HA    ASP-  44 - HG13  ILE  103  10.65 +/- 1.41   0.067% *  0.1224% (0.90   1.0   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG13  ILE  103  15.27 +/- 3.67   0.009% *  0.0991% (0.73   1.0   0.02   0.02) =   0.000%
          HB    THR   77 - HG13  ILE  103  18.39 +/- 3.07   0.004% *  0.1140% (0.84   1.0   0.02   0.02) =   0.000%
          HA    SER   85 - HG13  ILE  103  17.86 +/- 3.21   0.003% *  0.1140% (0.84   1.0   0.02   0.02) =   0.000%
          HA    THR   39 - HG13  ILE  103  13.96 +/- 0.91   0.007% *  0.0379% (0.28   1.0   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG13  ILE  103  22.09 +/- 2.85   0.001% *  0.0465% (0.34   1.0   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG13  ILE  103  24.07 +/- 2.95   0.001% *  0.0270% (0.20   1.0   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG13  ILE  103  24.70 +/- 1.73   0.000% *  0.0883% (0.65   1.0   0.02   0.02) =   0.000%
          HA    MET   11 - HG13  ILE  103  30.35 +/- 3.60   0.000% *  0.1260% (0.92   1.0   0.02   0.02) =   0.000%
          HA    ALA   12 - HG13  ILE  103  28.77 +/- 3.20   0.000% *  0.1043% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 6.22, residual support = 138.2:
          HN    ILE  103 - HG13  ILE  103   3.96 +/- 0.23  99.905% * 99.4577% (1.00   6.22 138.23) = 100.000%  kept
          HN    GLY  109 - HG13  ILE  103  14.12 +/- 1.08   0.056% *  0.1684% (0.53   0.02   0.02) =   0.000%
          HN    GLN   90 - HG13  ILE  103  17.00 +/- 2.44   0.028% *  0.3027% (0.95   0.02   0.02) =   0.000%
          HN    SER   82 - HG13  ILE  103  19.51 +/- 3.24   0.011% *  0.0712% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3131 (8.60, 0.98, 18.17 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.29, residual support = 138.2:
          HN    ILE  103 - QG2   ILE  103   3.58 +/- 0.09  99.856% * 99.2310% (0.69   6.29 138.23) =  99.999%  kept
          HN    GLY  109 - QG2   ILE  103  11.23 +/- 0.60   0.113% *  0.4432% (0.97   0.02   0.02) =   0.001%
          HN    GLN   90 - QG2   ILE  103  15.03 +/- 2.09   0.028% *  0.2235% (0.49   0.02   0.02) =   0.000%
          HE1   HIS   22 - QG2   ILE  103  21.82 +/- 1.66   0.002% *  0.1022% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3132 (4.62, 1.86, 38.31 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.78, residual support = 22.4:
          HA    LYS+ 102 - HB    ILE  103   4.40 +/- 0.12  99.948% * 98.7662% (0.38   4.78  22.44) = 100.000%  kept
          HA    ALA   20 - HB    ILE  103  20.96 +/- 1.23   0.010% *  1.0160% (0.92   0.02   0.02) =   0.000%
          HA    LEU   71 - HB    ILE  103  16.35 +/- 1.00   0.043% *  0.2178% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.36 A, kept.
 
    Peak 3133 (2.98, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 4.65, residual support = 17.8:
        T HB2   PHE   97 - HB2   LEU  104   3.16 +/- 0.56  93.779% * 96.0220% (0.82 10.00   4.66  17.83) =  99.858%  kept
          QE    LYS+ 106 - HB2   LEU  104   7.08 +/- 1.48   3.373% *  3.7852% (0.78  1.00   0.83   0.02) =   0.142%
          QE    LYS+  99 - HB2   LEU  104   6.18 +/- 1.14   2.791% *  0.0253% (0.22  1.00   0.02  17.35) =   0.001%
          HB3   PHE   60 - HB2   LEU  104  14.55 +/- 1.83   0.041% *  0.0737% (0.63  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   LEU  104  16.31 +/- 1.89   0.016% *  0.0937% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3134 (7.80, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.821, support = 6.39, residual support = 41.5:
          HN    ASP- 105 - HB2   LEU  104   2.16 +/- 0.26 100.000% * 99.8759% (0.82   6.39  41.48) = 100.000%  kept
          HN    ALA   88 - HB2   LEU  104  20.52 +/- 3.07   0.000% *  0.1241% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 7.39, residual support = 219.1:
      O   HN    LEU  104 - HB2   LEU  104   2.60 +/- 0.30  99.990% * 99.7579% (0.36  10.0   7.39 219.06) = 100.000%  kept
          HN    PHE   72 - HB2   LEU  104  13.34 +/- 1.12   0.010% *  0.2421% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 6.88, residual support = 219.1:
      O   HN    LEU  104 - HB3   LEU  104   3.59 +/- 0.26  99.975% * 99.9343% (0.71  10.0   6.88 219.06) = 100.000%  kept
          HN    PHE   72 - HB3   LEU  104  14.71 +/- 1.20   0.025% *  0.0657% (0.46   1.0   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 7.44, residual support = 219.1:
          HN    LEU  104 - HG    LEU  104   3.06 +/- 0.48  99.981% * 99.8238% (0.92   7.44 219.06) = 100.000%  kept
          HN    PHE   72 - HG    LEU  104  13.61 +/- 1.36   0.019% *  0.1762% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3138 (8.33, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.978, support = 1.5, residual support = 17.3:
          HN    LYS+  99 - HG    LEU  104   3.58 +/- 0.74  88.418% * 96.3289% (0.98   1.50  17.35) =  99.823%  kept
          HE1   HIS  122 - HG    LEU  104   8.57 +/- 4.14  11.493% *  1.3074% (1.00   0.02   0.02) =   0.176%
          HN    GLN   30 - HG    LEU  104  17.12 +/- 1.52   0.040% *  0.5875% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG    LEU  104  21.34 +/- 3.36   0.046% *  0.4918% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  14 - HG    LEU  104  22.74 +/- 2.26   0.003% *  1.2844% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 1 structures by 0.13 A, kept.
 
    Peak 3140 (9.36, 0.60, 26.08 ppm):
    6 chemical-shift based assignments, quality = 0.388, support = 6.78, residual support = 212.1:
          HN    LEU  104 - QD1   LEU  104   3.79 +/- 0.57  84.873% * 77.5711% (0.40   6.88 219.06) =  96.108%  kept
          HN    PHE   72 - QD1   LEU   73   5.53 +/- 0.41  12.274% * 21.6976% (0.18   4.30  40.59) =   3.888%  kept
          HN    PHE   72 - QD1   LEU   63   8.27 +/- 1.02   1.925% *  0.1008% (0.18   0.02  18.02) =   0.003%
          HN    PHE   72 - QD1   LEU  104  11.25 +/- 1.22   0.199% *  0.5474% (0.96   0.02   0.02) =   0.002%
          HN    LEU  104 - QD1   LEU   63   9.30 +/- 0.73   0.555% *  0.0415% (0.07   0.02   0.02) =   0.000%
          HN    LEU  104 - QD1   LEU   73  11.04 +/- 0.91   0.175% *  0.0415% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3141 (1.75, 0.60, 26.08 ppm):
    12 chemical-shift based assignments, quality = 0.396, support = 3.07, residual support = 17.3:
        T HB2   LYS+  99 - QD1   LEU  104   2.65 +/- 1.45  92.788% * 97.1108% (0.40 10.00   3.07  17.35) =  99.935%  kept
        T HB    VAL   43 - QD1   LEU  104   9.79 +/- 1.93   4.655% *  1.2428% (0.51 10.00   0.02   0.02) =   0.064%
          HB    VAL   43 - QD1   LEU   73   5.40 +/- 0.76   2.323% *  0.0229% (0.09  1.00   0.02   8.20) =   0.001%
        T HB    ILE   89 - QD1   LEU  104  17.93 +/- 3.37   0.032% *  1.0590% (0.43 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   63  10.51 +/- 1.11   0.041% *  0.1789% (0.07 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   73  11.07 +/- 0.98   0.035% *  0.1789% (0.07 10.00   0.02   0.02) =   0.000%
          HB    VAL   43 - QD1   LEU   63   8.42 +/- 1.25   0.103% *  0.0229% (0.09  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   73  12.50 +/- 1.85   0.012% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   73  13.93 +/- 1.35   0.005% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU  104  22.00 +/- 2.66   0.001% *  0.1059% (0.43  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   63  14.64 +/- 1.82   0.004% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   63  18.80 +/- 1.53   0.001% *  0.0195% (0.08  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 2 structures by 0.36 A, kept.
 
    Peak 3142 (1.76, 0.73, 22.45 ppm):
    12 chemical-shift based assignments, quality = 0.889, support = 2.14, residual support = 17.6:
          HB2   LYS+  99 - QD2   LEU  104   2.94 +/- 1.03  83.062% * 81.8871% (0.90  1.00   2.14  17.35) =  98.468%  kept
          HB3   GLN   17 - QG2   VAL   18   5.05 +/- 0.93   9.429% *  6.8156% (0.04  1.00   4.16  50.10) =   0.930%  kept
        T HB    VAL   43 - QD2   LEU  104   9.94 +/- 2.16   4.997% *  8.2501% (0.97 10.00   0.02   0.02) =   0.597%  kept
        T HB    VAL   43 - QG1   VAL   41   7.00 +/- 0.57   0.359% *  0.4431% (0.05 10.00   0.02   1.82) =   0.002%
          HB2   LYS+  99 - QG1   VAL   41   5.52 +/- 0.67   2.094% *  0.0412% (0.05  1.00   0.02   0.02) =   0.001%
        T HB    VAL   43 - QG2   VAL   18   9.96 +/- 0.82   0.046% *  1.2677% (0.15 10.00   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QG2   VAL   18  14.95 +/- 1.41   0.004% *  0.1178% (0.14  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   VAL   18  16.19 +/- 1.08   0.002% *  0.1213% (0.14  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU  104  22.14 +/- 2.56   0.000% *  0.7891% (0.92  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  18.43 +/- 1.33   0.001% *  0.2132% (0.25  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   41  18.35 +/- 1.61   0.001% *  0.0424% (0.05  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  14.79 +/- 1.24   0.004% *  0.0114% (0.01  1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3144 (1.87, 2.23, 47.73 ppm):
    13 chemical-shift based assignments, quality = 0.723, support = 3.38, residual support = 42.8:
      O T HB3   ASP- 105 - HB2   ASP- 105   1.75 +/- 0.00  99.850% * 98.4679% (0.72  10.0 10.00   3.38  42.75) = 100.000%  kept
          QB    LYS+ 106 - HB2   ASP- 105   5.28 +/- 0.22   0.139% *  0.1263% (0.93   1.0  1.00   0.02  21.58) =   0.000%
          HB    ILE  103 - HB2   ASP- 105   8.88 +/- 0.35   0.006% *  0.0885% (0.65   1.0  1.00   0.02   2.31) =   0.000%
          HB    ILE   56 - HB2   ASP- 105  13.02 +/- 1.82   0.002% *  0.1118% (0.82   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   MET   92 - HB2   ASP- 105  15.69 +/- 0.63   0.000% *  0.4836% (0.36   1.0 10.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP- 105  19.95 +/- 3.31   0.001% *  0.0936% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP- 105  15.46 +/- 2.54   0.000% *  0.0834% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ASP- 105  16.05 +/- 2.44   0.001% *  0.0287% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP- 105  17.66 +/- 1.12   0.000% *  0.0936% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   ASP- 105  19.33 +/- 1.11   0.000% *  0.1118% (0.82   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP- 105  19.07 +/- 1.18   0.000% *  0.0678% (0.50   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP- 105  21.69 +/- 1.26   0.000% *  0.1189% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP- 105  23.73 +/- 1.79   0.000% *  0.1243% (0.91   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3145 (0.25, 2.23, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 1.59, residual support = 5.16:
        T QG2   THR  118 - HB2   ASP- 105   2.86 +/- 0.98 100.000% *100.0000% (0.54 10.00   1.59   5.16) = 100.000%  kept
    Distance limit 3.26 A violated in 1 structures by 0.22 A, kept.
 
    Peak 3146 (0.25, 1.86, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 1.59, residual support = 5.16:
        T QG2   THR  118 - HB3   ASP- 105   3.36 +/- 0.91 100.000% *100.0000% (0.57 10.00   1.59   5.16) = 100.000%  kept
    Distance limit 3.47 A violated in 1 structures by 0.26 A, kept.
 
    Peak 3147 (2.98, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.874, support = 4.12, residual support = 39.4:
          HB2   PHE   97 - HB2   ASP- 105   4.41 +/- 0.73  51.843% * 53.6727% (0.89   4.31  53.46) =  56.013%  kept
          QE    LYS+ 106 - HB2   ASP- 105   4.93 +/- 1.44  47.680% * 45.8274% (0.85   3.88  21.58) =  43.986%  kept
          HB3   PHE   60 - HB2   ASP- 105  12.89 +/- 1.62   0.137% *  0.1912% (0.69   0.02   0.02) =   0.001%
          QE    LYS+  99 - HB2   ASP- 105   9.97 +/- 0.71   0.332% *  0.0657% (0.24   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   ASP- 105  18.39 +/- 1.48   0.008% *  0.2431% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3148 (3.00, 1.86, 47.73 ppm):
    7 chemical-shift based assignments, quality = 0.838, support = 3.66, residual support = 51.4:
        T HB2   PHE   97 - HB3   ASP- 105   3.44 +/- 0.67  86.721% * 67.7091% (0.87 10.00   3.64  53.46) =  93.605%  kept
        T QE    LYS+ 106 - HB3   ASP- 105   5.71 +/- 1.36  12.500% * 32.0903% (0.41 10.00   3.89  21.58) =   6.394%  kept
          QE    LYS+  99 - HB3   ASP- 105   8.73 +/- 0.77   0.600% *  0.0567% (0.73  1.00   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HB3   ASP- 105  11.35 +/- 1.00   0.106% *  0.0195% (0.25  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   ASP- 105  12.74 +/- 1.95   0.055% *  0.0195% (0.25  1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   ASP- 105  16.61 +/- 1.35   0.013% *  0.0350% (0.45  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   ASP- 105  17.74 +/- 1.69   0.006% *  0.0700% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3149 (4.79, 1.86, 47.73 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.18, residual support = 42.8:
      O T HA    ASP- 105 - HB3   ASP- 105   3.00 +/- 0.07  99.998% * 99.8608% (0.87  10.0 10.00   3.18  42.75) = 100.000%  kept
          HB    THR   23 - HB3   ASP- 105  23.85 +/- 1.98   0.000% *  0.0698% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU   80 - HB3   ASP- 105  23.80 +/- 2.36   0.001% *  0.0516% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HB3   ASP- 105  21.82 +/- 2.08   0.001% *  0.0178% (0.15   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3150 (7.80, 1.86, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.63, residual support = 42.8:
      O   HN    ASP- 105 - HB3   ASP- 105   2.69 +/- 0.18  99.999% * 99.9603% (0.95  10.0   4.63  42.75) = 100.000%  kept
          HN    ALA   88 - HB3   ASP- 105  20.53 +/- 2.18   0.001% *  0.0397% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 3.82, residual support = 21.6:
          HN    LYS+ 106 - HB3   ASP- 105   3.83 +/- 0.26  99.670% * 99.5408% (0.18   3.82  21.58) =  99.998%  kept
          HN    VAL   41 - HB3   ASP- 105  10.13 +/- 0.89   0.330% *  0.4592% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.84 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3152 (7.13, 2.23, 47.73 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.23, residual support = 53.5:
          QD    PHE   97 - HB2   ASP- 105   4.26 +/- 1.14  99.891% * 99.2734% (0.87   3.23  53.46) =  99.999%  kept
          HZ3   TRP   87 - HB2   ASP- 105  15.59 +/- 3.51   0.088% *  0.5782% (0.82   0.02   0.02) =   0.001%
          HE3   TRP   49 - HB2   ASP- 105  22.45 +/- 3.65   0.021% *  0.1484% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 6 structures by 0.56 A, kept.
 
    Peak 3153 (7.80, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.895, support = 4.8, residual support = 42.8:
      O   HN    ASP- 105 - HB2   ASP- 105   3.63 +/- 0.23  99.996% * 99.9603% (0.89  10.0   4.80  42.75) = 100.000%  kept
          HN    ALA   88 - HB2   ASP- 105  20.25 +/- 2.25   0.004% *  0.0397% (0.36   1.0   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 3.85, residual support = 21.6:
          HN    LYS+ 106 - HB2   ASP- 105   2.80 +/- 0.30  99.933% * 99.5447% (0.17   3.85  21.58) = 100.000%  kept
          HN    VAL   41 - HB2   ASP- 105  11.32 +/- 1.05   0.067% *  0.4553% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3155 (5.30, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 0.987, residual support = 1.97:
        T HA    MET   96 - HA    LYS+ 106   3.29 +/- 0.51  99.933% * 99.9124% (0.87 10.00   0.99   1.97) = 100.000%  kept
          HA    PHE   72 - HA    LYS+ 106  11.59 +/- 0.54   0.067% *  0.0876% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3156 (7.15, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 3.39, residual support = 8.66:
          QD    PHE   97 - HA    LYS+ 106   4.14 +/- 1.18  99.331% * 99.5079% (0.45   3.39   8.66) =  99.997%  kept
          HZ3   TRP   87 - HA    LYS+ 106  12.64 +/- 2.93   0.669% *  0.4921% (0.38   0.02   0.02) =   0.003%
    Distance limit 3.81 A violated in 5 structures by 0.62 A, kept.
 
    Peak 3157 (8.40, 5.63, 56.31 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 2.47, residual support = 8.66:
          HN    PHE   97 - HA    LYS+ 106   3.92 +/- 0.49  99.188% * 98.9521% (0.90   2.47   8.66) =  99.994%  kept
          HN    LEU  115 - HA    LYS+ 106   9.33 +/- 0.37   0.710% *  0.7999% (0.90   0.02   0.02) =   0.006%
          HN    ASP- 113 - HA    LYS+ 106  12.83 +/- 0.47   0.103% *  0.2480% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 2 structures by 0.29 A, kept.
 
    Peak 3158 (8.98, 5.63, 56.31 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 5.18, residual support = 135.8:
      O   HN    LYS+ 106 - HA    LYS+ 106   2.89 +/- 0.03 100.000% *100.0000% (0.61  10.0   5.18 135.79) = 100.000%  kept
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3159 (9.57, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.58, residual support = 25.0:
      O   HN    VAL  107 - HA    LYS+ 106   2.24 +/- 0.05  99.998% * 99.8992% (0.99  10.0   4.58  25.04) = 100.000%  kept
          HN    GLY   51 - HA    LYS+ 106  18.19 +/- 2.58   0.002% *  0.1008% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 2.75 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 = 5.35, residual support = 135.8:
      O   HN    LYS+ 106 - QB    LYS+ 106   3.25 +/- 0.14  99.879% * 99.9120% (0.18  10.0   5.35 135.79) = 100.000%  kept
          HN    VAL   41 - QB    LYS+ 106  10.30 +/- 0.88   0.121% *  0.0880% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3161 (9.57, 1.87, 37.27 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 5.09, residual support = 25.0:
          HN    VAL  107 - QB    LYS+ 106   3.13 +/- 0.15  99.965% * 99.6052% (0.99   5.09  25.04) = 100.000%  kept
          HN    GLY   51 - QB    LYS+ 106  16.30 +/- 2.45   0.035% *  0.3948% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 5.89, residual support = 135.8:
      O T HG3   LYS+ 106 - QB    LYS+ 106   2.43 +/- 0.06  99.715% * 94.0497% (0.61  10.0 10.00   5.89 135.79) =  99.998%  kept
        T QB    LEU   98 - QB    LYS+ 106   7.44 +/- 0.85   0.154% *  1.1260% (0.73   1.0 10.00   0.02   0.02) =   0.002%
        T HG3   LYS+ 102 - QB    LYS+ 106  11.21 +/- 1.39   0.015% *  1.2416% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QB    LYS+ 106   9.92 +/- 0.84   0.024% *  0.1391% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+ 106   9.63 +/- 1.50   0.042% *  0.0637% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 106  11.91 +/- 1.12   0.009% *  0.1295% (0.84   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 106  17.56 +/- 0.86   0.001% *  1.3906% (0.90   1.0 10.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 106  18.28 +/- 0.83   0.001% *  1.4668% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 106   9.51 +/- 0.56   0.030% *  0.0210% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+ 106  13.47 +/- 0.54   0.004% *  0.1126% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 106  14.66 +/- 0.86   0.002% *  0.0695% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+ 106  15.83 +/- 2.84   0.002% *  0.0431% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 106  22.16 +/- 2.16   0.000% *  0.1467% (0.95   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3163 (1.03, 1.87, 37.27 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.67, residual support = 5.36:
          QG2   VAL  108 - QB    LYS+ 106   3.01 +/- 0.13  99.155% * 98.4596% (1.00   2.67   5.36) =  99.994%  kept
          HB2   LEU  104 - QB    LYS+ 106   6.94 +/- 0.26   0.697% *  0.7240% (0.98   0.02   0.02) =   0.005%
          QD1   ILE  119 - QB    LYS+ 106   9.47 +/- 0.93   0.132% *  0.5645% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - QB    LYS+ 106  13.36 +/- 1.19   0.016% *  0.2520% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3164 (1.16, 1.87, 37.27 ppm):
    6 chemical-shift based assignments, quality = 0.581, support = 3.15, residual support = 15.8:
          QG2   VAL  107 - QB    LYS+ 106   5.31 +/- 0.37   7.532% * 93.4527% (0.76   4.65  25.04) =  61.496%  kept
          QG2   THR   94 - QB    LYS+ 106   3.45 +/- 0.76  79.163% *  5.4801% (0.28   0.75   0.94) =  37.900%  kept
          HG13  ILE  103 - QB    LYS+ 106   5.18 +/- 0.91  13.070% *  0.5244% (1.00   0.02   0.02) =   0.599%  kept
          HG2   LYS+ 121 - QB    LYS+ 106  10.10 +/- 1.54   0.202% *  0.2765% (0.53   0.02   0.02) =   0.005%
          HB3   LYS+ 112 - QB    LYS+ 106  13.68 +/- 0.66   0.021% *  0.1622% (0.31   0.02   0.02) =   0.000%
          QB    ALA   20 - QB    LYS+ 106  15.24 +/- 0.97   0.012% *  0.1040% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3165 (7.32, 1.55, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.133, support = 5.72, residual support = 108.8:
          HN    LYS+  81 - QG    LYS+  81   2.45 +/- 0.36  99.868% * 84.1742% (0.13   5.72 108.77) =  99.998%  kept
          HE3   TRP   27 - HG2   LYS+  33  11.68 +/- 1.80   0.017% *  2.1685% (0.98   0.02   0.02) =   0.000%
          QE    PHE   95 - HG2   LYS+ 106  10.22 +/- 1.24   0.048% *  0.7596% (0.34   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG    LYS+  81  12.00 +/- 2.61   0.018% *  1.0382% (0.47   0.02   0.02) =   0.000%
          HN    THR   23 - QG    LYS+  81  10.12 +/- 1.32   0.029% *  0.5573% (0.25   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  14.84 +/- 1.66   0.005% *  1.3151% (0.59   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+  33  13.72 +/- 0.77   0.005% *  1.1639% (0.53   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  16.20 +/- 1.84   0.002% *  1.2692% (0.57   0.02   0.02) =   0.000%
          QE    PHE   95 - QG    LYS+  81  16.24 +/- 1.60   0.002% *  0.5997% (0.27   0.02   0.02) =   0.000%
          QE    PHE   95 - HG2   LYS+  33  17.50 +/- 2.03   0.001% *  1.2525% (0.57   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  20.12 +/- 2.31   0.001% *  1.0020% (0.45   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+  33  16.92 +/- 2.13   0.001% *  0.4378% (0.20   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+ 106  20.69 +/- 1.69   0.001% *  0.7059% (0.32   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+ 106  17.61 +/- 1.12   0.001% *  0.2655% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  21.33 +/- 1.96   0.000% *  0.6151% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  21.84 +/- 3.11   0.001% *  0.3730% (0.17   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  26.61 +/- 2.88   0.000% *  2.0928% (0.95   0.02   0.02) =   0.000%
          HN    LEU   67 - QG    LYS+  81  24.70 +/- 0.79   0.000% *  0.2096% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3166 (8.00, 1.55, 25.23 ppm):
    9 chemical-shift based assignments, quality = 0.27, support = 0.628, residual support = 0.626:
          HN    GLU-  79 - QG    LYS+  81   5.58 +/- 1.07  91.035% * 78.4958% (0.27   0.63   0.63) =  99.706%  kept
          HN    VAL   70 - HG2   LYS+  33  12.15 +/- 2.35   3.164% *  4.4786% (0.49   0.02   0.02) =   0.198%
          HN    THR   94 - HG2   LYS+ 106  10.16 +/- 1.32   4.849% *  1.1043% (0.12   0.02   0.94) =   0.075%
          HN    THR   94 - QG    LYS+  81  14.26 +/- 1.41   0.607% *  0.8718% (0.09   0.02   0.02) =   0.007%
          HN    VAL   70 - HG2   LYS+ 106  17.72 +/- 1.22   0.143% *  2.7161% (0.30   0.02   0.02) =   0.005%
          HN    GLU-  79 - HG2   LYS+ 106  20.86 +/- 2.74   0.078% *  3.1592% (0.34   0.02   0.02) =   0.003%
          HN    GLU-  79 - HG2   LYS+  33  21.21 +/- 1.01   0.045% *  5.2091% (0.57   0.02   0.02) =   0.003%
          HN    THR   94 - HG2   LYS+  33  21.12 +/- 1.47   0.059% *  1.8208% (0.20   0.02   0.02) =   0.001%
          HN    VAL   70 - QG    LYS+  81  24.34 +/- 0.70   0.020% *  2.1442% (0.23   0.02   0.02) =   0.001%
    Distance limit 3.91 A violated in 14 structures by 1.68 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 3167 (5.66, 1.37, 25.37 ppm):
    4 chemical-shift based assignments, quality = 0.175, support = 5.66, residual support = 135.8:
      O   HA    LYS+ 106 - HG3   LYS+ 106   3.27 +/- 0.29  99.959% * 99.8764% (0.18  10.0   5.66 135.79) = 100.000%  kept
          HA    LYS+ 106 - HG3   LYS+ 102  13.09 +/- 1.40   0.034% *  0.0182% (0.03   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  65  17.65 +/- 0.79   0.005% *  0.0419% (0.07   1.0   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  33  19.97 +/- 0.71   0.002% *  0.0635% (0.11   1.0   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3168 (3.19, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.31, residual support = 45.5:
        T HB2   PHE   95 - HB    VAL  107   2.67 +/- 0.57 100.000% *100.0000% (0.69 10.00   4.31  45.52) = 100.000%  kept
    Distance limit 3.18 A violated in 1 structures by 0.08 A, kept.
 
    Peak 3169 (1.15, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.72, support = 3.14, residual support = 57.9:
      O T QG2   VAL  107 - HB    VAL  107   2.13 +/- 0.01  99.843% * 99.7352% (0.72  10.0 10.00   3.14  57.91) = 100.000%  kept
          HG13  ILE  119 - HB    VAL  107   6.87 +/- 1.08   0.141% *  0.0199% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB    VAL  107  10.48 +/- 0.99   0.009% *  0.0971% (0.70   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB    VAL  107  10.96 +/- 0.95   0.006% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL  107  16.16 +/- 1.18   0.001% *  0.0651% (0.47   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.87 +/- 0.78   0.000% *  0.0176% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3171 (1.10, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.712, support = 3.62, residual support = 57.9:
      O T QG1   VAL  107 - HB    VAL  107   2.12 +/- 0.02  99.838% * 99.7552% (0.71  10.0 10.00   3.62  57.91) = 100.000%  kept
          HG13  ILE  119 - HB    VAL  107   6.87 +/- 1.08   0.141% *  0.0227% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL  107  10.69 +/- 1.80   0.019% *  0.0850% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    VAL  107  15.79 +/- 1.58   0.001% *  0.0939% (0.67   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    VAL  107  17.31 +/- 1.34   0.000% *  0.0178% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.87 +/- 0.78   0.000% *  0.0254% (0.18   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3172 (0.59, 2.40, 36.05 ppm):
    7 chemical-shift based assignments, quality = 0.673, support = 0.615, residual support = 4.0:
          QD1   LEU   63 - HB    VAL  107   5.22 +/- 1.54  52.833% * 32.2909% (0.71   0.49   0.43) =  47.733%  kept
          QD2   LEU  115 - HB    VAL  107   5.53 +/- 0.84  36.156% * 46.8489% (0.67   0.75   7.95) =  47.393%  kept
          QD2   LEU   63 - HB    VAL  107   6.70 +/- 1.53  10.168% * 17.0528% (0.33   0.56   0.43) =   4.851%  kept
          QD1   LEU  104 - HB    VAL  107  10.46 +/- 0.97   0.572% *  0.9296% (0.50   0.02   0.02) =   0.015%
          QD1   LEU   73 - HB    VAL  107  13.01 +/- 0.78   0.131% *  1.3266% (0.71   0.02   0.02) =   0.005%
          QD2   LEU   80 - HB    VAL  107  15.59 +/- 1.87   0.055% *  1.2137% (0.65   0.02   0.02) =   0.002%
          QG1   VAL   83 - HB    VAL  107  14.48 +/- 1.47   0.084% *  0.3375% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.92 A violated in 1 structures by 0.36 A, kept.
 
    Peak 3173 (7.03, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.84, residual support = 45.5:
          QD    PHE   95 - HB    VAL  107   2.71 +/- 0.82  99.892% * 99.8335% (0.63   3.84  45.52) = 100.000%  kept
          HN    ALA   47 - HB    VAL  107  12.96 +/- 1.73   0.108% *  0.1665% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 1 structures by 0.08 A, kept.
 
    Peak 3174 (7.15, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.325, support = 0.02, residual support = 2.46:
          QD    PHE   97 - HB    VAL  107   6.54 +/- 1.10  98.875% * 54.4328% (0.33   0.02   2.48) =  99.057%  kept
          HZ3   TRP   87 - HB    VAL  107  15.20 +/- 2.19   1.125% * 45.5672% (0.27   0.02   0.02) =   0.943%  kept
    Distance limit 3.75 A violated in 20 structures by 2.78 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 = 57.9:
      O   HN    VAL  107 - HB    VAL  107   2.43 +/- 0.31  99.998% * 99.8992% (0.72  10.0   3.33  57.91) = 100.000%  kept
          HN    GLY   51 - HB    VAL  107  15.55 +/- 1.69   0.002% *  0.1008% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3176 (9.86, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.47, support = 3.24, residual support = 45.5:
          HN    PHE   95 - HB    VAL  107   3.69 +/- 0.65 100.000% *100.0000% (0.47   3.24  45.52) = 100.000%  kept
    Distance limit 4.12 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3177 (1.15, 1.09, 63.87 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 4.0, residual support = 57.9:
      O   QG2   VAL  107 - QG1   VAL  107   2.07 +/- 0.04  98.920% * 99.3994% (0.99  10.0  1.00   4.00  57.91) =  99.998%  kept
        T HG13  ILE  119 - QG1   VAL  107   4.86 +/- 0.76   1.015% *  0.1985% (0.20   1.0 10.00   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - QG1   VAL  107   7.42 +/- 0.52   0.053% *  0.0968% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG1   VAL  107   9.69 +/- 0.87   0.011% *  0.0649% (0.65   1.0  1.00   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QG1   VAL  107  16.72 +/- 0.85   0.000% *  0.1756% (0.18   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QG1   VAL  107  14.55 +/- 0.95   0.001% *  0.0649% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3178 (2.39, 1.09, 63.87 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.62, residual support = 57.9:
      O T HB    VAL  107 - QG1   VAL  107   2.12 +/- 0.02  99.725% * 99.5757% (0.65  10.0 10.00   3.62  57.91) = 100.000%  kept
          HB2   GLN  116 - QG1   VAL  107   6.21 +/- 0.59   0.194% *  0.0270% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QG1   VAL  107   7.60 +/- 1.04   0.070% *  0.0384% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG1   VAL  107  10.38 +/- 1.16   0.010% *  0.0384% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG1   VAL  107  17.59 +/- 1.74   0.000% *  0.1286% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG1   VAL  107  19.53 +/- 0.99   0.000% *  0.1536% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG1   VAL  107  16.01 +/- 0.92   0.001% *  0.0384% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3179 (2.39, 1.15, 62.58 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 3.14, residual support = 57.9:
      O T HB    VAL  107 - QG2   VAL  107   2.13 +/- 0.01  99.684% * 99.2330% (0.65  10.0 10.00   3.14  57.91) =  99.999%  kept
        T QE    LYS+ 112 - QG2   VAL  107   6.70 +/- 1.07   0.165% *  0.3825% (0.25   1.0 10.00   0.02   0.02) =   0.001%
          HB2   GLN  116 - QG2   VAL  107   6.69 +/- 0.56   0.115% *  0.0269% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL  107   8.79 +/- 1.16   0.035% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG2   VAL  107  16.40 +/- 1.84   0.001% *  0.1281% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL  107  20.01 +/- 1.26   0.000% *  0.1531% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL  107  17.68 +/- 0.82   0.000% *  0.0382% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3180 (2.01, 1.15, 62.58 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 1.74, residual support = 5.3:
        T QB    GLU- 114 - QG2   VAL  107   3.40 +/- 0.62  77.816% * 98.5355% (0.65 10.00   1.74   5.30) =  99.946%  kept
          HB2   LYS+ 111 - QG2   VAL  107   5.31 +/- 1.78  20.198% *  0.1738% (0.99  1.00   0.02   0.02) =   0.046%
        T HB    ILE  119 - QG2   VAL  107   6.74 +/- 0.70   1.923% *  0.3071% (0.18 10.00   0.02   0.02) =   0.008%
          HB2   GLN   17 - QG2   VAL  107  15.84 +/- 1.17   0.010% *  0.1754% (1.00  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG2   VAL  107  15.21 +/- 1.89   0.014% *  0.0854% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  107  15.88 +/- 1.14   0.008% *  0.1404% (0.80  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG2   VAL  107  15.27 +/- 1.04   0.011% *  0.0993% (0.57  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   VAL  107  16.68 +/- 0.99   0.006% *  0.1754% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   VAL  107  21.07 +/- 1.32   0.002% *  0.1659% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  107  18.43 +/- 1.22   0.003% *  0.0721% (0.41  1.00   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  107  16.96 +/- 1.16   0.006% *  0.0307% (0.18  1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  107  18.50 +/- 0.59   0.003% *  0.0390% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 6 structures by 0.54 A, kept.
 
    Peak 3181 (0.59, 1.09, 63.87 ppm):
    7 chemical-shift based assignments, quality = 0.942, support = 1.11, residual support = 2.39:
        T QD1   LEU   63 - QG1   VAL  107   4.51 +/- 1.40  37.403% * 64.9734% (0.98 10.00   0.75   0.43) =  69.628%  kept
          QD2   LEU  115 - QG1   VAL  107   3.89 +/- 0.46  50.810% * 17.8400% (0.92  1.00   2.19   7.95) =  25.971%  kept
        T QD2   LEU   63 - QG1   VAL  107   5.45 +/- 1.50  11.213% * 13.6405% (0.45 10.00   0.34   0.43) =   4.382%  kept
        T QD1   LEU  104 - QG1   VAL  107   8.57 +/- 0.75   0.461% *  1.2142% (0.69 10.00   0.02   0.02) =   0.016%
        T QD1   LEU   73 - QG1   VAL  107  11.87 +/- 0.77   0.059% *  1.7326% (0.98 10.00   0.02   0.02) =   0.003%
        T QG1   VAL   83 - QG1   VAL  107  13.39 +/- 1.26   0.031% *  0.4408% (0.25 10.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL  107  14.31 +/- 1.72   0.022% *  0.1585% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 3 structures by 0.53 A, kept.
 
    Peak 3182 (0.46, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 1.31, residual support = 7.95:
          QD1   LEU  115 - QG2   VAL  107   3.51 +/- 1.10  98.839% * 97.7459% (0.38   1.31   7.95) =  99.973%  kept
          QG1   VAL   75 - QG2   VAL  107  10.06 +/- 1.12   1.161% *  2.2541% (0.57   0.02   0.02) =   0.027%
    Distance limit 3.59 A violated in 4 structures by 0.39 A, kept.
 
    Peak 3183 (0.70, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.866, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - QG2   VAL  107  10.08 +/- 1.37  83.482% * 58.0948% (0.90   0.02   0.02) =  87.510%  kept
          QG2   ILE   19 - QG2   VAL  107  13.59 +/- 1.04  16.518% * 41.9052% (0.65   0.02   0.02) =  12.490%  kept
    Distance limit 3.27 A violated in 20 structures by 6.47 A, eliminated.
    Peak unassigned.
 
    Peak 3184 (4.50, 1.15, 62.58 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 3.56, residual support = 57.9:
      O T HA    VAL  107 - QG2   VAL  107   2.70 +/- 0.22  98.313% * 99.4123% (0.45  10.0 10.00   3.56  57.91) =  99.999%  kept
          HA    LYS+ 111 - QG2   VAL  107   5.58 +/- 0.99   1.582% *  0.0756% (0.34   1.0  1.00   0.02   0.02) =   0.001%
          HA    PRO   52 - QG2   VAL  107   9.78 +/- 1.49   0.067% *  0.1923% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QG2   VAL  107  10.92 +/- 0.91   0.034% *  0.1345% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   VAL  107  16.35 +/- 1.09   0.003% *  0.1852% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3185 (2.07, 1.09, 63.87 ppm):
    10 chemical-shift based assignments, quality = 0.313, support = 0.0199, residual support = 0.944:
        T HB    ILE  119 - QG1   VAL  107   5.34 +/- 0.68  54.890% * 33.0939% (0.25 10.00   0.02   0.02) =  83.503%  kept
          HB2   PRO   93 - QG1   VAL  107   8.54 +/- 1.90  12.255% * 11.0857% (0.84  1.00   0.02   0.02) =   6.245%  kept
          HB    VAL  108 - QG1   VAL  107   6.01 +/- 0.26  22.042% *  5.9502% (0.45  1.00   0.02  15.34) =   6.029%  kept
          HG2   PRO   58 - QG1   VAL  107   8.04 +/- 1.91  10.033% *  8.5857% (0.65  1.00   0.02   0.02) =   3.960%  kept
          HG3   PRO   52 - QG1   VAL  107  12.40 +/- 1.90   0.381% *  8.5857% (0.65  1.00   0.02   0.02) =   0.150%
          HB2   ARG+  54 - QG1   VAL  107  12.75 +/- 1.70   0.286% *  6.9827% (0.53  1.00   0.02   0.02) =   0.092%
          HB2   GLN   30 - QG1   VAL  107  16.74 +/- 0.95   0.049% *  3.3094% (0.25  1.00   0.02   0.02) =   0.008%
          HB2   GLU-  14 - QG1   VAL  107  20.30 +/- 1.30   0.015% *  9.6374% (0.73  1.00   0.02   0.02) =   0.007%
          HB3   GLU- 100 - QG1   VAL  107  16.89 +/- 0.71   0.046% *  2.6265% (0.20  1.00   0.02   0.02) =   0.006%
          HG2   MET   11 - QG1   VAL  107  27.57 +/- 1.82   0.003% * 10.1428% (0.76  1.00   0.02   0.02) =   0.001%
    Distance limit 3.27 A violated in 17 structures by 1.31 A, eliminated.
    Peak unassigned.
 
    Peak 3186 (4.14, 1.09, 63.87 ppm):
    8 chemical-shift based assignments, quality = 0.898, support = 1.14, residual support = 7.88:
          HA    LEU  115 - QG1   VAL  107   1.96 +/- 0.38  97.183% * 46.3437% (0.90   1.14   7.95) =  97.015%  kept
          HA    GLU- 114 - QG1   VAL  107   4.40 +/- 0.76   2.772% * 49.9881% (0.92   1.19   5.30) =   2.985%  kept
          HA    ARG+  54 - QG1   VAL  107  11.49 +/- 1.84   0.042% *  0.3100% (0.34   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG1   VAL  107  15.35 +/- 0.87   0.001% *  0.9009% (0.99   0.02   0.02) =   0.000%
          HA    ALA   34 - QG1   VAL  107  17.12 +/- 0.92   0.000% *  0.8909% (0.98   0.02   0.02) =   0.000%
          HA    ALA  124 - QG1   VAL  107  13.14 +/- 0.73   0.002% *  0.2266% (0.25   0.02   0.02) =   0.000%
          HA    ASN   28 - QG1   VAL  107  18.07 +/- 1.15   0.000% *  0.7884% (0.87   0.02   0.02) =   0.000%
          HA    THR   26 - QG1   VAL  107  20.34 +/- 1.05   0.000% *  0.5513% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3187 (4.50, 1.09, 63.87 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 4.31, residual support = 57.9:
      O T HA    VAL  107 - QG1   VAL  107   2.24 +/- 0.25  99.838% * 99.4123% (0.45  10.0 10.00   4.31  57.91) = 100.000%  kept
          HA    LYS+ 111 - QG1   VAL  107   7.09 +/- 0.80   0.145% *  0.0756% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   52 - QG1   VAL  107  11.66 +/- 1.57   0.011% *  0.1923% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   91 - QG1   VAL  107  12.98 +/- 0.84   0.005% *  0.1345% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - QG1   VAL  107  16.49 +/- 1.01   0.001% *  0.1852% (0.84   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3188 (7.17, 1.09, 63.87 ppm):
    4 chemical-shift based assignments, quality = 0.487, support = 0.564, residual support = 2.53:
          QD    PHE   59 - QG1   VAL  107   3.73 +/- 0.99  99.770% * 85.7186% (0.49   0.56   2.53) =  99.986%  kept
          HH2   TRP   49 - QG1   VAL  107  14.56 +/- 2.10   0.149% *  6.0262% (0.97   0.02   0.02) =   0.011%
          HE21  GLN   30 - QG1   VAL  107  15.93 +/- 1.20   0.040% *  5.2157% (0.84   0.02   0.02) =   0.002%
          HD1   TRP   27 - QG1   VAL  107  16.03 +/- 1.00   0.041% *  3.0394% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.13 A violated in 7 structures by 0.76 A, kept.
 
    Peak 3189 (7.02, 1.15, 62.58 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 3.85, residual support = 45.5:
          QD    PHE   95 - QG2   VAL  107   2.68 +/- 0.58  99.644% * 99.4873% (0.95   3.85  45.52) =  99.999%  kept
          HN    ALA   47 - QG2   VAL  107  10.34 +/- 1.50   0.153% *  0.4171% (0.76   0.02   0.02) =   0.001%
          QE    PHE   72 - QG2   VAL  107   9.60 +/- 1.57   0.203% *  0.0956% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3190 (8.40, 1.15, 62.58 ppm):
    3 chemical-shift based assignments, quality = 0.893, support = 1.81, residual support = 7.91:
          HN    LEU  115 - QG2   VAL  107   3.33 +/- 0.55  96.205% * 81.7334% (0.90   1.81   7.95) =  99.465%  kept
          HN    ASP- 113 - QG2   VAL  107   6.28 +/- 0.63   2.363% * 17.3644% (0.28   1.24   0.02) =   0.519%  kept
          HN    PHE   97 - QG2   VAL  107   8.08 +/- 0.66   1.432% *  0.9022% (0.90   0.02   2.48) =   0.016%
    Distance limit 3.81 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3191 (9.15, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 3.64, residual support = 15.3:
          HN    VAL  108 - QG2   VAL  107   3.37 +/- 0.27  99.250% * 99.3374% (0.57   3.64  15.34) =  99.995%  kept
          HN    VAL   43 - QG2   VAL  107   8.95 +/- 0.94   0.750% *  0.6626% (0.69   0.02   0.02) =   0.005%
    Distance limit 3.38 A violated in 1 structures by 0.09 A, kept.
 
    Peak 3192 (9.57, 1.09, 63.87 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.84, residual support = 57.9:
          HN    VAL  107 - QG1   VAL  107   3.04 +/- 0.41  99.948% * 99.4776% (0.99   3.84  57.91) = 100.000%  kept
          HN    GLY   51 - QG1   VAL  107  14.01 +/- 1.82   0.052% *  0.5224% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3193 (9.18, 1.09, 63.87 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.02, residual support = 0.02:
          HN    VAL   43 - QG1   VAL  107   8.68 +/- 0.77 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.44 A violated in 20 structures by 5.24 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 = 6.39:
      O   HN    ALA  110 - HA2   GLY  109   2.97 +/- 0.21  99.965% * 99.9027% (0.99  10.0   2.20   6.39) = 100.000%  kept
          HN    PHE   45 - HA2   GLY  109  11.81 +/- 1.56   0.035% *  0.0973% (0.97   1.0   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3195 (8.62, 3.67, 43.34 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 2.2, residual support = 9.21:
      O   HN    GLY  109 - HA2   GLY  109   2.56 +/- 0.26  99.993% * 99.5895% (0.53  10.0   2.20   9.21) = 100.000%  kept
          HN    GLN   90 - HA2   GLY  109  13.38 +/- 2.19   0.006% *  0.1791% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ILE  103 - HA2   GLY  109  19.09 +/- 0.66   0.001% *  0.1893% (1.00   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY  109  22.55 +/- 2.79   0.000% *  0.0421% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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   2.94 +/- 0.50  99.944% * 99.8788% (0.57  10.0   4.08  62.12) = 100.000%  kept
          HN    VAL   43 - HB    VAL  108  11.48 +/- 1.12   0.056% *  0.1212% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.14 A, kept.
 
    Peak 3197 (8.63, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.135, support = 3.09, residual support = 7.61:
          HN    GLY  109 - QG1   VAL  108   2.50 +/- 0.21  99.939% * 89.7984% (0.14   3.09   7.61) =  99.998%  kept
          HN    GLN   90 - QG1   VAL  108   9.91 +/- 1.89   0.053% *  3.7235% (0.87   0.02   0.02) =   0.002%
          HN    ILE  103 - QG1   VAL  108  12.99 +/- 0.67   0.006% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    SER   82 - QG1   VAL  108  17.08 +/- 2.43   0.002% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    GLY   16 - QG1   VAL  108  21.16 +/- 0.97   0.000% *  0.5809% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3198 (9.15, 0.89, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 4.52, residual support = 62.1:
          HN    VAL  108 - QG1   VAL  108   3.58 +/- 0.07  99.864% * 99.4664% (0.57   4.52  62.12) =  99.999%  kept
          HN    VAL   43 - QG1   VAL  108  11.07 +/- 1.01   0.136% *  0.5336% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.07 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   2.61 +/- 0.62  99.768% * 99.4087% (0.57   4.08  62.12) =  99.999%  kept
          HN    VAL   43 - QG2   VAL  108   9.07 +/- 1.14   0.232% *  0.5913% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3200 (8.65, 1.03, 20.80 ppm):
    3 chemical-shift based assignments, quality = 0.797, support = 0.02, residual support = 0.02:
          HN    SER  117 - QG2   VAL  108   9.51 +/- 1.46  90.504% * 32.6470% (0.80   0.02   0.02) =  91.143%  kept
          HN    SER   82 - QG2   VAL  108  16.77 +/- 2.61   7.629% * 28.0060% (0.69   0.02   0.02) =   6.591%  kept
          HN    GLY   16 - QG2   VAL  108  19.42 +/- 1.26   1.867% * 39.3470% (0.97   0.02   0.02) =   2.266%  kept
    Distance limit 4.25 A violated in 20 structures by 5.07 A, eliminated.
    Peak unassigned.
 
    Peak 3201 (5.58, 0.89, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 0.02, residual support = 0.02:
          HA    LEU   73 - QG1   VAL  108  15.95 +/- 1.29 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 3.82 A violated in 20 structures by 12.14 A, eliminated.
    Peak unassigned.
 
    Peak 3202 (5.60, 1.03, 20.80 ppm):
    1 chemical-shift based assignment, quality = 0.278, support = 1.42, residual support = 5.36:
          HA    LYS+ 106 - QG2   VAL  108   4.74 +/- 0.10 100.000% *100.0000% (0.28   1.42   5.36) = 100.000%  kept
    Distance limit 3.97 A violated in 2 structures by 0.77 A, kept.
 
    Peak 3203 (1.35, 1.53, 33.52 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 6.57, residual support = 315.4:
      O   HG2   LYS+ 111 - HB3   LYS+ 111   2.40 +/- 0.19  99.112% * 98.2964% (0.69  10.0  1.00   6.57 315.37) = 100.000%  kept
          HB2   LYS+ 112 - HB3   LYS+ 111   6.09 +/- 0.82   0.820% *  0.0251% (0.18   1.0  1.00   0.02  28.11) =   0.000%
          HB3   PRO   93 - HB3   LYS+ 111   9.89 +/- 1.93   0.049% *  0.1146% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB3   LYS+ 111  12.67 +/- 2.59   0.010% *  0.3568% (0.25   1.0 10.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 111  14.46 +/- 2.14   0.003% *  0.1428% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+ 111  14.26 +/- 1.67   0.003% *  0.1381% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 111  18.01 +/- 2.20   0.001% *  0.1195% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 111  18.47 +/- 0.99   0.001% *  0.1403% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 111  19.40 +/- 2.33   0.000% *  0.1321% (0.92   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB3   LYS+ 111  23.01 +/- 2.98   0.000% *  0.1937% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+ 111  23.19 +/- 2.67   0.000% *  0.1283% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LYS+ 111  23.49 +/- 2.04   0.000% *  0.0588% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+ 111  26.61 +/- 2.23   0.000% *  0.1094% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LYS+ 111  29.85 +/- 2.32   0.000% *  0.0442% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3204 (1.16, 1.53, 33.52 ppm):
    6 chemical-shift based assignments, quality = 0.323, support = 3.29, residual support = 27.2:
          HB3   LYS+ 112 - HB3   LYS+ 111   6.12 +/- 1.54  30.733% * 87.4775% (0.31  1.00   3.39  28.11) =  96.836%  kept
          QG2   VAL  107 - HB3   LYS+ 111   4.81 +/- 2.02  68.218% *  1.2762% (0.76  1.00   0.02   0.02) =   3.136%  kept
          QG2   THR   94 - HB3   LYS+ 111   9.04 +/- 1.76   0.997% *  0.4643% (0.28  1.00   0.02   0.02) =   0.017%
        T HG2   LYS+ 121 - HB3   LYS+ 111  14.52 +/- 2.22   0.032% *  8.7855% (0.53 10.00   0.02   0.02) =   0.010%
          HG13  ILE  103 - HB3   LYS+ 111  17.13 +/- 2.89   0.013% *  1.6662% (1.00  1.00   0.02   0.02) =   0.001%
          QB    ALA   20 - HB3   LYS+ 111  20.47 +/- 2.11   0.006% *  0.3305% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 3 structures by 0.55 A, kept.
 
    Peak 3205 (4.53, 1.53, 33.52 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.96, residual support = 315.4:
      O   HA    LYS+ 111 - HB3   LYS+ 111   2.89 +/- 0.15  98.565% * 99.9336% (0.97  10.0   6.97 315.37) = 100.000%  kept
          HA    VAL  108 - HB3   LYS+ 111   7.10 +/- 1.78   1.387% *  0.0160% (0.15   1.0   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   LYS+ 111  11.90 +/- 3.06   0.048% *  0.0504% (0.49   1.0   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3206 (7.57, 1.53, 33.52 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.5, residual support = 315.4:
      O   HN    LYS+ 111 - HB3   LYS+ 111   2.73 +/- 0.55  99.859% * 99.6823% (0.73  10.0   5.50 315.37) = 100.000%  kept
          HN    ILE   56 - HB3   LYS+ 111  10.50 +/- 2.24   0.133% *  0.0468% (0.34   1.0   0.02   2.11) =   0.000%
          HN    LEU   63 - HB3   LYS+ 111  14.38 +/- 1.24   0.007% *  0.0342% (0.25   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LYS+ 111  22.32 +/- 2.59   0.000% *  0.0997% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LYS+ 111  34.02 +/- 2.35   0.000% *  0.1370% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3207 (7.58, 2.02, 33.52 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 7.06, residual support = 315.4:
      O   HN    LYS+ 111 - HB2   LYS+ 111   3.09 +/- 0.63  98.839% * 99.5678% (1.00  10.0   7.06 315.37) = 100.000%  kept
          HN    ILE   56 - HB2   LYS+ 111  10.91 +/- 2.42   0.113% *  0.0834% (0.84   1.0   0.02   2.11) =   0.000%
          HD21  ASN   28 - HG3   GLN   30   8.18 +/- 1.04   0.873% *  0.0031% (0.03   1.0   0.02   8.35) =   0.000%
          HE21  GLN   32 - HG3   GLN   30  10.27 +/- 0.83   0.147% *  0.0146% (0.15   1.0   0.02   1.61) =   0.000%
          HN    LEU   63 - HB2   LYS+ 111  14.80 +/- 1.40   0.015% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   GLN   30  17.00 +/- 1.34   0.007% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LYS+ 111  22.94 +/- 2.48   0.001% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HG3   GLN   30  18.58 +/- 1.32   0.004% *  0.0146% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HG3   GLN   30  23.80 +/- 1.52   0.001% *  0.0168% (0.17   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG3   GLN   30  26.32 +/- 2.33   0.001% *  0.0200% (0.20   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LYS+ 111  26.48 +/- 2.62   0.001% *  0.0154% (0.15   1.0   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LYS+ 111  34.57 +/- 2.49   0.000% *  0.0725% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3208 (7.61, 1.33, 24.92 ppm):
    7 chemical-shift based assignments, quality = 0.175, support = 6.51, residual support = 315.4:
          HN    LYS+ 111 - HG2   LYS+ 111   3.86 +/- 0.43  99.643% * 94.2709% (0.18   6.51 315.37) =  99.997%  kept
          HN    ILE   56 - HG2   LYS+ 111  11.91 +/- 2.44   0.267% *  0.8048% (0.49   0.02   2.11) =   0.002%
          QE    PHE   60 - HG2   LYS+ 111  16.19 +/- 2.76   0.054% *  0.5103% (0.31   0.02   0.02) =   0.000%
          HN    LEU   63 - HG2   LYS+ 111  16.51 +/- 1.27   0.024% *  1.0028% (0.61   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+ 111  21.63 +/- 3.05   0.007% *  1.4828% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+ 111  26.82 +/- 2.67   0.001% *  1.6388% (0.99   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+ 111  22.73 +/- 2.42   0.003% *  0.2896% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.16 A, kept.
 
    Peak 3209 (7.59, 1.22, 24.92 ppm):
    14 chemical-shift based assignments, quality = 0.647, support = 6.55, residual support = 315.4:
          HN    LYS+ 111 - HG3   LYS+ 111   3.31 +/- 0.58  99.319% * 98.0219% (0.65   6.55 315.37) =  99.998%  kept
          HN    ILE   56 - HG3   LYS+ 111  10.98 +/- 2.79   0.312% *  0.4464% (0.97   0.02   2.11) =   0.001%
          HN    LEU   63 - HG3   LYS+ 111  16.24 +/- 1.38   0.012% *  0.4616% (1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HG2   LYS+  74  11.86 +/- 1.39   0.098% *  0.0493% (0.11   0.02   0.02) =   0.000%
          HN    ILE   56 - HG2   LYS+  74  12.41 +/- 2.05   0.095% *  0.0477% (0.10   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+  74  12.51 +/- 1.13   0.057% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+  74  13.32 +/- 1.12   0.039% *  0.0280% (0.06   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+  74  12.67 +/- 1.38   0.050% *  0.0186% (0.04   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   LYS+ 111  22.50 +/- 2.46   0.002% *  0.2993% (0.65   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG3   LYS+ 111  21.69 +/- 2.81   0.003% *  0.1736% (0.38   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG2   LYS+  74  16.71 +/- 2.57   0.010% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   LYS+ 111  26.85 +/- 2.59   0.001% *  0.2619% (0.57   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG2   LYS+  74  21.98 +/- 1.24   0.002% *  0.0123% (0.03   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG3   LYS+ 111  35.41 +/- 2.37   0.000% *  0.1154% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3210 (8.52, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 0.0856, support = 5.69, residual support = 32.0:
          HN    VAL   75 - HG2   LYS+  74   3.03 +/- 0.58  99.856% * 92.7652% (0.09   5.69  32.03) =  99.999%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.18 +/- 1.05   0.138% *  0.4038% (0.11   0.02   0.02) =   0.001%
          HN    ASP-  78 - HG3   LYS+ 111  20.85 +/- 3.27   0.003% *  3.7784% (0.99   0.02   0.02) =   0.000%
          HN    VAL   75 - HG3   LYS+ 111  18.88 +/- 2.27   0.003% *  3.0526% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3211 (1.99, 3.46, 61.33 ppm):
    11 chemical-shift based assignments, quality = 0.759, support = 0.812, residual support = 2.42:
        T HB2   LEU  115 - HA    LYS+ 112   2.76 +/- 0.60  90.962% * 68.5047% (0.76 10.00   0.75   2.24) =  98.211%  kept
          QB    GLU- 114 - HA    LYS+ 112   5.57 +/- 0.54   4.191% * 15.1484% (0.73  1.00   1.75   0.11) =   1.001%  kept
          HB2   LYS+ 111 - HA    LYS+ 112   5.28 +/- 0.30   3.223% * 15.4290% (0.18  1.00   7.37  28.11) =   0.784%  kept
          HG3   PRO   58 - HA    LYS+ 112   7.82 +/- 2.26   1.616% *  0.1914% (0.80  1.00   0.02   0.02) =   0.005%
          HB2   LEU   67 - HA    LYS+ 112  17.44 +/- 1.39   0.003% *  0.0897% (0.38  1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 112  20.22 +/- 2.75   0.001% *  0.2073% (0.87  1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 112  21.82 +/- 1.99   0.001% *  0.1914% (0.80  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LYS+ 112  17.64 +/- 2.37   0.002% *  0.0419% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 112  20.68 +/- 2.44   0.001% *  0.0532% (0.22  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 112  22.01 +/- 1.54   0.001% *  0.0532% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 112  29.77 +/- 2.25   0.000% *  0.0897% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3212 (0.80, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 1.81, residual support = 8.52:
        T QD1   ILE   56 - HA    LYS+ 112   4.96 +/- 2.53  95.235% * 99.7132% (0.84 10.00   1.81   8.52) =  99.996%  kept
          HG3   LYS+ 121 - HA    LYS+ 112  13.88 +/- 1.13   1.167% *  0.1215% (0.92  1.00   0.02   0.02) =   0.001%
          QD2   LEU   73 - HA    LYS+ 112  17.46 +/- 1.72   1.769% *  0.0745% (0.57  1.00   0.02   0.02) =   0.001%
          QD2   LEU  123 - HA    LYS+ 112  13.03 +/- 1.56   1.734% *  0.0366% (0.28  1.00   0.02   0.02) =   0.001%
          HG    LEU   31 - HA    LYS+ 112  24.79 +/- 1.42   0.095% *  0.0541% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 8 structures by 1.88 A, kept.
 
    Peak 3213 (7.32, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.943, support = 1.39, residual support = 2.3:
          QD    PHE   55 - HA    LYS+ 112   6.00 +/- 2.77  70.742% * 96.2700% (0.95   1.39   2.31) =  99.646%  kept
          QE    PHE   95 - HA    LYS+ 112   7.40 +/- 1.83  29.111% *  0.8287% (0.57   0.02   0.02) =   0.353%
          HE3   TRP   27 - HA    LYS+ 112  22.14 +/- 1.66   0.022% *  1.4347% (0.98   0.02   0.02) =   0.000%
          HN    LEU   67 - HA    LYS+ 112  16.61 +/- 1.22   0.104% *  0.2897% (0.20   0.02   0.02) =   0.000%
          HN    THR   23 - HA    LYS+ 112  24.56 +/- 2.27   0.011% *  0.7701% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LYS+ 112  25.89 +/- 2.23   0.010% *  0.4070% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 13 structures by 2.38 A, kept.
 
    Peak 3214 (8.48, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 5.74, residual support = 231.7:
      O   HN    LYS+ 112 - HA    LYS+ 112   2.80 +/- 0.06  99.971% * 99.7200% (0.92  10.0   5.74 231.66) = 100.000%  kept
          HN    MET   92 - HA    LYS+ 112  13.60 +/- 1.92   0.024% *  0.0300% (0.28   1.0   0.02   0.02) =   0.000%
          HN    THR   46 - HA    LYS+ 112  15.80 +/- 1.33   0.004% *  0.0484% (0.45   1.0   0.02   0.02) =   0.000%
          HN    LYS+  74 - HA    LYS+ 112  19.71 +/- 2.21   0.001% *  0.0937% (0.87   1.0   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LYS+ 112  36.72 +/- 3.13   0.000% *  0.1078% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3215 (8.51, 0.36, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 6.22, residual support = 231.7:
          HN    LYS+ 112 - HG2   LYS+ 112   3.81 +/- 0.36  99.952% * 98.9772% (0.41   6.22 231.66) = 100.000%  kept
          HN    VAL   75 - HG2   LYS+ 112  18.02 +/- 3.34   0.039% *  0.2387% (0.31   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG2   LYS+ 112  21.13 +/- 3.33   0.010% *  0.5912% (0.76   0.02   0.02) =   0.000%
          HN    MET   11 - HG2   LYS+ 112  36.96 +/- 3.92   0.000% *  0.1929% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3216 (7.27, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 0.778, support = 0.352, residual support = 0.438:
          QE    PHE   59 - HG2   LYS+ 112   8.12 +/- 2.39  38.474% * 58.0015% (0.90   0.42   0.45) =  68.738%  kept
          HN    PHE   59 - HG2   LYS+ 112   7.53 +/- 2.35  56.637% * 16.2613% (0.53   0.20   0.45) =  28.369%  kept
          QD    PHE   60 - HG2   LYS+ 112  11.33 +/- 2.31   4.113% * 22.3271% (0.45   0.32   0.02) =   2.828%  kept
          HN    LYS+  66 - HG2   LYS+ 112  15.66 +/- 2.06   0.728% *  2.8663% (0.92   0.02   0.02) =   0.064%
          HN    LYS+  81 - HG2   LYS+ 112  26.57 +/- 2.83   0.049% *  0.5438% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.03 A violated in 14 structures by 2.50 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3217 (2.45, 0.36, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.58, residual support = 231.7:
      O T QE    LYS+ 112 - HG2   LYS+ 112   2.39 +/- 0.35  99.960% * 93.9398% (0.20  10.0 10.00   4.58 231.66) =  99.998%  kept
        T HB3   ASP-  62 - HG2   LYS+ 112  10.49 +/- 2.41   0.037% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.002%
          HG3   MET   96 - HG2   LYS+ 112  18.05 +/- 2.11   0.001% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG2   LYS+ 112  16.04 +/- 1.97   0.002% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG2   LYS+ 112  25.20 +/- 2.63   0.000% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG2   LYS+ 112  32.24 +/- 3.04   0.000% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   LYS+ 112  33.90 +/- 2.94   0.000% *  0.2128% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3218 (2.45, 1.05, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.65, residual support = 231.7:
      O T QE    LYS+ 112 - HG3   LYS+ 112   2.94 +/- 0.40  99.927% * 93.9398% (0.20  10.0 10.00   4.65 231.66) =  99.997%  kept
        T HB3   ASP-  62 - HG3   LYS+ 112  11.42 +/- 2.15   0.058% *  4.7049% (0.99   1.0 10.00   0.02   0.02) =   0.003%
          HG3   MET   96 - HG3   LYS+ 112  18.26 +/- 2.28   0.005% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   LYS+ 112  15.97 +/- 2.01   0.010% *  0.0939% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   LYS+ 112  25.10 +/- 2.90   0.001% *  0.3965% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG3   LYS+ 112  32.50 +/- 3.03   0.000% *  0.3261% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG3   LYS+ 112  34.39 +/- 2.54   0.000% *  0.2128% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3219 (7.36, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.397, support = 0.0199, residual support = 0.0199:
          QE    PHE   95 - HG3   LYS+ 112   8.64 +/- 2.61  92.692% *  6.9459% (0.28   0.02   0.02) =  80.135%  kept
          HD1   TRP   49 - HG3   LYS+ 112  18.12 +/- 2.96   5.065% * 24.1093% (0.97   0.02   0.02) =  15.200%  kept
          HN    LEU   67 - HG3   LYS+ 112  17.99 +/- 1.81   1.887% * 17.1603% (0.69   0.02   0.02) =   4.029%  kept
          HD2   HIS   22 - HG3   LYS+ 112  28.67 +/- 3.76   0.097% * 24.9820% (1.00   0.02   0.02) =   0.300%
          HN    THR   23 - HG3   LYS+ 112  25.31 +/- 3.41   0.199% *  7.7106% (0.31   0.02   0.02) =   0.191%
          HD21  ASN   35 - HG3   LYS+ 112  31.98 +/- 2.60   0.061% * 19.0919% (0.76   0.02   0.02) =   0.144%
    Distance limit 4.17 A violated in 18 structures by 4.32 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 = 231.7:
          HN    LYS+ 112 - HG3   LYS+ 112   3.28 +/- 0.41  99.980% * 98.9283% (0.41   5.94 231.66) = 100.000%  kept
          HN    VAL   75 - HG3   LYS+ 112  18.15 +/- 3.49   0.016% *  0.2502% (0.31   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 112  20.94 +/- 3.65   0.004% *  0.6194% (0.76   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 112  37.58 +/- 4.17   0.000% *  0.2021% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3221 (2.45, 1.20, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.76, residual support = 231.7:
      O   QE    LYS+ 112 - HD2   LYS+ 112   2.35 +/- 0.15  99.980% * 95.1769% (0.20  10.0  1.00   3.76 231.66) = 100.000%  kept
          HB3   ASP-  62 - HD2   LYS+ 112  11.28 +/- 2.51   0.018% *  0.4767% (0.99   1.0  1.00   0.02   0.02) =   0.000%
        T HG3   MET   96 - HD2   LYS+ 112  18.84 +/- 2.57   0.001% *  3.3036% (0.69   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD2   LYS+ 112  16.55 +/- 2.42   0.002% *  0.0952% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD2   LYS+ 112  25.73 +/- 3.48   0.000% *  0.4017% (0.84   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD2   LYS+ 112  32.77 +/- 3.40   0.000% *  0.3304% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD2   LYS+ 112  34.56 +/- 3.08   0.000% *  0.2156% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3222 (0.36, 1.11, 29.98 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.53, residual support = 231.7:
      O   HG2   LYS+ 112 - HD3   LYS+ 112   2.72 +/- 0.24  99.979% * 99.7845% (0.85  10.0   5.53 231.66) = 100.000%  kept
          QG1   VAL   42 - HD3   LYS+ 112  14.28 +/- 2.16   0.013% *  0.1103% (0.94   1.0   0.02   0.02) =   0.000%
          QB    ALA   47 - HD3   LYS+ 112  14.25 +/- 1.57   0.008% *  0.1053% (0.89   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3223 (2.45, 1.11, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 231.7:
      O   QE    LYS+ 112 - HD3   LYS+ 112   2.38 +/- 0.15  99.977% * 98.0934% (0.19  10.0   2.96 231.66) = 100.000%  kept
          HB3   ASP-  62 - HD3   LYS+ 112  11.06 +/- 2.53   0.021% *  0.4913% (0.94   1.0   0.02   0.02) =   0.000%
          HG3   MET   96 - HD3   LYS+ 112  18.91 +/- 2.11   0.001% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD3   LYS+ 112  17.01 +/- 2.02   0.001% *  0.0981% (0.19   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD3   LYS+ 112  26.17 +/- 3.03   0.000% *  0.4140% (0.79   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD3   LYS+ 112  33.02 +/- 3.01   0.000% *  0.3405% (0.65   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD3   LYS+ 112  34.56 +/- 3.01   0.000% *  0.2222% (0.42   1.0   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3224 (0.36, 2.43, 41.54 ppm):
    6 chemical-shift based assignments, quality = 0.749, support = 4.58, residual support = 231.7:
      O T HG2   LYS+ 112 - QE    LYS+ 112   2.39 +/- 0.35  99.875% * 99.5374% (0.75  10.0 10.00   4.58 231.66) = 100.000%  kept
        T HG2   LYS+ 112 - HB3   ASP-  62  10.49 +/- 2.41   0.037% *  0.2037% (0.15   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - QE    LYS+ 112  12.26 +/- 2.29   0.014% *  0.1100% (0.83   1.0  1.00   0.02   0.02) =   0.000%
          QG1   VAL   42 - HB3   ASP-  62   8.94 +/- 0.62   0.063% *  0.0225% (0.17   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   47 - QE    LYS+ 112  12.14 +/- 1.66   0.010% *  0.1050% (0.79   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   47 - HB3   ASP-  62  15.43 +/- 1.06   0.002% *  0.0215% (0.16   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3225 (0.77, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.435, support = 1.43, residual support = 8.42:
          QD1   ILE   56 - QE    LYS+ 112   5.10 +/- 1.89  72.979% * 82.2365% (0.44   1.45   8.52) =  98.762%  kept
          QD1   ILE   56 - HB3   ASP-  62   7.04 +/- 0.65  14.181% *  2.6315% (0.09   0.23   0.02) =   0.614%  kept
          QG2   VAL   18 - HB3   ASP-  62   8.60 +/- 1.92   6.486% *  5.0985% (0.07   0.56   0.02) =   0.544%  kept
          QG2   VAL   18 - QE    LYS+ 112  12.47 +/- 3.15   3.899% *  0.8880% (0.34   0.02   0.02) =   0.057%
          QG2   THR   46 - QE    LYS+ 112  12.28 +/- 2.28   0.648% *  0.6667% (0.26   0.02   0.02) =   0.007%
          QG1   VAL   43 - QE    LYS+ 112  14.91 +/- 2.16   0.204% *  1.3974% (0.54   0.02   0.02) =   0.005%
          QD2   LEU   73 - QE    LYS+ 112  16.28 +/- 2.47   0.130% *  1.7297% (0.67   0.02   0.02) =   0.004%
          QD2   LEU   73 - HB3   ASP-  62  13.16 +/- 0.49   0.367% *  0.3539% (0.14   0.02   0.02) =   0.002%
          QG1   VAL   43 - HB3   ASP-  62  13.57 +/- 0.62   0.363% *  0.2859% (0.11   0.02   0.02) =   0.002%
          QG1   VAL   41 - QE    LYS+ 112  18.19 +/- 1.95   0.045% *  1.8043% (0.70   0.02   0.02) =   0.001%
          QG2   THR   46 - HB3   ASP-  62  12.92 +/- 1.67   0.523% *  0.1364% (0.05   0.02   0.02) =   0.001%
          QG1   VAL   41 - HB3   ASP-  62  15.65 +/- 0.80   0.144% *  0.3692% (0.14   0.02   0.02) =   0.001%
          HG    LEU   31 - QE    LYS+ 112  23.53 +/- 2.37   0.010% *  1.9940% (0.77   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   ASP-  62  21.58 +/- 0.72   0.022% *  0.4080% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 8 structures by 1.08 A, kept.
 
    Peak 3226 (1.06, 2.43, 41.54 ppm):
    10 chemical-shift based assignments, quality = 0.803, support = 4.65, residual support = 230.7:
      O T HG3   LYS+ 112 - QE    LYS+ 112   2.94 +/- 0.40  89.300% * 95.4360% (0.81  10.0 10.00   4.65 231.66) =  99.493%  kept
          HG    LEU   63 - HB3   ASP-  62   4.96 +/- 1.06  10.478% *  4.1409% (0.15   1.0  1.00   4.56  42.50) =   0.507%  kept
        T HG3   LYS+ 112 - HB3   ASP-  62  11.42 +/- 2.15   0.051% *  0.1953% (0.16   1.0 10.00   0.02   0.02) =   0.000%
          HG    LEU   63 - QE    LYS+ 112  10.94 +/- 2.51   0.093% *  0.0887% (0.75   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QE    LYS+ 112  10.81 +/- 0.88   0.052% *  0.0247% (0.21   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - QE    LYS+ 112  20.92 +/- 2.36   0.001% *  0.0756% (0.64   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   ASP-  62  13.50 +/- 0.74   0.012% *  0.0050% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    LYS+ 112  17.21 +/- 1.50   0.003% *  0.0153% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB3   ASP-  62  15.11 +/- 1.37   0.007% *  0.0031% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   ASP-  62  20.93 +/- 1.09   0.001% *  0.0155% (0.13   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3227 (1.14, 2.43, 41.54 ppm):
    12 chemical-shift based assignments, quality = 0.48, support = 0.0199, residual support = 0.0199:
        T QG2   VAL  107 - QE    LYS+ 112   6.70 +/- 1.07  17.987% * 59.7816% (0.51 10.00   0.02   0.02) =  85.487%  kept
          HG13  ILE  119 - QE    LYS+ 112   8.25 +/- 2.40  14.569% *  6.3761% (0.54  1.00   0.02   0.02) =   7.385%  kept
          HG13  ILE  119 - HB3   ASP-  62   5.14 +/- 1.27  64.154% *  1.3045% (0.11  1.00   0.02   0.02) =   6.654%  kept
          QG2   VAL  107 - HB3   ASP-  62   8.65 +/- 0.77   2.710% *  1.2231% (0.10  1.00   0.02   0.02) =   0.264%
          QB    ALA   20 - QE    LYS+ 112  17.16 +/- 3.06   0.122% *  9.8344% (0.83  1.00   0.02   0.02) =   0.096%
          HG2   LYS+ 121 - QE    LYS+ 112  14.88 +/- 1.20   0.097% *  8.2327% (0.70  1.00   0.02   0.02) =   0.064%
          QB    ALA   20 - HB3   ASP-  62  14.89 +/- 1.47   0.135% *  2.0121% (0.17  1.00   0.02   0.02) =   0.022%
          HG2   LYS+ 121 - HB3   ASP-  62  13.60 +/- 1.39   0.149% *  1.6844% (0.14  1.00   0.02   0.02) =   0.020%
          HG13  ILE  103 - QE    LYS+ 112  18.70 +/- 1.78   0.033% *  1.9506% (0.17  1.00   0.02   0.02) =   0.005%
          HB3   LEU   31 - QE    LYS+ 112  24.71 +/- 2.44   0.007% *  5.9782% (0.51  1.00   0.02   0.02) =   0.003%
          HG13  ILE  103 - HB3   ASP-  62  18.43 +/- 1.36   0.028% *  0.3991% (0.03  1.00   0.02   0.02) =   0.001%
          HB3   LEU   31 - HB3   ASP-  62  22.55 +/- 0.81   0.008% *  1.2231% (0.10  1.00   0.02   0.02) =   0.001%
    Distance limit 3.10 A violated in 17 structures by 1.44 A, eliminated.
    Peak unassigned.
 
    Peak 3228 (7.33, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.725, support = 0.765, residual support = 2.29:
          QD    PHE   55 - QE    LYS+ 112   4.77 +/- 2.42  73.985% * 87.2624% (0.72   0.77   2.31) =  99.326%  kept
          QE    PHE   95 - QE    LYS+ 112   7.71 +/- 2.74  15.324% *  2.5612% (0.82   0.02   0.02) =   0.604%  kept
          HN    LEU   67 - HB3   ASP-  62   7.59 +/- 0.71   6.131% *  0.3458% (0.11   0.02   0.02) =   0.033%
          QE    PHE   95 - HB3   ASP-  62   7.57 +/- 0.95   3.522% *  0.5240% (0.17   0.02   0.02) =   0.028%
          QD    PHE   55 - HB3   ASP-  62  10.48 +/- 0.90   0.826% *  0.4637% (0.15   0.02   0.02) =   0.006%
          HN    LEU   67 - QE    LYS+ 112  15.05 +/- 2.64   0.077% *  1.6903% (0.54   0.02   0.02) =   0.002%
          HD1   TRP   49 - QE    LYS+ 112  16.43 +/- 2.46   0.064% *  0.8065% (0.26   0.02   0.02) =   0.001%
          HE3   TRP   27 - QE    LYS+ 112  20.98 +/- 2.51   0.008% *  2.0923% (0.67   0.02   0.02) =   0.000%
          HN    THR   23 - QE    LYS+ 112  22.46 +/- 3.04   0.005% *  2.5217% (0.81   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   ASP-  62  19.69 +/- 1.16   0.020% *  0.4281% (0.14   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   ASP-  62  21.19 +/- 1.26   0.012% *  0.5159% (0.16   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASP-  62  21.24 +/- 2.04   0.015% *  0.1650% (0.05   0.02   0.02) =   0.000%
          HD2   HIS   22 - QE    LYS+ 112  25.24 +/- 3.52   0.003% *  0.5171% (0.17   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   ASP-  62  22.81 +/- 1.43   0.006% *  0.1058% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 4 structures by 0.59 A, kept.
 
    Peak 3230 (8.17, 2.68, 39.79 ppm):
    5 chemical-shift based assignments, quality = 0.836, support = 3.29, residual support = 21.5:
          HN    GLU- 114 - QB    ASP- 113   2.52 +/- 0.24  97.714% * 78.1304% (0.84   3.30  21.58) =  99.464%  kept
          HN    GLN  116 - QB    ASP- 113   5.05 +/- 0.23   1.967% * 20.8404% (0.98   0.75   1.50) =   0.534%  kept
          HN    THR  118 - QB    ASP- 113   6.96 +/- 0.73   0.312% *  0.4540% (0.80   0.02   0.02) =   0.002%
          HN    PHE   60 - QB    ASP- 113  12.70 +/- 0.54   0.007% *  0.3210% (0.57   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    ASP- 113  21.17 +/- 0.96   0.000% *  0.2542% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3231 (8.43, 2.68, 39.79 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.42, residual support = 14.3:
      O   HN    ASP- 113 - QB    ASP- 113   2.10 +/- 0.07  99.999% * 99.9821% (0.98  10.0   3.42  14.25) = 100.000%  kept
          HN    MET   92 - QB    ASP- 113  14.47 +/- 1.97   0.001% *  0.0179% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3232 (1.74, 4.37, 57.38 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 0.0199, residual support = 0.0199:
        T QG1   ILE   56 - HA    ASP- 113   9.42 +/- 1.32  96.335% * 39.4133% (0.41 10.00   0.02   0.02) =  98.736%  kept
        T HB3   LYS+  99 - HA    ASP- 113  21.90 +/- 0.86   0.743% * 50.4393% (0.53 10.00   0.02   0.02) =   0.974%  kept
          HB    ILE   89 - HA    ASP- 113  22.46 +/- 1.91   0.972% *  8.8499% (0.92  1.00   0.02   0.02) =   0.224%
          HB    VAL   43 - HA    ASP- 113  19.82 +/- 0.99   1.951% *  1.2975% (0.14  1.00   0.02   0.02) =   0.066%
    Distance limit 3.63 A violated in 20 structures by 5.78 A, eliminated.
    Peak unassigned.
 
    Peak 3233 (8.17, 4.14, 59.59 ppm):
    10 chemical-shift based assignments, quality = 0.795, support = 3.99, residual support = 49.7:
      O   HN    GLU- 114 - HA    GLU- 114   2.80 +/- 0.04  55.782% * 54.7924% (0.84  10.0   3.60  44.29) =  88.013%  kept
      O   HN    GLN  116 - HA    LEU  115   3.60 +/- 0.05  12.280% * 29.5914% (0.45  10.0   7.48 102.11) =  10.464%  kept
          HN    GLN  116 - HA    GLU- 114   4.44 +/- 0.42   4.415% *  9.8827% (0.98   1.0   3.07   0.15) =   1.257%  kept
          HN    GLU- 114 - HA    LEU  115   5.13 +/- 0.14   1.500% *  5.5596% (0.38   1.0   4.41  15.24) =   0.240%
          HN    THR  118 - HA    GLU- 114   4.13 +/- 0.84   9.970% *  0.0525% (0.80   1.0   0.02   0.02) =   0.015%
          HN    THR  118 - HA    LEU  115   3.51 +/- 0.28  15.930% *  0.0242% (0.37   1.0   0.02   0.02) =   0.011%
          HN    PHE   60 - HA    LEU  115   8.08 +/- 0.68   0.114% *  0.0171% (0.26   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  12.63 +/- 0.66   0.007% *  0.0371% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  16.68 +/- 0.98   0.001% *  0.0135% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  20.26 +/- 1.24   0.000% *  0.0294% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3234 (8.40, 4.14, 59.59 ppm):
    6 chemical-shift based assignments, quality = 0.571, support = 6.71, residual support = 158.0:
      O   HN    LEU  115 - HA    LEU  115   2.79 +/- 0.03  79.614% * 31.4756% (0.41  10.0   7.60 227.54) =  67.261%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.58 +/- 0.05  17.834% * 68.3936% (0.90  10.0   4.87  15.24) =  32.738%  kept
          HN    ASP- 113 - HA    GLU- 114   5.13 +/- 0.13   2.080% *  0.0212% (0.28   1.0   0.02  21.58) =   0.001%
          HN    ASP- 113 - HA    LEU  115   6.68 +/- 0.29   0.437% *  0.0098% (0.13   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115  10.71 +/- 0.66   0.027% *  0.0315% (0.41   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  13.02 +/- 1.11   0.009% *  0.0684% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 3.84, residual support = 44.3:
      O   HN    GLU- 114 - QB    GLU- 114   2.32 +/- 0.29  96.836% * 99.6664% (0.81  10.0   3.84  44.29) =  99.997%  kept
          HN    THR  118 - QB    GLU- 114   4.81 +/- 0.59   1.932% *  0.0955% (0.77   1.0   0.02   0.02) =   0.002%
          HN    GLN  116 - QB    GLU- 114   5.05 +/- 0.38   1.218% *  0.1170% (0.95   1.0   0.02   0.15) =   0.001%
          HN    PHE   60 - QB    GLU- 114  11.00 +/- 0.99   0.013% *  0.0676% (0.55   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    GLU- 114  18.01 +/- 1.19   0.001% *  0.0535% (0.43   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3236 (8.40, 2.00, 29.90 ppm):
    3 chemical-shift based assignments, quality = 0.85, support = 4.77, residual support = 15.4:
          HN    LEU  115 - QB    GLU- 114   3.15 +/- 0.42  88.472% * 82.5082% (0.87   4.81  15.24) =  97.376%  kept
          HN    ASP- 113 - QB    GLU- 114   4.58 +/- 0.38  11.470% * 17.1485% (0.27   3.22  21.58) =   2.624%  kept
          HN    PHE   97 - QB    GLU- 114  10.97 +/- 1.09   0.058% *  0.3432% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3237 (8.17, 2.31, 37.32 ppm):
    5 chemical-shift based assignments, quality = 0.838, support = 4.33, residual support = 42.9:
          HN    GLU- 114 - QG    GLU- 114   2.56 +/- 0.52  91.743% * 52.1551% (0.83   4.36  44.29) =  96.886%  kept
          HN    GLN  116 - QG    GLU- 114   4.99 +/- 0.68   3.225% * 47.3252% (0.98   3.37   0.15) =   3.091%  kept
          HN    THR  118 - QG    GLU- 114   5.06 +/- 0.82   4.982% *  0.2293% (0.80   0.02   0.02) =   0.023%
          HN    PHE   60 - QG    GLU- 114  10.51 +/- 1.40   0.048% *  0.1621% (0.56   0.02   0.02) =   0.000%
          HN    LEU   71 - QG    GLU- 114  17.76 +/- 1.49   0.001% *  0.1284% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3238 (8.38, 2.31, 37.32 ppm):
    4 chemical-shift based assignments, quality = 0.447, support = 5.22, residual support = 15.2:
          HN    LEU  115 - QG    GLU- 114   2.89 +/- 0.94  99.818% * 98.3853% (0.45   5.22  15.24) =  99.999%  kept
          HN    PHE   97 - QG    GLU- 114  10.82 +/- 1.26   0.181% *  0.3770% (0.45   0.02   0.02) =   0.001%
          HN    ASN   35 - QG    GLU- 114  23.62 +/- 1.40   0.001% *  0.4424% (0.52   0.02   0.02) =   0.000%
          HN    ALA   12 - QG    GLU- 114  31.15 +/- 1.87   0.000% *  0.7954% (0.94   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3239 (1.10, 2.31, 37.32 ppm):
    6 chemical-shift based assignments, quality = 0.97, support = 0.583, residual support = 5.03:
          QG1   VAL  107 - QG    GLU- 114   3.46 +/- 0.97  85.380% * 72.0157% (0.98   0.60   5.30) =  94.732%  kept
          HD3   LYS+ 112 - QG    GLU- 114   7.44 +/- 1.98  14.145% * 24.1547% (0.83   0.24   0.11) =   5.264%  kept
          HG13  ILE  119 - QG    GLU- 114   8.23 +/- 1.47   0.465% *  0.5430% (0.22   0.02   0.02) =   0.004%
          QG1   VAL   24 - QG    GLU- 114  17.38 +/- 1.92   0.006% *  2.2513% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   24 - QG    GLU- 114  18.77 +/- 1.89   0.003% *  0.4271% (0.17   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG    GLU- 114  21.20 +/- 1.33   0.001% *  0.6081% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.25 A, kept.
 
    Peak 3240 (1.14, 2.00, 29.90 ppm):
    6 chemical-shift based assignments, quality = 0.585, support = 1.74, residual support = 5.3:
        T QG2   VAL  107 - QB    GLU- 114   3.40 +/- 0.62  98.930% * 99.3804% (0.59 10.00   1.74   5.30) =  99.999%  kept
          HG13  ILE  119 - QB    GLU- 114   8.37 +/- 0.77   0.659% *  0.1220% (0.62  1.00   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - QB    GLU- 114   9.91 +/- 1.19   0.363% *  0.1576% (0.81  1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - QB    GLU- 114  13.17 +/- 1.44   0.040% *  0.0373% (0.19  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QB    GLU- 114  18.41 +/- 1.59   0.006% *  0.1882% (0.96  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QB    GLU- 114  21.48 +/- 1.33   0.002% *  0.1144% (0.59  1.00   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 5 structures by 0.47 A, kept.
 
    Peak 3243 (4.12, 1.46, 42.01 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 6.31, residual support = 227.5:
      O T HA    LEU  115 - HB3   LEU  115   2.28 +/- 0.10  99.589% * 97.8960% (0.92  10.0 10.00   6.31 227.54) =  99.998%  kept
        T HA    GLU- 114 - HB3   LEU  115   6.22 +/- 0.28   0.283% *  0.4755% (0.45   1.0 10.00   0.02  15.24) =   0.001%
        T HA    ARG+  54 - HB3   LEU  115  10.94 +/- 1.26   0.013% *  0.8858% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU   40   7.69 +/- 0.41   0.074% *  0.0100% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU   40  13.16 +/- 4.58   0.016% *  0.0090% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU   40  10.05 +/- 1.00   0.018% *  0.0075% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   LEU   40  16.17 +/- 1.22   0.001% *  0.1149% (0.11   1.0 10.00   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU  115  17.50 +/- 0.62   0.001% *  0.0770% (0.73   1.0  1.00   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HB3   LEU   40  19.04 +/- 1.51   0.000% *  0.0558% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU   40  14.94 +/- 0.74   0.001% *  0.0118% (0.11   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB3   LEU   40  22.86 +/- 1.97   0.000% *  0.1039% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HA    THR   26 - HB3   LEU   40  17.61 +/- 0.60   0.001% *  0.0218% (0.02   1.0 10.00   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU  115  23.55 +/- 1.28   0.000% *  0.1003% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU  115  22.86 +/- 1.44   0.000% *  0.0849% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU  115  21.85 +/- 1.18   0.000% *  0.0643% (0.61   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU   40  13.07 +/- 0.24   0.003% *  0.0028% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU  115  22.77 +/- 1.41   0.000% *  0.0327% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   LEU  115  25.45 +/- 1.55   0.000% *  0.0186% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU  115  29.02 +/- 1.32   0.000% *  0.0236% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU   40  25.33 +/- 0.84   0.000% *  0.0038% (0.04   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3244 (0.44, 1.46, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.14, residual support = 227.5:
      O T QD1   LEU  115 - HB3   LEU  115   2.35 +/- 0.13  99.992% * 99.7570% (0.87  10.0 10.00   6.14 227.54) = 100.000%  kept
          QG1   VAL   75 - HB3   LEU  115  13.57 +/- 1.53   0.005% *  0.1127% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T QD1   LEU  115 - HB3   LEU   40  15.11 +/- 1.34   0.002% *  0.1170% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - HB3   LEU   40  15.03 +/- 0.60   0.002% *  0.0132% (0.12   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3245 (0.57, 1.46, 42.01 ppm):
    18 chemical-shift based assignments, quality = 0.448, support = 7.35, residual support = 227.5:
      O T QD2   LEU  115 - HB3   LEU  115   2.95 +/- 0.39  85.059% * 98.9032% (0.45  10.0 10.00   7.35 227.54) =  99.991%  kept
          QD1   LEU   63 - HB3   LEU  115   6.13 +/- 1.54   2.690% *  0.1766% (0.80   1.0  1.00   0.02   0.02) =   0.006%
          QD2   LEU   63 - HB3   LEU  115   7.50 +/- 1.64   0.871% *  0.2036% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HB3   LEU   40   5.43 +/- 1.76   9.189% *  0.0058% (0.03   1.0  1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HB3   LEU   40   6.61 +/- 0.48   1.048% *  0.0097% (0.04   1.0  1.00   0.02  20.18) =   0.000%
          QD2   LEU   63 - HB3   LEU   40   7.96 +/- 1.53   0.348% *  0.0239% (0.11   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB3   LEU   40   8.94 +/- 1.06   0.148% *  0.0207% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB3   LEU   40   9.22 +/- 0.60   0.133% *  0.0207% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   40   7.50 +/- 0.72   0.463% *  0.0058% (0.03   1.0  1.00   0.02  10.28) =   0.000%
          QD1   LEU   73 - HB3   LEU  115  15.46 +/- 1.12   0.005% *  0.1766% (0.80   1.0  1.00   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HB3   LEU   40  14.52 +/- 1.16   0.007% *  0.1160% (0.05   1.0 10.00   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   LEU  115  13.16 +/- 1.27   0.014% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU  115  15.20 +/- 1.04   0.005% *  0.0828% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU  115  14.36 +/- 1.25   0.008% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  115  17.40 +/- 1.80   0.003% *  0.0907% (0.41   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU  115  18.01 +/- 2.20   0.003% *  0.0491% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   40  16.52 +/- 1.97   0.004% *  0.0106% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   40  17.78 +/- 2.11   0.003% *  0.0058% (0.03   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3246 (8.17, 1.46, 42.01 ppm):
    10 chemical-shift based assignments, quality = 0.961, support = 7.79, residual support = 95.2:
          HN    GLN  116 - HB3   LEU  115   4.07 +/- 0.24  48.175% * 69.3020% (0.98   8.19 102.11) =  92.318%  kept
          HN    GLU- 114 - HB3   LEU  115   5.50 +/- 0.44   8.189% * 25.1171% (0.84   3.48  15.24) =   5.687%  kept
          HN    LEU   71 - HB3   LEU   40   4.54 +/- 0.84  32.233% *  1.1592% (0.05   2.55   1.77) =   1.033%  kept
          HN    THR  118 - HB3   LEU  115   5.55 +/- 0.27   8.245% *  4.1821% (0.80   0.60   0.02) =   0.953%  kept
          HN    PHE   60 - HB3   LEU  115   6.94 +/- 0.99   3.095% *  0.0978% (0.57   0.02   0.02) =   0.008%
          HN    LEU   71 - HB3   LEU  115  17.17 +/- 1.30   0.010% *  0.0774% (0.45   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   40  15.56 +/- 1.84   0.021% *  0.0162% (0.09   0.02   0.02) =   0.000%
          HN    PHE   60 - HB3   LEU   40  15.46 +/- 1.51   0.023% *  0.0115% (0.07   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   40  18.51 +/- 1.23   0.006% *  0.0199% (0.12   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   40  20.65 +/- 1.19   0.003% *  0.0169% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 7.47, residual support = 227.5:
      O   HN    LEU  115 - HB3   LEU  115   3.01 +/- 0.39  98.530% * 99.8421% (0.90  10.0   7.47 227.54) = 100.000%  kept
          HN    ASP- 113 - HB3   LEU  115   6.33 +/- 0.68   1.258% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   LEU  115  11.78 +/- 0.93   0.041% *  0.0998% (0.90   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   LEU   40   9.36 +/- 0.98   0.168% *  0.0117% (0.11   1.0   0.02   0.86) =   0.000%
          HN    LEU  115 - HB3   LEU   40  18.73 +/- 1.10   0.002% *  0.0117% (0.11   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   LEU   40  22.36 +/- 1.03   0.001% *  0.0036% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3248 (3.47, 1.98, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 0.75, residual support = 2.24:
        T HA    LYS+ 112 - HB2   LEU  115   2.76 +/- 0.60  99.928% * 99.6055% (0.69 10.00   0.75   2.24) = 100.000%  kept
          HB2   HIS  122 - HB2   LEU  115  12.51 +/- 0.89   0.028% *  0.1590% (0.41  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LEU  115  13.27 +/- 2.12   0.044% *  0.0765% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB2   LEU  115  26.68 +/- 1.92   0.000% *  0.1590% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3249 (7.33, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.929, support = 1.69, residual support = 3.82:
          QE    PHE   95 - HB2   LEU  115   5.78 +/- 1.73  63.673% * 39.4717% (0.98   1.29   3.07) =  54.314%  kept
          QD    PHE   55 - HB2   LEU  115   6.96 +/- 2.05  36.011% * 58.7026% (0.87   2.16   4.72) =  45.684%  kept
          HN    LEU   67 - HB2   LEU  115  14.83 +/- 0.96   0.219% *  0.4046% (0.65   0.02   0.02) =   0.002%
          HE3   TRP   27 - HB2   LEU  115  20.29 +/- 1.32   0.028% *  0.5008% (0.80   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   LEU  115  18.32 +/- 2.62   0.051% *  0.1930% (0.31   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   LEU  115  23.07 +/- 1.78   0.013% *  0.6035% (0.97   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   LEU  115  26.33 +/- 1.93   0.006% *  0.1238% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 13 structures by 1.26 A, kept.
 
    Peak 3250 (8.18, 1.98, 42.01 ppm):
    5 chemical-shift based assignments, quality = 0.785, support = 7.3, residual support = 99.1:
          HN    GLN  116 - HB2   LEU  115   3.10 +/- 0.50  84.005% * 80.6098% (0.80   7.41 102.11) =  96.562%  kept
          HN    GLU- 114 - HB2   LEU  115   4.51 +/- 0.27  12.810% * 18.7560% (0.34   4.05  15.24) =   3.426%  kept
          HN    THR  118 - HB2   LEU  115   5.68 +/- 0.31   2.546% *  0.2662% (0.98   0.02   0.02) =   0.010%
          HN    PHE   60 - HB2   LEU  115   7.87 +/- 0.77   0.639% *  0.2662% (0.98   0.02   0.02) =   0.002%
          HN    GLU-  15 - HB2   LEU  115  23.65 +/- 1.48   0.001% *  0.1019% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3251 (8.40, 1.98, 42.01 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 7.36, residual support = 227.5:
      O   HN    LEU  115 - HB2   LEU  115   2.15 +/- 0.20  99.189% * 99.8692% (0.90  10.0   7.36 227.54) = 100.000%  kept
          HN    ASP- 113 - HB2   LEU  115   5.00 +/- 0.50   0.809% *  0.0310% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HB2   LEU  115  13.02 +/- 0.87   0.002% *  0.0999% (0.90   1.0   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 0.496, support = 5.45, residual support = 71.2:
      O   HN    GLU- 114 - HA    GLU- 114   2.80 +/- 0.04  55.718% * 15.8874% (0.19  10.0   3.60  44.29) =  50.471%  kept
      O   HN    GLN  116 - HA    LEU  115   3.60 +/- 0.05  12.266% * 68.1423% (0.82  10.0   7.48 102.11) =  47.655%  kept
          HN    GLU- 114 - HA    LEU  115   5.13 +/- 0.14   1.498% * 12.8025% (0.70   1.0   4.41  15.24) =   1.094%  kept
          HN    GLN  116 - HA    GLU- 114   4.44 +/- 0.42   4.409% *  2.8656% (0.22   1.0   3.07   0.15) =   0.720%  kept
          HN    THR  118 - HA    LEU  115   3.51 +/- 0.28  15.914% *  0.0557% (0.67   1.0   0.02   0.02) =   0.051%
          HN    THR  118 - HA    GLU- 114   4.13 +/- 0.84   9.961% *  0.0152% (0.18   1.0   0.02   0.02) =   0.009%
          HN    PHE   60 - HA    LEU  115   8.08 +/- 0.68   0.113% *  0.0394% (0.47   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    ARG+  54   8.46 +/- 1.04   0.095% *  0.0221% (0.27   1.0   0.02   0.02) =   0.000%
          HN    THR  118 - HA    ARG+  54  15.80 +/- 2.21   0.008% *  0.0312% (0.37   1.0   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    ARG+  54  13.66 +/- 1.23   0.005% *  0.0382% (0.46   1.0   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    ARG+  54  14.59 +/- 1.26   0.003% *  0.0326% (0.39   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  12.63 +/- 0.66   0.007% *  0.0108% (0.13   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  16.68 +/- 0.98   0.001% *  0.0312% (0.37   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    ARG+  54  21.03 +/- 1.76   0.000% *  0.0175% (0.21   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  20.26 +/- 1.24   0.000% *  0.0085% (0.10   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3253 (8.40, 4.12, 59.41 ppm):
    9 chemical-shift based assignments, quality = 0.718, support = 7.44, residual support = 215.3:
      O   HN    LEU  115 - HA    LEU  115   2.79 +/- 0.03  79.600% * 78.3350% (0.75  10.0   7.60 227.54) =  94.225%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.58 +/- 0.05  17.830% * 21.4329% (0.20  10.0   4.87  15.24) =   5.775%  kept
          HN    ASP- 113 - HA    GLU- 114   5.13 +/- 0.13   2.079% *  0.0066% (0.06   1.0   0.02  21.58) =   0.000%
          HN    ASP- 113 - HA    LEU  115   6.68 +/- 0.29   0.437% *  0.0243% (0.23   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115  10.71 +/- 0.66   0.027% *  0.0783% (0.75   1.0   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ARG+  54  12.93 +/- 1.31   0.010% *  0.0439% (0.42   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  13.02 +/- 1.11   0.009% *  0.0214% (0.20   1.0   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ARG+  54  18.49 +/- 2.36   0.002% *  0.0439% (0.42   1.0   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    ARG+  54  14.06 +/- 1.03   0.005% *  0.0136% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 7.56, residual support = 227.5:
          HN    LEU  115 - HG    LEU  115   4.00 +/- 0.59  91.481% * 99.4490% (0.78   7.56 227.54) =  99.992%  kept
          HN    ASP- 113 - HG    LEU  115   6.74 +/- 1.23   4.605% *  0.0816% (0.24   0.02   0.02) =   0.004%
          HN    PHE   97 - HG    LEU   40   7.29 +/- 0.99   3.709% *  0.0893% (0.26   0.02   0.86) =   0.004%
          HN    PHE   97 - HG    LEU  115  12.68 +/- 1.34   0.179% *  0.2631% (0.78   0.02   0.02) =   0.001%
          HN    LEU  115 - HG    LEU   40  17.02 +/- 0.95   0.020% *  0.0893% (0.26   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG    LEU   40  20.68 +/- 0.88   0.006% *  0.0277% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.41 A, kept.
 
    Peak 3255 (6.91, 0.43, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QD1   LEU  115   9.66 +/- 0.92 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.79 A violated in 20 structures by 5.87 A, eliminated.
    Peak unassigned.
 
    Peak 3256 (7.32, 0.43, 25.13 ppm):
    6 chemical-shift based assignments, quality = 0.776, support = 1.65, residual support = 3.98:
          QD    PHE   55 - QD1   LEU  115   4.97 +/- 1.82  32.832% * 70.4899% (0.95   1.94   4.72) =  55.243%  kept
          QE    PHE   95 - QD1   LEU  115   4.04 +/- 1.82  66.990% * 27.9886% (0.57   1.29   3.07) =  44.756%  kept
          HN    LEU   67 - QD1   LEU  115  11.25 +/- 0.98   0.159% *  0.1519% (0.20   0.02   0.02) =   0.001%
          HE3   TRP   27 - QD1   LEU  115  16.43 +/- 1.22   0.011% *  0.7523% (0.98   0.02   0.02) =   0.000%
          HN    THR   23 - QD1   LEU  115  18.23 +/- 1.27   0.006% *  0.4038% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  115  20.02 +/- 1.48   0.004% *  0.2134% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 2 structures by 0.25 A, kept.
 
    Peak 3257 (7.19, 0.43, 25.13 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.56, residual support = 29.1:
          QD    PHE   59 - QD1   LEU  115   2.77 +/- 0.77  99.948% * 98.7433% (0.95   4.56  29.11) = 100.000%  kept
          HH2   TRP   49 - QD1   LEU  115  13.42 +/- 1.90   0.044% *  0.3822% (0.84   0.02   0.02) =   0.000%
          HE21  GLN   30 - QD1   LEU  115  17.25 +/- 1.62   0.005% *  0.4416% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   27 - QD1   LEU  115  17.80 +/- 1.23   0.003% *  0.4329% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3258 (7.03, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.834, support = 0.0199, residual support = 3.06:
          QD    PHE   95 - QD2   LEU  115   5.71 +/- 0.96  98.802% * 75.7271% (0.84   0.02   3.07) =  99.613%  kept
          HN    ALA   47 - QD2   LEU  115  12.82 +/- 1.23   1.198% * 24.2729% (0.27   0.02   0.02) =   0.387%
    Distance limit 3.40 A violated in 17 structures by 2.31 A, eliminated.
    Peak unassigned.
 
    Peak 3259 (7.25, 0.59, 23.43 ppm):
    5 chemical-shift based assignments, quality = 0.896, support = 2.61, residual support = 29.1:
          QE    PHE   59 - QD2   LEU  115   3.54 +/- 0.80  58.601% * 83.5244% (0.89   2.88  29.11) =  88.453%  kept
          HN    PHE   59 - QD2   LEU  115   4.02 +/- 1.12  40.749% * 15.6764% (0.93   0.52  29.11) =  11.544%  kept
          HN    HIS  122 - QD2   LEU  115   7.72 +/- 0.53   0.487% *  0.2817% (0.43   0.02   0.02) =   0.002%
          HN    LYS+  66 - QD2   LEU  115   9.55 +/- 0.99   0.144% *  0.2817% (0.43   0.02   0.02) =   0.001%
          HH2   TRP   87 - QD2   LEU  115  17.83 +/- 2.47   0.018% *  0.2358% (0.36   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 1 structures by 0.32 A, kept.
 
    Peak 3260 (1.01, 4.01, 60.31 ppm):
    8 chemical-shift based assignments, quality = 0.607, support = 3.99, residual support = 14.8:
        T QD1   ILE  119 - HA    GLN  116   2.85 +/- 0.77  99.608% * 99.5742% (0.61 10.00   3.99  14.80) = 100.000%  kept
          QD1   LEU   67 - HA    GLN  116  11.55 +/- 2.59   0.228% *  0.0560% (0.34  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    GLN  116  10.92 +/- 0.85   0.087% *  0.0325% (0.20  1.00   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    GLN  116  13.30 +/- 1.14   0.029% *  0.0616% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    GLN  116  14.12 +/- 1.10   0.020% *  0.0507% (0.31  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    GLN  116  13.40 +/- 0.66   0.023% *  0.0409% (0.25  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    GLN  116  20.00 +/- 1.62   0.002% *  0.1553% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    GLN  116  18.47 +/- 1.54   0.003% *  0.0288% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 1 structures by 0.17 A, kept.
 
    Peak 3261 (0.59, 4.01, 60.31 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 6.3, residual support = 102.1:
          QD2   LEU  115 - HA    GLN  116   2.21 +/- 0.23  99.697% * 98.5627% (0.92   6.30 102.11) =  99.999%  kept
          QD1   LEU   63 - HA    GLN  116   7.12 +/- 1.23   0.135% *  0.3321% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    GLN  116   7.32 +/- 1.68   0.164% *  0.1519% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLN  116  13.21 +/- 1.33   0.003% *  0.2327% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLN  116  17.71 +/- 0.94   0.000% *  0.3321% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLN  116  20.77 +/- 1.54   0.000% *  0.3039% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLN  116  20.30 +/- 1.41   0.000% *  0.0845% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3262 (7.93, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 2.56, residual support = 14.8:
          HN    ILE  119 - HA    GLN  116   3.30 +/- 0.27  99.997% * 97.2276% (0.57   2.56  14.80) = 100.000%  kept
          HN    CYS   21 - HA    GLN  116  22.56 +/- 1.30   0.001% *  1.2924% (0.97   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN  116  22.84 +/- 0.83   0.001% *  0.4568% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    GLN  116  27.11 +/- 1.21   0.000% *  0.7582% (0.57   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLN  116  26.81 +/- 1.37   0.000% *  0.2650% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3263 (8.17, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.979, support = 6.99, residual support = 122.9:
      O   HN    GLN  116 - HA    GLN  116   2.76 +/- 0.04  94.386% * 90.2779% (0.98  10.0   7.02 123.65) =  99.429%  kept
          HN    THR  118 - HA    GLN  116   4.53 +/- 0.27   5.122% *  9.5518% (0.80   1.0   2.59   0.02) =   0.571%  kept
          HN    GLU- 114 - HA    GLN  116   6.90 +/- 0.25   0.397% *  0.0769% (0.84   1.0   0.02   0.15) =   0.000%
          HN    PHE   60 - HA    GLN  116   9.01 +/- 0.81   0.094% *  0.0521% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLN  116  17.84 +/- 1.39   0.001% *  0.0413% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3264 (4.38, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.487, support = 0.75, residual support = 1.5:
          HA    ASP- 113 - HB2   GLN  116   3.17 +/- 0.57  99.633% * 66.5564% (0.49  1.00   0.75   1.50) =  99.966%  kept
        T HA    PRO   58 - HB2   GLN  116  11.34 +/- 1.54   0.086% * 14.9903% (0.41 10.00   0.02   0.02) =   0.019%
          HA    ILE   56 - HB2   GLN  116   9.62 +/- 1.17   0.224% *  3.5189% (0.97  1.00   0.02   0.02) =   0.012%
          HA    LEU  123 - HB2   GLN  116  12.36 +/- 0.74   0.052% *  3.6382% (1.00  1.00   0.02   0.02) =   0.003%
          HA    LYS+  99 - HB2   GLN  116  21.48 +/- 0.97   0.002% *  3.0456% (0.84  1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   GLN  116  21.09 +/- 1.20   0.002% *  2.0644% (0.57  1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   GLN  116  23.80 +/- 1.34   0.001% *  1.3685% (0.38  1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   GLN  116  28.38 +/- 0.94   0.000% *  3.4492% (0.95  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN  116  30.08 +/- 1.51   0.000% *  1.3685% (0.38  1.00   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3265 (0.57, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.448, support = 7.02, residual support = 102.1:
          QD2   LEU  115 - HB2   GLN  116   3.45 +/- 0.65  99.241% * 97.5336% (0.45   7.02 102.11) =  99.996%  kept
          QD2   LEU   63 - HB2   GLN  116   9.50 +/- 1.67   0.356% *  0.5722% (0.92   0.02   0.02) =   0.002%
          QD1   LEU   63 - HB2   GLN  116   9.17 +/- 1.24   0.357% *  0.4964% (0.80   0.02   0.02) =   0.002%
          QD1   LEU  104 - HB2   GLN  116  14.80 +/- 1.22   0.024% *  0.1380% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   GLN  116  19.48 +/- 0.85   0.005% *  0.4964% (0.80   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   GLN  116  18.74 +/- 0.78   0.006% *  0.2326% (0.38   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   GLN  116  17.74 +/- 0.97   0.008% *  0.1380% (0.22   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   GLN  116  22.09 +/- 1.55   0.002% *  0.2548% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   GLN  116  22.76 +/- 2.08   0.002% *  0.1380% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3266 (0.59, 2.54, 34.75 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 7.0, residual support = 102.1:
          QD2   LEU  115 - HG2   GLN  116   2.73 +/- 0.69  99.540% * 98.7959% (1.00   7.00 102.11) =  99.999%  kept
          QD1   LEU   63 - HG2   GLN  116   8.49 +/- 0.87   0.219% *  0.2359% (0.84   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG2   GLN  116   8.83 +/- 1.29   0.226% *  0.0704% (0.25   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG2   GLN  116  14.92 +/- 1.30   0.012% *  0.2533% (0.90   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG2   GLN  116  19.06 +/- 1.13   0.002% *  0.2359% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG2   GLN  116  21.72 +/- 1.83   0.001% *  0.2818% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG2   GLN  116  21.36 +/- 1.51   0.001% *  0.1266% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3267 (7.40, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 4.4, residual support = 123.6:
      O   HE21  GLN  116 - HG2   GLN  116   2.58 +/- 0.53  97.703% * 99.6673% (0.65  10.0   4.40 123.65) =  99.999%  kept
          HN    ALA  120 - HG2   GLN  116   6.12 +/- 0.97   2.239% *  0.0428% (0.28   1.0   0.02   0.15) =   0.001%
          HN    ALA   57 - HG2   GLN  116  10.33 +/- 1.58   0.057% *  0.1119% (0.73   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG2   GLN  116  26.33 +/- 2.05   0.000% *  0.1510% (0.98   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG2   GLN  116  30.32 +/- 1.66   0.000% *  0.0270% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 7.38, residual support = 123.6:
          HN    GLN  116 - HG2   GLN  116   3.16 +/- 0.48  95.825% * 99.1018% (0.80   7.38 123.65) =  99.988%  kept
          HN    THR  118 - HG2   GLN  116   6.25 +/- 0.51   2.843% *  0.3289% (0.98   0.02   0.02) =   0.010%
          HN    GLU- 114 - HG2   GLN  116   6.88 +/- 0.70   1.135% *  0.1145% (0.34   0.02   0.15) =   0.001%
          HN    PHE   60 - HG2   GLN  116   9.73 +/- 1.19   0.196% *  0.3289% (0.98   0.02   0.02) =   0.001%
          HN    GLU-  15 - HG2   GLN  116  23.97 +/- 1.85   0.001% *  0.1259% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3269 (7.34, 2.37, 29.51 ppm):
    8 chemical-shift based assignments, quality = 0.634, support = 0.0199, residual support = 0.0199:
          QE    PHE   95 - HB2   GLN  116   9.75 +/- 1.27  44.733% * 15.3326% (0.76   0.02   0.02) =  62.171%  kept
          QD    PHE   55 - HB2   GLN  116   9.64 +/- 1.92  51.938% *  6.8436% (0.34   0.02   0.02) =  32.218%  kept
          HN    LEU   67 - HB2   GLN  116  15.62 +/- 1.12   2.685% * 20.0629% (1.00   0.02   0.02) =   4.883%  kept
          HD1   TRP   49 - HB2   GLN  116  22.90 +/- 2.75   0.279% * 16.7579% (0.84   0.02   0.02) =   0.423%
          HN    THR   23 - HB2   GLN  116  27.22 +/- 1.52   0.087% * 16.0651% (0.80   0.02   0.02) =   0.127%
          HE3   TRP   27 - HB2   GLN  116  24.19 +/- 1.20   0.184% *  5.5782% (0.28   0.02   0.02) =   0.093%
          HD2   HIS   22 - HB2   GLN  116  30.03 +/- 1.60   0.050% * 13.7814% (0.69   0.02   0.02) =   0.062%
          HD21  ASN   35 - HB2   GLN  116  30.37 +/- 1.30   0.044% *  5.5782% (0.28   0.02   0.02) =   0.022%
    Distance limit 3.73 A violated in 20 structures by 4.44 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 = 123.6:
      O   HN    GLN  116 - HB2   GLN  116   2.14 +/- 0.10  98.990% * 99.7303% (0.98  10.0   7.63 123.65) =  99.999%  kept
          HN    GLU- 114 - HB2   GLN  116   5.23 +/- 0.40   0.535% *  0.0850% (0.84   1.0   0.02   0.15) =   0.000%
          HN    THR  118 - HB2   GLN  116   5.38 +/- 0.37   0.468% *  0.0815% (0.80   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB2   GLN  116  11.01 +/- 0.91   0.006% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   GLN  116  20.39 +/- 1.22   0.000% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 27.8:
          HN    SER  117 - HB2   GLN  116   3.04 +/- 0.26  99.999% * 99.5612% (0.98   4.90  27.81) = 100.000%  kept
          HN    GLY   16 - HB2   GLN  116  21.72 +/- 1.36   0.001% *  0.3464% (0.84   0.02   0.02) =   0.000%
          HN    SER   82 - HB2   GLN  116  29.84 +/- 1.33   0.000% *  0.0923% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3272 (8.67, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.9, residual support = 27.8:
      O   HN    SER  117 - HA    GLN  116   3.59 +/- 0.03  99.995% * 99.8922% (0.98  10.0   4.90  27.81) = 100.000%  kept
          HN    GLY   16 - HA    GLN  116  19.06 +/- 1.24   0.005% *  0.0851% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLN  116  28.64 +/- 1.33   0.000% *  0.0227% (0.22   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3273 (1.48, 4.24, 61.69 ppm):
    10 chemical-shift based assignments, quality = 0.922, support = 1.99, residual support = 5.51:
        T QB    ALA  120 - HA    SER  117   3.13 +/- 0.34  90.530% * 98.3079% (0.92 10.00   1.99   5.51) =  99.905%  kept
          HD2   LYS+ 121 - HA    SER  117   5.43 +/- 1.85   8.587% *  0.9760% (0.18  1.00   1.04   0.02) =   0.094%
          HG    LEU  115 - HA    SER  117   7.74 +/- 0.63   0.522% *  0.0988% (0.92  1.00   0.02   1.99) =   0.001%
          HB3   LEU  115 - HA    SER  117   8.23 +/- 0.13   0.329% *  0.0402% (0.38  1.00   0.02   1.99) =   0.000%
          HG    LEU   67 - HA    SER  117  15.94 +/- 3.61   0.013% *  0.0521% (0.49  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    SER  117  17.28 +/- 2.06   0.005% *  0.1071% (1.00  1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    SER  117  16.02 +/- 1.92   0.008% *  0.0402% (0.38  1.00   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    SER  117  23.62 +/- 1.14   0.001% *  0.2976% (0.28 10.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    SER  117  17.02 +/- 1.41   0.004% *  0.0238% (0.22  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    SER  117  21.83 +/- 1.33   0.001% *  0.0563% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.12 A, kept.
 
    Peak 3274 (7.40, 4.24, 61.69 ppm):
    5 chemical-shift based assignments, quality = 0.418, support = 1.26, residual support = 14.0:
          HN    ALA  120 - HA    SER  117   3.62 +/- 0.22  91.354% * 13.0001% (0.28   0.75   5.51) =  61.937%  kept
          HE21  GLN  116 - HA    SER  117   6.12 +/- 1.29   8.621% * 84.6540% (0.65   2.10  27.81) =  38.062%  kept
          HN    ALA   57 - HA    SER  117  14.63 +/- 1.07   0.024% *  0.9054% (0.73   0.02   0.02) =   0.001%
          HE21  GLN   90 - HA    SER  117  27.50 +/- 2.40   0.001% *  1.2222% (0.98   0.02   0.02) =   0.000%
          HD21  ASN   35 - HA    SER  117  28.07 +/- 1.80   0.000% *  0.2184% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3275 (8.68, 4.24, 61.69 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 3.54, residual support = 15.0:
      O   HN    SER  117 - HA    SER  117   2.77 +/- 0.04  99.999% * 99.9049% (0.57  10.0   3.54  15.05) = 100.000%  kept
          HN    GLY   16 - HA    SER  117  21.59 +/- 1.24   0.000% *  0.0602% (0.34   1.0   0.02   0.02) =   0.000%
          HN    ALA   20 - HA    SER  117  25.56 +/- 1.08   0.000% *  0.0349% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3278 (7.30, 3.93, 63.04 ppm):
    15 chemical-shift based assignments, quality = 0.19, support = 0.0199, residual support = 0.0199:
          HN    LYS+  81 - QB    SER   85   6.75 +/- 0.51  64.897% *  3.4992% (0.12   0.02   0.02) =  53.040%  kept
          QE    PHE   95 - QB    SER  117   9.38 +/- 1.41  14.101% *  4.5788% (0.15   0.02   0.02) =  15.080%  kept
          QD    PHE   55 - QB    SER  117  11.34 +/- 1.17   3.867% * 14.4446% (0.49   0.02   0.02) =  13.046%  kept
          HN    LYS+  81 - QB    SER   48  11.65 +/- 2.79   4.972% *  5.8981% (0.20   0.02   0.02) =   6.849%  kept
          QD    PHE   60 - QB    SER  117  12.56 +/- 1.06   1.799% * 12.2000% (0.41   0.02   0.02) =   5.127%  kept
          QD    PHE   60 - QB    SER   48  12.17 +/- 1.79   2.699% *  3.1728% (0.11   0.02   0.02) =   2.000%  kept
          HE3   TRP   27 - QB    SER   85  12.12 +/- 2.11   3.067% *  2.5923% (0.09   0.02   0.02) =   1.857%  kept
          QD    PHE   55 - QB    SER   48  13.19 +/- 1.25   1.467% *  3.7566% (0.13   0.02   0.02) =   1.287%  kept
          HE3   TRP   27 - QB    SER   48  15.40 +/- 1.25   0.524% *  4.3694% (0.15   0.02   0.02) =   0.535%  kept
          QE    PHE   95 - QB    SER   48  12.81 +/- 1.47   1.887% *  1.1908% (0.04   0.02   0.02) =   0.525%  kept
          HE3   TRP   27 - QB    SER  117  20.60 +/- 2.00   0.090% * 16.8009% (0.57   0.02   0.02) =   0.354%
          HN    LYS+  81 - QB    SER  117  26.27 +/- 1.85   0.020% * 22.6789% (0.76   0.02   0.02) =   0.109%
          QD    PHE   60 - QB    SER   85  17.48 +/- 1.45   0.229% *  1.8824% (0.06   0.02   0.02) =   0.101%
          QE    PHE   95 - QB    SER   85  16.73 +/- 1.36   0.302% *  0.7065% (0.02   0.02   0.02) =   0.050%
          QD    PHE   55 - QB    SER   85  20.80 +/- 1.51   0.079% *  2.2287% (0.08   0.02   0.02) =   0.041%
    Distance limit 3.79 A violated in 20 structures by 2.46 A, eliminated.
    Peak unassigned.
 
    Peak 3280 (0.23, 3.88, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.57, residual support = 36.2:
      O T QG2   THR  118 - HB    THR  118   2.16 +/- 0.01 100.000% *100.0000% (0.98  10.0 10.00   3.57  36.15) = 100.000%  kept
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3281 (1.10, 3.88, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 1.5, residual support = 5.95:
          QG1   VAL  107 - HB    THR  118   1.88 +/- 0.28  99.566% * 96.8315% (0.98   1.50   5.95) =  99.999%  kept
          HG13  ILE  119 - HB    THR  118   5.28 +/- 0.38   0.416% *  0.2932% (0.22   0.02  34.40) =   0.001%
          HD3   LYS+ 112 - HB    THR  118  10.47 +/- 1.45   0.018% *  1.1002% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    THR  118  18.40 +/- 1.64   0.000% *  1.2159% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    THR  118  19.85 +/- 1.77   0.000% *  0.2307% (0.18   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    THR  118  20.74 +/- 1.30   0.000% *  0.3284% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3282 (7.24, 3.88, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.49, support = 1.7, residual support = 9.62:
          QE    PHE   59 - HB    THR  118   3.25 +/- 1.42  93.593% * 38.8706% (0.45   1.74  10.14) =  91.217%  kept
          HN    HIS  122 - HB    THR  118   6.91 +/- 0.29   5.887% * 59.4358% (0.92   1.29   4.25) =   8.772%  kept
          HN    PHE   59 - HB    THR  118   8.79 +/- 1.40   0.497% *  0.8308% (0.84   0.02  10.14) =   0.010%
          HH2   TRP   87 - HB    THR  118  18.19 +/- 2.86   0.023% *  0.8628% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 2 structures by 0.24 A, kept.
 
    Peak 3283 (8.18, 3.88, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.56, residual support = 36.2:
      O   HN    THR  118 - HB    THR  118   2.20 +/- 0.13  99.162% * 99.7459% (0.98  10.0   3.56  36.15) =  99.999%  kept
          HN    GLN  116 - HB    THR  118   5.30 +/- 0.43   0.653% *  0.0815% (0.80   1.0   0.02   0.02) =   0.001%
          HN    GLU- 114 - HB    THR  118   6.81 +/- 0.85   0.161% *  0.0347% (0.34   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HB    THR  118   9.27 +/- 0.95   0.023% *  0.0997% (0.98   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HB    THR  118  22.55 +/- 1.65   0.000% *  0.0382% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3284 (0.26, 3.69, 26.01 ppm):
    1 chemical-shift based assignment, quality = 0.138, support = 3.57, residual support = 36.2:
      O T QG2   THR  118 - HA    THR  118   2.57 +/- 0.14 100.000% *100.0000% (0.14  10.0 10.00   3.57  36.15) = 100.000%  kept
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3285 (0.95, 3.69, 26.01 ppm):
    5 chemical-shift based assignments, quality = 0.862, support = 0.0199, residual support = 34.2:
        T QG2   ILE  119 - HA    THR  118   6.02 +/- 0.05  86.858% * 82.9340% (0.87 10.00   0.02  34.40) =  99.546%  kept
          QG2   ILE  103 - HA    THR  118   8.81 +/- 1.15  10.683% *  1.5050% (0.16  1.00   0.02   0.02) =   0.222%
          QD1   ILE  103 - HA    THR  118  11.61 +/- 1.18   1.953% *  7.1780% (0.75  1.00   0.02   0.02) =   0.194%
          QD2   LEU   71 - HA    THR  118  15.90 +/- 2.05   0.400% *  6.2402% (0.65  1.00   0.02   0.02) =   0.034%
          HG3   LYS+  74 - HA    THR  118  19.11 +/- 1.72   0.105% *  2.1428% (0.22  1.00   0.02   0.02) =   0.003%
    Distance limit 3.14 A violated in 20 structures by 2.87 A, eliminated.
    Peak unassigned.
 
    Peak 3286 (1.10, 3.69, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.787, support = 1.91, residual support = 9.79:
          QG1   VAL  107 - HA    THR  118   3.91 +/- 0.27  94.950% * 24.6419% (0.88  1.00   1.50   5.95) =  86.488%  kept
        T HG13  ILE  119 - HA    THR  118   6.52 +/- 0.23   4.898% * 74.6264% (0.20 10.00   4.53  34.40) =  13.511%  kept
          HD3   LYS+ 112 - HA    THR  118  12.64 +/- 1.36   0.135% *  0.2800% (0.75  1.00   0.02   0.02) =   0.001%
          QG1   VAL   24 - HA    THR  118  19.60 +/- 1.68   0.007% *  0.3094% (0.83  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    THR  118  20.93 +/- 1.71   0.004% *  0.0836% (0.22  1.00   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    THR  118  20.93 +/- 1.97   0.005% *  0.0587% (0.16  1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 1 structures by 0.46 A, kept.
 
    Peak 3287 (1.50, 3.69, 26.01 ppm):
    10 chemical-shift based assignments, quality = 0.599, support = 2.79, residual support = 9.74:
          HD2   LYS+ 121 - HA    THR  118   2.93 +/- 1.34  71.209% * 33.7910% (0.89  1.00   2.61   9.74) =  56.370%  kept
        T HB3   LYS+ 121 - HA    THR  118   3.56 +/- 0.43  28.620% * 65.0728% (0.22 10.00   3.02   9.74) =  43.630%  kept
          QD    LYS+  66 - HA    THR  118  11.41 +/- 2.35   0.047% *  0.1895% (0.65  1.00   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR  118  10.88 +/- 1.91   0.048% *  0.0651% (0.22  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    THR  118  10.54 +/- 2.13   0.058% *  0.0457% (0.16  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR  118  16.04 +/- 1.47   0.003% *  0.2610% (0.90  1.00   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    THR  118  13.51 +/- 2.35   0.012% *  0.0581% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    THR  118  18.99 +/- 1.59   0.001% *  0.2180% (0.75  1.00   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    THR  118  20.59 +/- 1.55   0.001% *  0.2587% (0.89  1.00   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    THR  118  17.71 +/- 1.97   0.002% *  0.0403% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3288 (2.05, 3.69, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.682, support = 0.0199, residual support = 34.2:
        T HB    ILE  119 - HA    THR  118   5.60 +/- 0.07  94.166% * 57.0728% (0.69 10.00   0.02  34.40) =  99.509%  kept
          HB    VAL  108 - HA    THR  118  10.76 +/- 0.61   2.005% *  7.0645% (0.85  1.00   0.02   0.02) =   0.262%
          HB2   PRO   93 - HA    THR  118  14.54 +/- 2.13   0.682% *  7.0645% (0.85  1.00   0.02   0.02) =   0.089%
          HB2   ARG+  54 - HA    THR  118  18.85 +/- 2.86   0.487% *  7.3202% (0.88  1.00   0.02   0.02) =   0.066%
          HG2   PRO   58 - HA    THR  118  12.29 +/- 1.96   2.141% *  1.3079% (0.16  1.00   0.02   0.02) =   0.052%
          HB3   GLU- 100 - HA    THR  118  18.90 +/- 2.06   0.077% *  5.1298% (0.62  1.00   0.02   0.02) =   0.007%
          HB3   PRO   68 - HA    THR  118  16.30 +/- 2.59   0.282% *  1.1523% (0.14  1.00   0.02   0.02) =   0.006%
          HB2   GLN   30 - HA    THR  118  21.40 +/- 1.95   0.037% *  5.7073% (0.69  1.00   0.02   0.02) =   0.004%
          HG3   PRO   52 - HA    THR  118  19.08 +/- 2.14   0.082% *  1.3079% (0.16  1.00   0.02   0.02) =   0.002%
          HG3   GLN   30 - HA    THR  118  23.22 +/- 2.03   0.023% *  3.3482% (0.40  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  14 - HA    THR  118  25.06 +/- 2.21   0.014% *  1.6626% (0.20  1.00   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    THR  118  33.27 +/- 3.27   0.003% *  1.8622% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 20 structures by 1.81 A, eliminated.
    Peak unassigned.
 
    Peak 3289 (2.28, 3.69, 26.01 ppm):
    8 chemical-shift based assignments, quality = 0.401, support = 0.02, residual support = 34.4:
        T HG12  ILE  119 - HA    THR  118   5.47 +/- 0.14  99.263% * 44.9828% (0.40 10.00   0.02  34.40) =  99.850%  kept
          HB2   ASP-  44 - HA    THR  118  14.36 +/- 1.19   0.341% *  9.4912% (0.85  1.00   0.02   0.02) =   0.072%
          HB3   PHE   72 - HA    THR  118  15.36 +/- 1.57   0.255% *  8.7032% (0.78  1.00   0.02   0.02) =   0.050%
          QG    GLU-  15 - HA    THR  118  19.22 +/- 2.51   0.073% *  9.9446% (0.89  1.00   0.02   0.02) =   0.016%
          QG    GLN   90 - HA    THR  118  21.24 +/- 1.32   0.031% *  8.0341% (0.72  1.00   0.02   0.02) =   0.006%
          QG    GLU-  14 - HA    THR  118  22.51 +/- 1.93   0.025% *  9.2620% (0.83  1.00   0.02   0.02) =   0.005%
          QB    MET   11 - HA    THR  118  29.45 +/- 2.55   0.005% *  8.0341% (0.72  1.00   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HA    THR  118  26.81 +/- 1.76   0.008% *  1.5481% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 20 structures by 1.67 A, eliminated.
    Peak unassigned.
 
    Peak 3290 (3.89, 3.69, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.0, residual support = 36.2:
      O T HB    THR  118 - HA    THR  118   3.03 +/- 0.05  99.942% * 99.8099% (0.72  10.0 10.00   3.00  36.15) = 100.000%  kept
          HA    PHE   60 - HA    THR  118  11.09 +/- 1.13   0.054% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR  118  18.90 +/- 2.16   0.002% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR  118  19.88 +/- 1.49   0.001% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    THR  118  22.62 +/- 2.28   0.001% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR  118  24.62 +/- 2.22   0.000% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3291 (7.19, 3.69, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.844, support = 0.0199, residual support = 10.1:
          QD    PHE   59 - HA    THR  118   6.86 +/- 0.96  99.428% * 25.6201% (0.85   0.02  10.14) =  99.444%  kept
          HE21  GLN   30 - HA    THR  118  20.29 +/- 2.06   0.234% * 26.1376% (0.87   0.02   0.02) =   0.239%
          HD1   TRP   27 - HA    THR  118  21.29 +/- 1.60   0.162% * 25.6201% (0.85   0.02   0.02) =   0.162%
          HH2   TRP   49 - HA    THR  118  21.72 +/- 2.76   0.176% * 22.6222% (0.75   0.02   0.02) =   0.156%
    Distance limit 3.44 A violated in 20 structures by 3.41 A, eliminated.
    Peak unassigned.
 
    Peak 3292 (7.48, 3.69, 26.01 ppm):
    3 chemical-shift based assignments, quality = 0.471, support = 0.02, residual support = 0.02:
          HN    LEU  123 - HA    THR  118   6.88 +/- 0.27  99.732% * 43.4534% (0.47   0.02   0.02) =  99.800%  kept
          HZ2   TRP   49 - HA    THR  118  21.89 +/- 3.13   0.180% * 40.2018% (0.44   0.02   0.02) =   0.166%
          HE21  GLN   17 - HA    THR  118  22.82 +/- 1.95   0.088% * 16.3448% (0.18   0.02   0.02) =   0.033%
    Distance limit 3.83 A violated in 20 structures by 3.05 A, eliminated.
    Peak unassigned.
 
    Peak 3293 (7.93, 3.69, 26.01 ppm):
    5 chemical-shift based assignments, quality = 0.508, support = 5.29, residual support = 34.4:
      O   HN    ILE  119 - HA    THR  118   3.51 +/- 0.03  99.993% * 99.6357% (0.51  10.0   5.29  34.40) = 100.000%  kept
          HN    CYS   21 - HA    THR  118  21.74 +/- 1.74   0.002% *  0.1698% (0.87   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    THR  118  20.98 +/- 1.40   0.002% *  0.0600% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    THR  118  23.80 +/- 1.89   0.001% *  0.0996% (0.51   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    THR  118  23.06 +/- 2.14   0.001% *  0.0348% (0.18   1.0   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3294 (8.20, 3.69, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.508, support = 3.58, residual support = 36.2:
      O   HN    THR  118 - HA    THR  118   2.84 +/- 0.04  99.524% * 99.6520% (0.51  10.0   3.58  36.15) = 100.000%  kept
          HN    GLN  116 - HA    THR  118   7.00 +/- 0.23   0.452% *  0.0543% (0.28   1.0   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    THR  118  11.55 +/- 0.81   0.024% *  0.1409% (0.72   1.0   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    THR  118  23.13 +/- 1.97   0.000% *  0.1527% (0.78   1.0   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3295 (3.70, 3.88, 26.66 ppm):
    7 chemical-shift based assignments, quality = 0.379, support = 3.05, residual support = 36.1:
      O T HA    THR  118 - HB    THR  118   3.03 +/- 0.05  92.577% * 73.7007% (0.38  10.0 10.00   3.00  36.15) =  97.347%  kept
          HA    ILE  119 - HB    THR  118   4.69 +/- 0.22   7.185% * 25.8807% (0.53   1.0  1.00   5.01  34.40) =   2.653%  kept
          HD3   PRO   58 - HB    THR  118  10.23 +/- 1.56   0.157% *  0.0956% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA2   GLY  109 - HB    THR  118  10.56 +/- 1.04   0.076% *  0.0303% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    THR  118  18.61 +/- 1.63   0.002% *  0.1501% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    THR  118  21.34 +/- 2.23   0.001% *  0.0880% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    THR  118  20.28 +/- 1.35   0.001% *  0.0546% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.20 A, kept.
 
    Peak 3296 (1.11, 0.24, 62.25 ppm):
    6 chemical-shift based assignments, quality = 0.511, support = 3.16, residual support = 6.8:
          QG1   VAL  107 - QG2   THR  118   2.04 +/- 0.55  98.574% * 31.2260% (0.51   3.09   5.95) =  97.012%  kept
          HG13  ILE  119 - QG2   THR  118   4.87 +/- 0.50   1.399% * 67.7712% (0.62   5.53  34.40) =   2.987%  kept
          HD3   LYS+ 112 - QG2   THR  118  10.35 +/- 1.15   0.017% *  0.3443% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   THR  118  14.37 +/- 1.38   0.003% *  0.3200% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   THR  118  15.59 +/- 1.22   0.002% *  0.2591% (0.65   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   THR  118  14.38 +/- 1.32   0.005% *  0.0794% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3297 (1.88, 0.24, 62.25 ppm):
    13 chemical-shift based assignments, quality = 0.253, support = 1.59, residual support = 5.11:
        T HB3   ASP- 105 - QG2   THR  118   3.36 +/- 0.91  86.555% * 76.7686% (0.25 10.00   1.59   5.16) =  98.020%  kept
          QB    LYS+ 106 - QG2   THR  118   5.15 +/- 0.79   7.673% * 15.5718% (0.51  1.00   1.59   2.89) =   1.763%  kept
          HB3   PRO   58 - QG2   THR  118  10.61 +/- 1.76   2.512% *  5.6497% (0.62  1.00   0.47   0.02) =   0.209%
          HB    ILE   56 - QG2   THR  118   8.50 +/- 1.22   0.942% *  0.3280% (0.85  1.00   0.02   0.02) =   0.005%
          HG2   ARG+  54 - QG2   THR  118  14.28 +/- 2.59   1.966% *  0.0865% (0.22  1.00   0.02   0.02) =   0.003%
          HB2   MET   92 - QG2   THR  118  11.95 +/- 0.84   0.066% *  0.3008% (0.78  1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   THR  118   9.70 +/- 0.99   0.150% *  0.0772% (0.20  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   THR  118  11.98 +/- 2.00   0.100% *  0.0686% (0.18  1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   THR  118  15.93 +/- 1.38   0.010% *  0.3347% (0.87  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   THR  118  15.99 +/- 1.48   0.009% *  0.3460% (0.89  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   THR  118  16.41 +/- 1.51   0.009% *  0.1302% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   THR  118  17.48 +/- 0.94   0.006% *  0.1555% (0.40  1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   THR  118  19.32 +/- 1.29   0.003% *  0.1825% (0.47  1.00   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 1 structures by 0.22 A, kept.
 
    Peak 3298 (2.25, 0.24, 62.25 ppm):
    11 chemical-shift based assignments, quality = 0.546, support = 2.05, residual support = 8.91:
        T HB2   ASP- 105 - QG2   THR  118   2.86 +/- 0.98  77.519% * 65.6039% (0.51 10.00   1.59   5.16) =  87.172%  kept
          HG12  ILE  119 - QG2   THR  118   3.90 +/- 0.46  22.194% * 33.7209% (0.80  1.00   5.17  34.40) =  12.828%  kept
          HB3   PHE   72 - QG2   THR  118  10.69 +/- 1.53   0.106% *  0.0708% (0.44  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - QG2   THR  118   9.52 +/- 1.09   0.125% *  0.0546% (0.34  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   THR  118  12.67 +/- 1.39   0.023% *  0.1343% (0.83  1.00   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   THR  118  14.75 +/- 2.24   0.013% *  0.0405% (0.25  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   THR  118  15.87 +/- 0.99   0.005% *  0.0824% (0.51  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   THR  118  14.95 +/- 1.23   0.007% *  0.0405% (0.25  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   THR  118  17.25 +/- 1.87   0.004% *  0.0598% (0.37  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   THR  118  20.17 +/- 1.44   0.001% *  0.1427% (0.88  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   THR  118  17.30 +/- 1.39   0.004% *  0.0496% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3299 (3.70, 0.24, 62.25 ppm):
    7 chemical-shift based assignments, quality = 0.361, support = 3.82, residual support = 35.8:
      O T HA    THR  118 - QG2   THR  118   2.57 +/- 0.14  86.019% * 41.5367% (0.34  10.0 10.00   3.57  36.15) =  81.966%  kept
        T HA    ILE  119 - QG2   THR  118   3.62 +/- 0.24  13.500% * 58.2274% (0.47   1.0 10.00   4.96  34.40) =  18.033%  kept
          HD3   PRO   58 - QG2   THR  118   9.21 +/- 1.54   0.441% *  0.0539% (0.44   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  109 - QG2   THR  118   9.77 +/- 0.70   0.034% *  0.0171% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   THR  118  14.69 +/- 1.29   0.003% *  0.0846% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   THR  118  18.12 +/- 2.11   0.001% *  0.0496% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   THR  118  16.34 +/- 1.29   0.001% *  0.0308% (0.25   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3300 (3.89, 0.24, 62.25 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.57, residual support = 36.2:
      O T HB    THR  118 - QG2   THR  118   2.16 +/- 0.01  99.856% * 99.8099% (0.72  10.0 10.00   3.57  36.15) = 100.000%  kept
          HA    PHE   60 - QG2   THR  118   7.19 +/- 1.19   0.140% *  0.0218% (0.16   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR  118  14.50 +/- 1.46   0.001% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   THR  118  14.28 +/- 1.65   0.002% *  0.0347% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR  118  17.46 +/- 1.73   0.000% *  0.0512% (0.37   1.0  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR  118  19.18 +/- 2.08   0.000% *  0.0311% (0.22   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3301 (6.83, 0.24, 62.25 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 1.38, residual support = 4.25:
          HD2   HIS  122 - QG2   THR  118   3.25 +/- 0.18  99.498% * 97.4862% (0.90   1.38   4.25) =  99.994%  kept
          HE22  GLN  116 - QG2   THR  118   8.74 +/- 0.69   0.309% *  1.4058% (0.89   0.02   0.02) =   0.004%
          QD    PHE   45 - QG2   THR  118   9.51 +/- 0.87   0.188% *  0.5288% (0.34   0.02   0.02) =   0.001%
          HE22  GLN   17 - QG2   THR  118  18.14 +/- 1.79   0.005% *  0.5792% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.26 A, kept.
 
    Peak 3302 (7.19, 0.24, 62.25 ppm):
    4 chemical-shift based assignments, quality = 0.848, support = 3.14, residual support = 10.1:
          QD    PHE   59 - QG2   THR  118   4.37 +/- 1.02  99.565% * 98.1863% (0.85   3.14  10.14) =  99.997%  kept
          HE21  GLN   30 - QG2   THR  118  14.86 +/- 1.80   0.173% *  0.6374% (0.87   0.02   0.02) =   0.001%
          HD1   TRP   27 - QG2   THR  118  15.48 +/- 1.24   0.140% *  0.6247% (0.85   0.02   0.02) =   0.001%
          HH2   TRP   49 - QG2   THR  118  16.20 +/- 2.30   0.122% *  0.5516% (0.75   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 5 structures by 0.95 A, kept.
 
    Peak 3303 (0.25, 3.69, 66.88 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 4.96, residual support = 34.4:
        T QG2   THR  118 - HA    ILE  119   3.62 +/- 0.24 100.000% *100.0000% (0.57 10.00   4.96  34.40) = 100.000%  kept
    Distance limit 3.69 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3304 (1.49, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.479, support = 4.24, residual support = 43.4:
          QB    ALA  120 - HA    ILE  119   5.01 +/- 0.02  47.842% * 58.7994% (0.45   4.90  54.93) =  77.879%  kept
          HD2   LYS+ 121 - HA    ILE  119   6.04 +/- 0.74  19.977% * 35.1195% (0.61   2.16   2.06) =  19.423%  kept
          HG    LEU  115 - HA    ILE  119   6.21 +/- 1.13  22.400% *  4.2849% (0.45   0.36   9.71) =   2.657%  kept
          QD    LYS+  66 - HA    ILE  119   7.88 +/- 2.28   9.093% *  0.1336% (0.25   0.02   0.02) =   0.034%
          HG2   LYS+  65 - HA    ILE  119  11.85 +/- 1.53   0.371% *  0.3680% (0.69   0.02   0.02) =   0.004%
          HB3   LEU   40 - HA    ILE  119  12.68 +/- 2.07   0.263% *  0.3680% (0.69   0.02   0.02) =   0.003%
          HB2   LYS+  74 - HA    ILE  119  16.70 +/- 1.38   0.038% *  0.5171% (0.97   0.02   0.02) =   0.001%
          QG2   THR   26 - HA    ILE  119  19.17 +/- 1.36   0.017% *  0.4095% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 3 structures by 0.69 A, kept.
 
    Peak 3305 (7.19, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.25, residual support = 20.8:
          QD    PHE   59 - HA    ILE  119   4.21 +/- 0.90  99.931% * 97.4843% (0.95   2.25  20.77) =  99.999%  kept
          HE21  GLN   30 - HA    ILE  119  18.56 +/- 1.57   0.035% *  0.8840% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   27 - HA    ILE  119  20.56 +/- 1.72   0.021% *  0.8665% (0.95   0.02   0.02) =   0.000%
          HH2   TRP   49 - HA    ILE  119  21.53 +/- 2.64   0.013% *  0.7651% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 8 structures by 0.98 A, kept.
 
    Peak 3306 (7.92, 3.69, 66.88 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 8.74, residual support = 254.3:
      O   HN    ILE  119 - HA    ILE  119   2.82 +/- 0.04  99.998% * 99.7485% (0.98  10.0   8.74 254.29) = 100.000%  kept
          HN    CYS   21 - HA    ILE  119  19.75 +/- 1.50   0.001% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ILE  119  21.81 +/- 1.41   0.001% *  0.0850% (0.84   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE  119  22.31 +/- 2.03   0.000% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE  119  22.95 +/- 1.79   0.000% *  0.0157% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3307 (7.45, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.199, support = 5.83, residual support = 52.8:
      O   HN    ALA  120 - HA    ILE  119   3.62 +/- 0.02  89.797% * 72.6484% (0.18  10.0   5.99  54.93) =  96.144%  kept
          HN    LEU  123 - HA    ILE  119   5.26 +/- 0.22   9.856% * 26.5302% (0.80   1.0   1.60   0.02) =   3.854%  kept
          HN    ALA  124 - HA    ILE  119   9.18 +/- 0.28   0.343% *  0.4066% (0.98   1.0   0.02   0.02) =   0.002%
          HE21  GLN   17 - HA    ILE  119  19.21 +/- 1.82   0.005% *  0.4148% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3308 (4.02, 2.03, 38.31 ppm):
    9 chemical-shift based assignments, quality = 0.837, support = 2.78, residual support = 14.8:
          HA    GLN  116 - HB    ILE  119   2.38 +/- 0.52  99.993% * 96.8628% (0.84   2.78  14.80) = 100.000%  kept
          HA    VAL   70 - HB    ILE  119  15.62 +/- 1.66   0.003% *  0.6973% (0.84   0.02   0.02) =   0.000%
          HA    VAL   18 - HB    ILE  119  16.24 +/- 1.27   0.002% *  0.3802% (0.46   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB    ILE  119  16.44 +/- 1.51   0.002% *  0.2230% (0.27   0.02   0.02) =   0.000%
          HB2   SER   37 - HB    ILE  119  23.49 +/- 1.93   0.000% *  0.4674% (0.56   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    ILE  119  26.69 +/- 1.58   0.000% *  0.5247% (0.63   0.02   0.02) =   0.000%
          HA    SER   48 - HB    ILE  119  22.38 +/- 1.71   0.000% *  0.1115% (0.13   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    ILE  119  28.35 +/- 1.25   0.000% *  0.4091% (0.49   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    ILE  119  29.08 +/- 1.77   0.000% *  0.3240% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 0.523, support = 5.0, residual support = 54.5:
          HN    ALA  120 - HB    ILE  119   2.69 +/- 0.12  84.864% * 93.5609% (0.53   5.04  54.93) =  99.047%  kept
          HE21  GLN  116 - HB    ILE  119   4.31 +/- 1.00  14.622% *  5.2179% (0.22   0.68  14.80) =   0.952%  kept
          HN    LEU  123 - HB    ILE  119   6.42 +/- 0.19   0.461% *  0.1890% (0.27   0.02   0.02) =   0.001%
          HN    ALA  124 - HB    ILE  119  10.01 +/- 0.26   0.032% *  0.4904% (0.69   0.02   0.02) =   0.000%
          HN    ALA   57 - HB    ILE  119  11.14 +/- 1.12   0.022% *  0.1212% (0.17   0.02   0.02) =   0.000%
          HE21  GLN   17 - HB    ILE  119  20.74 +/- 1.61   0.000% *  0.4206% (0.60   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 7.53, residual support = 254.3:
      O   HN    ILE  119 - HB    ILE  119   2.23 +/- 0.09 100.000% * 99.7485% (0.85  10.0   7.53 254.29) = 100.000%  kept
          HN    CYS   21 - HB    ILE  119  21.70 +/- 1.24   0.000% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    ILE  119  22.99 +/- 1.06   0.000% *  0.0850% (0.72   1.0   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE  119  24.99 +/- 1.74   0.000% *  0.0658% (0.56   1.0   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE  119  25.57 +/- 1.44   0.000% *  0.0157% (0.13   1.0   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3311 (3.97, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.566, support = 3.85, residual support = 54.9:
          HA    ALA  120 - QG2   ILE  119   3.26 +/- 0.12  98.115% * 94.9060% (0.57   3.85  54.93) =  99.994%  kept
          HA    LYS+ 121 - QG2   ILE  119   6.54 +/- 0.16   1.536% *  0.1724% (0.20   0.02   2.06) =   0.003%
          HA    LYS+  65 - QG2   ILE  119   9.28 +/- 1.48   0.272% *  0.8241% (0.95   0.02   0.02) =   0.002%
          HA2   GLY   16 - QG2   ILE  119  12.96 +/- 1.44   0.030% *  0.7813% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   ILE  119  15.92 +/- 0.99   0.008% *  0.6658% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - QG2   ILE  119  13.50 +/- 0.71   0.021% *  0.2172% (0.25   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   ILE  119  18.33 +/- 1.04   0.003% *  0.2972% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   ILE  119  16.69 +/- 1.36   0.007% *  0.1344% (0.15   0.02   0.02) =   0.000%
          QB    SER   85 - QG2   ILE  119  22.21 +/- 1.03   0.001% *  0.7813% (0.90   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   ILE  119  18.95 +/- 1.27   0.003% *  0.2689% (0.31   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   ILE  119  22.17 +/- 1.58   0.001% *  0.4932% (0.57   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   ILE  119  22.46 +/- 0.93   0.001% *  0.4583% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.599, support = 5.56, residual support = 53.5:
          HN    ALA  120 - QG2   ILE  119   3.09 +/- 0.18  65.849% * 78.8993% (0.61   5.63  54.93) =  97.406%  kept
          HN    LEU  123 - QG2   ILE  119   4.53 +/- 0.28   6.685% * 20.2073% (0.31   2.84   0.02) =   2.533%  kept
          HE21  GLN  116 - QG2   ILE  119   4.02 +/- 1.10  26.852% *  0.1151% (0.25   0.02  14.80) =   0.058%
          HN    ALA  124 - QG2   ILE  119   6.95 +/- 0.30   0.488% *  0.3697% (0.80   0.02   0.02) =   0.003%
          HN    ALA   57 - QG2   ILE  119   9.36 +/- 0.98   0.123% *  0.0914% (0.20   0.02   0.02) =   0.000%
          HE21  GLN   17 - QG2   ILE  119  15.99 +/- 1.48   0.004% *  0.3172% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3313 (7.91, 0.96, 17.56 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.87, residual support = 254.3:
          HN    ILE  119 - QG2   ILE  119   3.63 +/- 0.06  99.984% * 99.2738% (0.80   7.87 254.29) = 100.000%  kept
          HN    SER   37 - QG2   ILE  119  20.12 +/- 1.83   0.004% *  0.3145% (1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - QG2   ILE  119  20.04 +/- 1.05   0.004% *  0.3042% (0.97   0.02   0.02) =   0.000%
          HN    CYS   21 - QG2   ILE  119  17.60 +/- 1.35   0.009% *  0.1075% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 0.895, support = 2.07, residual support = 9.69:
          QD2   LEU  115 - HG12  ILE  119   2.76 +/- 0.82  77.379% * 95.9448% (0.90   2.08   9.71) =  99.822%  kept
          QD1   LEU   63 - HG12  ILE  119   4.43 +/- 1.53  22.577% *  0.5833% (0.57   0.02   0.02) =   0.177%
          QD1   LEU  104 - HG12  ILE  119  11.18 +/- 1.54   0.033% *  1.0303% (1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG12  ILE  119  15.05 +/- 1.13   0.004% *  0.5833% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG12  ILE  119  18.41 +/- 1.60   0.001% *  0.9511% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG12  ILE  119  17.92 +/- 1.59   0.002% *  0.7482% (0.73   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG12  ILE  119  15.12 +/- 1.17   0.004% *  0.1590% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 1 structures by 0.09 A, kept.
 
    Peak 3315 (0.60, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.895, support = 2.12, residual support = 9.68:
          QD2   LEU  115 - HG13  ILE  119   2.93 +/- 1.11  69.590% * 96.0283% (0.90   2.12   9.71) =  99.741%  kept
          QD1   LEU   63 - HG13  ILE  119   4.49 +/- 1.50  30.373% *  0.5713% (0.57   0.02   0.02) =   0.259%
          QD1   LEU  104 - HG13  ILE  119  11.64 +/- 1.63   0.025% *  1.0091% (1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG13  ILE  119  15.24 +/- 1.50   0.005% *  0.5713% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG13  ILE  119  18.65 +/- 1.78   0.002% *  0.9315% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG13  ILE  119  18.32 +/- 1.77   0.002% *  0.7328% (0.73   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG13  ILE  119  15.65 +/- 1.38   0.004% *  0.1557% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 2 structures by 0.16 A, kept.
 
    Peak 3316 (0.17, 1.12, 30.83 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - HG13  ILE  119  10.09 +/- 1.48 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.58 A violated in 20 structures by 6.52 A, eliminated.
    Peak unassigned.
 
    Peak 3317 (7.19, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.82, residual support = 20.8:
          QD    PHE   59 - HG13  ILE  119   2.69 +/- 0.67  99.996% * 97.9846% (0.95   2.82  20.77) = 100.000%  kept
          HE21  GLN   30 - HG13  ILE  119  19.21 +/- 1.26   0.002% *  0.7082% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   27 - HG13  ILE  119  21.03 +/- 1.65   0.001% *  0.6942% (0.95   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG13  ILE  119  20.09 +/- 2.51   0.001% *  0.6130% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3318 (7.91, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.95, residual support = 254.3:
          HN    ILE  119 - HG13  ILE  119   3.54 +/- 0.40  99.991% * 99.1786% (0.80   6.95 254.29) = 100.000%  kept
          HN    ILE   89 - HG13  ILE  119  21.43 +/- 1.36   0.003% *  0.3441% (0.97   0.02   0.02) =   0.000%
          HN    CYS   21 - HG13  ILE  119  19.59 +/- 1.42   0.005% *  0.1216% (0.34   0.02   0.02) =   0.000%
          HN    SER   37 - HG13  ILE  119  23.94 +/- 1.67   0.002% *  0.3557% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 3.66, residual support = 20.8:
          QD    PHE   59 - HG12  ILE  119   2.63 +/- 0.93  99.991% * 98.9437% (0.84   3.66  20.77) = 100.000%  kept
          HD1   TRP   27 - HG12  ILE  119  20.70 +/- 1.35   0.003% *  0.5411% (0.84   0.02   0.02) =   0.000%
          HE21  GLN   30 - HG12  ILE  119  19.16 +/- 1.35   0.004% *  0.3153% (0.49   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG12  ILE  119  19.69 +/- 2.38   0.003% *  0.1999% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 1 structures by 0.13 A, kept.
 
    Peak 3320 (7.91, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.65, residual support = 254.3:
          HN    ILE  119 - HG12  ILE  119   2.59 +/- 0.20  99.999% * 99.2532% (0.80   7.65 254.29) = 100.000%  kept
          HN    ILE   89 - HG12  ILE  119  20.70 +/- 1.17   0.000% *  0.3128% (0.97   0.02   0.02) =   0.000%
          HN    CYS   21 - HG12  ILE  119  19.56 +/- 1.32   0.001% *  0.1106% (0.34   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE  119  23.79 +/- 1.57   0.000% *  0.3234% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3321 (0.17, 1.02, 16.06 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - QD1   ILE  119   8.78 +/- 1.56 100.000% *100.0000% (0.66   0.02   0.02) = 100.000%  kept
    Distance limit 3.05 A violated in 20 structures by 5.73 A, eliminated.
    Peak unassigned.
 
    Peak 3322 (0.61, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.395, support = 4.51, residual support = 9.68:
          QD2   LEU  115 - QD1   ILE  119   2.20 +/- 0.69  83.302% * 88.6079% (0.40  1.00   4.53   9.71) =  99.668%  kept
        T QD1   LEU   63 - QD1   ILE  119   4.06 +/- 1.34  16.673% *  1.4688% (0.15 10.00   0.02   0.02) =   0.331%
        T QD1   LEU  104 - QD1   ILE  119  10.43 +/- 1.49   0.018% *  6.5390% (0.66 10.00   0.02   0.02) =   0.002%
        T QD1   LEU   73 - QD1   ILE  119  12.99 +/- 1.14   0.003% *  1.4688% (0.15 10.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD1   ILE  119  13.17 +/- 0.97   0.002% *  0.5389% (0.55  1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   ILE  119  15.49 +/- 1.41   0.001% *  0.9498% (0.96  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   ILE  119  15.63 +/- 1.29   0.001% *  0.4268% (0.43  1.00   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 1 structures by 0.16 A, kept.
 
    Peak 3323 (4.03, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 3.99, residual support = 14.8:
        T HA    GLN  116 - QD1   ILE  119   2.85 +/- 0.77  99.741% * 99.4587% (0.51 10.00   3.99  14.80) = 100.000%  kept
          HA1   GLY   16 - QD1   ILE  119  12.23 +/- 1.58   0.077% *  0.1514% (0.77  1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - QD1   ILE  119  12.47 +/- 1.60   0.083% *  0.0995% (0.51  1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QD1   ILE  119  11.70 +/- 1.48   0.092% *  0.0256% (0.13  1.00   0.02   0.02) =   0.000%
          HB2   SER   37 - QD1   ILE  119  19.16 +/- 1.90   0.004% *  0.1886% (0.96  1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD1   ILE  119  21.57 +/- 1.64   0.002% *  0.0471% (0.24  1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD1   ILE  119  22.62 +/- 1.34   0.001% *  0.0292% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 1 structures by 0.18 A, kept.
 
    Peak 3324 (6.72, 1.02, 16.06 ppm):
    2 chemical-shift based assignments, quality = 0.823, support = 0.02, residual support = 0.02:
        T HZ    PHE   72 - QD1   ILE  119   8.66 +/- 1.89  50.674% * 81.6578% (0.96 10.00   0.02   0.02) =  82.058%  kept
        T QD    PHE   72 - QD1   ILE  119   8.62 +/- 1.27  49.326% * 18.3422% (0.21 10.00   0.02   0.02) =  17.942%  kept
    Distance limit 3.28 A violated in 20 structures by 4.30 A, eliminated.
    Peak unassigned.
 
    Peak 3325 (7.00, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.509, support = 0.02, residual support = 0.02:
          QD    PHE   95 - QD1   ILE  119   5.95 +/- 0.99  75.864% * 23.3518% (0.47   0.02   0.02) =  71.176%  kept
          QE    PHE   72 - QD1   ILE  119   7.60 +/- 1.50  23.319% * 29.0981% (0.59   0.02   0.02) =  27.262%  kept
          HN    ALA   47 - QD1   ILE  119  13.61 +/- 1.00   0.818% * 47.5501% (0.96   0.02   0.02) =   1.562%  kept
    Distance limit 3.33 A violated in 18 structures by 2.32 A, eliminated.
    Peak unassigned.
 
    Peak 3326 (7.23, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.85, support = 1.38, residual support = 14.0:
          HN    HIS  122 - QD1   ILE  119   6.06 +/- 0.65  14.987% * 98.0152% (0.87   1.42  13.80) =  97.044%  kept
          HN    PHE   59 - QD1   ILE  119   4.13 +/- 1.15  84.991% *  0.5260% (0.33   0.02  20.77) =   2.953%  kept
          HH2   TRP   87 - QD1   ILE  119  17.66 +/- 2.43   0.021% *  1.4588% (0.91   0.02   0.02) =   0.002%
    Distance limit 3.47 A violated in 1 structures by 0.47 A, kept.
 
    Peak 3327 (7.92, 1.02, 16.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.95, residual support = 254.3:
          HN    ILE  119 - QD1   ILE  119   3.75 +/- 0.22  99.962% * 99.2794% (0.95   6.95 254.29) = 100.000%  kept
          HN    CYS   21 - QD1   ILE  119  16.34 +/- 1.36   0.019% *  0.2435% (0.81   0.02   0.02) =   0.000%
          HN    ILE   89 - QD1   ILE  119  18.13 +/- 1.12   0.009% *  0.2435% (0.81   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE  119  20.47 +/- 1.69   0.005% *  0.1886% (0.62   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE  119  20.53 +/- 1.53   0.005% *  0.0450% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3328 (0.88, 3.95, 55.35 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.25, residual support = 24.8:
        T QD1   LEU  123 - HA    ALA  120   2.63 +/- 0.67  99.418% * 99.1996% (0.45 10.00   5.25  24.82) =  99.999%  kept
          HB3   LEU   63 - HA    ALA  120   9.77 +/- 2.08   0.214% *  0.2169% (0.98  1.00   0.02   0.02) =   0.000%
          QG1   VAL   70 - HA    ALA  120  10.44 +/- 2.32   0.132% *  0.1520% (0.69  1.00   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    ALA  120  16.12 +/- 3.18   0.179% *  0.0992% (0.45  1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    ALA  120  11.98 +/- 2.47   0.045% *  0.0388% (0.18  1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    ALA  120  15.89 +/- 1.34   0.006% *  0.1772% (0.80  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    ALA  120  14.98 +/- 0.93   0.007% *  0.1164% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3329 (7.45, 3.95, 55.35 ppm):
    4 chemical-shift based assignments, quality = 0.481, support = 3.61, residual support = 19.3:
      O   HN    ALA  120 - HA    ALA  120   2.79 +/- 0.04  46.182% * 54.4078% (0.18  10.0   3.61  14.07) =  51.150%  kept
          HN    LEU  123 - HA    ALA  120   2.72 +/- 0.11  53.351% * 44.9770% (0.80   1.0   3.62  24.82) =  48.847%  kept
          HN    ALA  124 - HA    ALA  120   6.01 +/- 0.24   0.467% *  0.3045% (0.98   1.0   0.02   0.02) =   0.003%
          HE21  GLN   17 - HA    ALA  120  21.93 +/- 1.83   0.000% *  0.3107% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3331 (7.49, 3.94, 58.66 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 6.3, residual support = 315.2:
      O   HN    LYS+ 121 - HA    LYS+ 121   2.76 +/- 0.01  99.995% * 99.7700% (0.45  10.0   6.30 315.24) = 100.000%  kept
          HZ2   TRP   49 - HA    LYS+ 121  26.22 +/- 3.32   0.000% *  0.2105% (0.95   1.0   0.02   0.02) =   0.000%
          HN    LYS+ 121 - HA    LYS+  65  15.00 +/- 1.67   0.005% *  0.0063% (0.03   1.0   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HA    LYS+  65  24.98 +/- 2.97   0.000% *  0.0132% (0.06   1.0   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 0.875, support = 2.95, residual support = 9.12:
          HA    THR  118 - HB2   LYS+ 121   2.42 +/- 0.64  94.832% * 38.0184% (0.87   2.85   9.74) =  91.943%  kept
          HA    ILE  119 - HB2   LYS+ 121   4.70 +/- 0.24   5.162% * 61.2019% (0.97   4.12   2.06) =   8.057%  kept
          HA2   GLY  109 - HB2   LYS+ 121  14.87 +/- 1.68   0.004% *  0.1744% (0.57   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB2   LYS+ 121  25.67 +/- 2.88   0.000% *  0.2843% (0.92   0.02   0.02) =   0.000%
          HA    ALA   84 - HB2   LYS+ 121  23.54 +/- 1.72   0.000% *  0.2354% (0.76   0.02   0.02) =   0.000%
          HA    VAL   75 - HB2   LYS+ 121  21.23 +/- 1.49   0.000% *  0.0856% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3333 (3.69, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.03, residual support = 9.63:
        T HA    THR  118 - HB3   LYS+ 121   3.56 +/- 0.43  93.438% * 83.4872% (0.72 10.00   3.02   9.74) =  98.655%  kept
          HA    ILE  119 - HB3   LYS+ 121   5.70 +/- 0.32   6.535% * 16.2691% (0.81  1.00   3.50   2.06) =   1.345%  kept
          HA2   GLY  109 - HB3   LYS+ 121  15.77 +/- 1.61   0.020% *  0.0545% (0.47  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB3   LYS+ 121  26.40 +/- 3.11   0.003% *  0.0888% (0.77  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - HB3   LYS+ 121  23.75 +/- 1.98   0.001% *  0.0736% (0.64  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   LYS+ 121  21.44 +/- 1.76   0.002% *  0.0268% (0.23  1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3334 (7.51, 1.52, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.749, support = 6.45, residual support = 315.2:
      O   HN    LYS+ 121 - HB3   LYS+ 121   3.19 +/- 0.39  99.999% * 99.9582% (0.75  10.0   6.45 315.24) = 100.000%  kept
          HZ2   TRP   49 - HB3   LYS+ 121  24.14 +/- 3.32   0.001% *  0.0418% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3335 (7.23, 1.52, 32.89 ppm):
    3 chemical-shift based assignments, quality = 0.749, support = 6.44, residual support = 49.3:
          HN    HIS  122 - HB3   LYS+ 121   3.76 +/- 0.22  99.923% * 99.5561% (0.75   6.44  49.31) = 100.000%  kept
          HN    PHE   59 - HB3   LYS+ 121  13.23 +/- 1.43   0.067% *  0.1177% (0.28   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   LYS+ 121  19.26 +/- 3.66   0.010% *  0.3263% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3336 (7.21, 1.66, 32.89 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 7.28, residual support = 49.3:
          HN    HIS  122 - HB2   LYS+ 121   3.45 +/- 0.17  99.024% * 99.2247% (0.41   7.28  49.31) =  99.998%  kept
          QD    PHE   59 - HB2   LYS+ 121   7.71 +/- 0.96   0.969% *  0.2262% (0.34   0.02   0.02) =   0.002%
          HH2   TRP   87 - HB2   LYS+ 121  19.61 +/- 3.41   0.005% *  0.3228% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 121  21.30 +/- 1.89   0.002% *  0.2262% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3337 (7.50, 1.66, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 6.81, residual support = 315.2:
      O   HN    LYS+ 121 - HB2   LYS+ 121   2.17 +/- 0.23 100.000% * 99.9061% (0.92  10.0   6.81 315.24) = 100.000%  kept
          HZ2   TRP   49 - HB2   LYS+ 121  23.51 +/- 3.28   0.000% *  0.0939% (0.87   1.0   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 0.446, support = 1.12, residual support = 8.13:
          QG2   ILE  119 - HB2   HIS  122   5.06 +/- 0.93  23.971% * 68.0076% (0.53   1.50  13.80) =  57.722%  kept
          QD2   LEU   67 - HB2   HIS  122   6.24 +/- 4.01  42.807% * 18.1843% (0.41   0.51   0.31) =  27.562%  kept
          QD1   LEU   40 - HB2   HIS  122   6.26 +/- 3.20  32.469% * 12.7904% (0.20   0.75   0.53) =  14.704%  kept
          QD2   LEU   71 - HB2   HIS  122  11.96 +/- 3.03   0.707% *  0.4298% (0.25   0.02   0.02) =   0.011%
          QD1   ILE  103 - HB2   HIS  122  13.51 +/- 2.23   0.046% *  0.5879% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.49 A violated in 0 structures by 0.10 A, kept.
 
    Peak 3341 (0.61, 3.45, 31.73 ppm):
    7 chemical-shift based assignments, quality = 0.504, support = 0.0199, residual support = 0.0199:
          QD1   LEU  104 - HB2   HIS  122   7.93 +/- 2.94  29.187% * 20.0916% (0.69   0.02   0.02) =  58.185%  kept
          QD1   LEU   63 - HB2   HIS  122   6.15 +/- 1.65  57.068% *  4.5130% (0.15   0.02   0.02) =  25.555%  kept
          QD2   LEU  115 - HB2   HIS  122   8.88 +/- 1.10  13.175% * 12.0248% (0.41   0.02   0.02) =  15.719%  kept
          QD1   LEU   73 - HB2   HIS  122  13.90 +/- 2.56   0.377% *  4.5130% (0.15   0.02   0.02) =   0.169%
          QG1   VAL   83 - HB2   HIS  122  18.80 +/- 2.71   0.057% * 29.1845% (1.00   0.02   0.02) =   0.165%
          QG2   ILE   89 - HB2   HIS  122  18.14 +/- 2.01   0.086% * 16.5597% (0.57   0.02   0.02) =   0.142%
          QD2   LEU   80 - HB2   HIS  122  19.32 +/- 2.83   0.050% * 13.1134% (0.45   0.02   0.02) =   0.066%
    Distance limit 4.04 A violated in 13 structures by 1.33 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3342 (6.83, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.68, residual support = 72.5:
      O   HD2   HIS  122 - HB2   HIS  122   3.69 +/- 0.38  99.754% * 99.8219% (1.00  10.0   3.68  72.54) = 100.000%  kept
          HE22  GLN  116 - HB2   HIS  122  10.92 +/- 1.43   0.209% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HB2   HIS  122  15.47 +/- 1.88   0.030% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   HIS  122  19.32 +/- 2.12   0.007% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 5.94, residual support = 72.5:
      O   HN    HIS  122 - HB2   HIS  122   3.38 +/- 0.55  99.034% * 99.7165% (0.41  10.0   5.94  72.54) =  99.999%  kept
          QD    PHE   59 - HB2   HIS  122   7.77 +/- 1.38   0.955% *  0.0827% (0.34   1.0   0.02   0.02) =   0.001%
          HH2   TRP   87 - HB2   HIS  122  20.18 +/- 3.54   0.005% *  0.1181% (0.49   1.0   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   HIS  122  19.78 +/- 3.10   0.006% *  0.0827% (0.34   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 72.5:
      O   HD2   HIS  122 - HB3   HIS  122   3.13 +/- 0.47  99.835% * 99.8219% (1.00  10.0   3.71  72.54) = 100.000%  kept
          HE22  GLN  116 - HB3   HIS  122  10.12 +/- 1.44   0.149% *  0.0996% (1.00   1.0   0.02   0.02) =   0.000%
          QD    PHE   45 - HB3   HIS  122  15.25 +/- 1.89   0.012% *  0.0375% (0.38   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   HIS  122  19.58 +/- 2.23   0.003% *  0.0410% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3345 (7.23, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 6.02, residual support = 72.5:
      O   HN    HIS  122 - HB3   HIS  122   2.76 +/- 0.42  99.949% * 99.8567% (0.90  10.0   6.02  72.54) = 100.000%  kept
          HN    PHE   59 - HB3   HIS  122  10.97 +/- 1.26   0.050% *  0.0380% (0.34   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   HIS  122  20.29 +/- 3.49   0.001% *  0.1053% (0.95   1.0   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3346 (0.94, 2.76, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.422, support = 1.1, residual support = 8.51:
          QG2   ILE  119 - HB3   HIS  122   4.37 +/- 0.68  48.069% * 41.8680% (0.53  1.00   1.50  13.80) =  60.351%  kept
        T QD1   LEU   40 - HB3   HIS  122   6.74 +/- 3.02  20.775% * 44.1796% (0.20 10.00   0.42   0.53) =  27.524%  kept
          QD2   LEU   67 - HB3   HIS  122   6.70 +/- 3.78  30.324% * 13.3259% (0.41  1.00   0.61   0.31) =  12.118%  kept
          QD2   LEU   71 - HB3   HIS  122  12.48 +/- 2.92   0.775% *  0.2646% (0.25  1.00   0.02   0.02) =   0.006%
          QD1   ILE  103 - HB3   HIS  122  13.55 +/- 2.26   0.056% *  0.3619% (0.34  1.00   0.02   0.02) =   0.001%
    Distance limit 3.56 A violated in 0 structures by 0.17 A, kept.
 
    Peak 3347 (3.95, 1.85, 26.16 ppm):
    10 chemical-shift based assignments, quality = 0.681, support = 3.14, residual support = 24.8:
          HA    ALA  120 - HG    LEU  123   2.59 +/- 0.85  97.289% * 94.8819% (0.68  1.00   3.14  24.82) =  99.988%  kept
          HA    LYS+ 121 - HG    LEU  123   6.29 +/- 0.63   2.553% *  0.4191% (0.47  1.00   0.02   2.32) =   0.012%
          QB    SER  117 - HG    LEU  123   9.04 +/- 0.62   0.126% *  0.2081% (0.23  1.00   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG    LEU  123  13.68 +/- 2.34   0.025% *  0.5096% (0.57  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG    LEU  123  17.55 +/- 2.29   0.005% *  0.5472% (0.62  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HG    LEU  123  20.14 +/- 1.19   0.001% *  0.4663% (0.52  1.00   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG    LEU  123  24.02 +/- 2.15   0.000% *  1.5213% (0.17 10.00   0.02   0.02) =   0.000%
          QB    SER   48 - HG    LEU  123  26.26 +/- 2.05   0.000% *  0.5292% (0.60  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG    LEU  123  25.02 +/- 2.58   0.000% *  0.3701% (0.42  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HG    LEU  123  30.00 +/- 1.45   0.000% *  0.5472% (0.62  1.00   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 5.82, residual support = 202.9:
          HN    LEU  123 - HG    LEU  123   3.53 +/- 0.24  99.997% * 99.5550% (0.36   5.82 202.92) = 100.000%  kept
          HE21  GLN   17 - HG    LEU  123  22.08 +/- 2.25   0.002% *  0.1286% (0.14   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HG    LEU  123  27.58 +/- 3.43   0.001% *  0.3164% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3349 (3.95, 1.63, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.14, residual support = 24.8:
          HA    ALA  120 - HB3   LEU  123   3.48 +/- 0.49  97.197% * 96.1991% (0.99   3.14  24.82) =  99.988%  kept
          HA    LYS+ 121 - HB3   LEU  123   6.54 +/- 0.42   2.530% *  0.4249% (0.69   0.02   2.32) =   0.011%
          HA    LYS+  65 - HB3   LEU  123  13.76 +/- 2.74   0.078% *  0.5167% (0.84   0.02   0.02) =   0.000%
          QB    SER  117 - HB3   LEU  123  10.15 +/- 0.48   0.180% *  0.2110% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LEU  123  17.40 +/- 2.66   0.009% *  0.5548% (0.90   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LEU  123  21.15 +/- 1.04   0.002% *  0.4727% (0.76   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LEU  123  26.20 +/- 2.26   0.001% *  0.3752% (0.61   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LEU  123  27.18 +/- 1.29   0.001% *  0.5366% (0.87   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   LEU  123  25.26 +/- 1.54   0.001% *  0.1542% (0.25   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LEU  123  30.78 +/- 1.74   0.000% *  0.5548% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3350 (7.46, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.896, support = 5.56, residual support = 164.4:
      O   HN    LEU  123 - HB3   LEU  123   3.41 +/- 0.31  34.039% * 88.3635% (0.98  10.0   5.82 202.92) =  79.756%  kept
          HN    ALA  124 - HB3   LEU  123   3.10 +/- 0.29  65.961% * 11.5746% (0.57   1.0   4.54  12.82) =  20.244%  kept
          HE21  GLN   17 - HB3   LEU  123  22.16 +/- 2.44   0.001% *  0.0619% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3351 (3.95, 1.68, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.16, residual support = 24.8:
          HA    ALA  120 - HB2   LEU  123   2.18 +/- 0.41  99.089% * 88.7423% (0.99  1.00   3.16  24.82) =  99.961%  kept
        T HA    LYS+ 121 - HB2   LEU  123   5.13 +/- 0.40   0.874% *  3.8969% (0.69 10.00   0.02   2.32) =   0.039%
        T HA    LYS+  65 - HB2   LEU  123  13.96 +/- 2.41   0.005% *  4.7386% (0.84 10.00   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   LEU  123   8.87 +/- 0.43   0.031% *  0.1935% (0.34  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU  123  17.72 +/- 2.34   0.001% *  0.5088% (0.90  1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU  123  19.88 +/- 1.00   0.000% *  0.4336% (0.76  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU  123  25.35 +/- 2.43   0.000% *  0.3441% (0.61  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU  123  26.39 +/- 1.50   0.000% *  0.4921% (0.87  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   LEU  123  24.28 +/- 1.77   0.000% *  0.1415% (0.25  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU  123  29.74 +/- 1.67   0.000% *  0.5088% (0.90  1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 0.978, support = 6.21, residual support = 201.7:
      O   HN    LEU  123 - HB2   LEU  123   2.26 +/- 0.26  95.104% * 88.9099% (0.98  10.0   6.22 202.92) =  99.366%  kept
          HN    ALA  124 - HB2   LEU  123   4.16 +/- 0.24   4.896% * 11.0278% (0.57   1.0   4.29  12.82) =   0.634%  kept
          HE21  GLN   17 - HB2   LEU  123  22.24 +/- 2.19   0.000% *  0.0623% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3353 (3.97, 0.86, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.563, support = 5.23, residual support = 24.6:
        T HA    ALA  120 - QD1   LEU  123   2.63 +/- 0.67  82.620% * 94.3267% (0.57 10.00   5.25  24.82) =  99.059%  kept
          HA    LYS+ 121 - QD1   LEU  123   4.89 +/- 0.95  17.339% *  4.2692% (0.20  1.00   2.59   2.32) =   0.941%  kept
          HA    LYS+  65 - QD1   LEU  123  10.51 +/- 2.19   0.030% *  0.1576% (0.95  1.00   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU  123  13.69 +/- 1.97   0.006% *  0.1494% (0.90  1.00   0.02   0.02) =   0.000%
        T HA    SER   48 - QD1   LEU  123  22.20 +/- 2.16   0.000% *  0.5142% (0.31 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  123  16.01 +/- 1.04   0.002% *  0.0415% (0.25  1.00   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD1   LEU  123  19.48 +/- 1.97   0.001% *  0.1273% (0.76  1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - QD1   LEU  123  21.96 +/- 2.34   0.000% *  0.0943% (0.57  1.00   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  123  24.15 +/- 1.32   0.000% *  0.1494% (0.90  1.00   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  123  21.20 +/- 1.92   0.000% *  0.0568% (0.34  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  123  20.34 +/- 2.49   0.001% *  0.0257% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - QD1   LEU  123  24.76 +/- 1.36   0.000% *  0.0877% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3354 (7.46, 1.35, 61.60 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 1.83, residual support = 9.31:
      O   HN    ALA  124 - QB    ALA  124   2.25 +/- 0.30  99.096% * 99.6792% (0.57  10.0   1.83   9.31) =  99.998%  kept
          HN    LEU  123 - QB    ALA  124   5.59 +/- 0.38   0.904% *  0.1886% (0.98   1.0   0.02  12.82) =   0.002%
          HE21  GLN   17 - QB    ALA  124  19.01 +/- 2.76   0.000% *  0.1322% (0.69   1.0   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 1.83, residual support = 9.31:
      O   HN    ALA  124 - HA    ALA  124   2.70 +/- 0.22  98.489% * 99.7422% (0.98  10.0   1.83   9.31) =  99.999%  kept
          HN    LEU  123 - HA    ALA  124   5.68 +/- 0.33   1.458% *  0.0891% (0.80   1.0   0.02  12.82) =   0.001%
          HN    ALA  120 - HA    ALA  124  10.08 +/- 0.54   0.047% *  0.0195% (0.18   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA  124  22.61 +/- 3.08   0.000% *  0.1112% (1.00   1.0   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   34  17.00 +/- 2.33   0.003% *  0.0129% (0.12   1.0   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   34  20.63 +/- 4.36   0.001% *  0.0126% (0.11   1.0   0.02   0.02) =   0.000%
          HN    LEU  123 - HA    ALA   34  19.73 +/- 3.25   0.001% *  0.0103% (0.09   1.0   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   34  22.06 +/- 2.02   0.000% *  0.0023% (0.02   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3356 (7.45, 4.38, 55.67 ppm):
    4 chemical-shift based assignments, quality = 0.947, support = 4.59, residual support = 48.5:
      O   HN    ALA  124 - HA    LEU  123   2.29 +/- 0.01  77.863% * 55.0021% (0.98  10.0   4.20  12.82) =  81.234%  kept
      O   HN    LEU  123 - HA    LEU  123   2.83 +/- 0.05  22.018% * 44.9320% (0.80  10.0   6.26 202.92) =  18.766%  kept
          HN    ALA  120 - HA    LEU  123   6.79 +/- 0.25   0.118% *  0.0098% (0.18   1.0   0.02  24.82) =   0.000%
          HE21  GLN   17 - HA    LEU  123  20.38 +/- 2.51   0.000% *  0.0561% (1.00   1.0   0.02   0.02) =   0.000%
    Distance limit 3.14 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  15.67 +/- 3.52 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 3.25 A violated in 20 structures by 12.42 A, eliminated.
    Peak unassigned.
 
    Peak 3358 (8.63, 4.60, 54.68 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.97, residual support = 22.4:
      O   HN    ILE  103 - HA    LYS+ 102   2.27 +/- 0.10  99.999% * 99.7350% (0.69  10.0   5.97  22.44) = 100.000%  kept
          HN    GLN   90 - HA    LYS+ 102  22.13 +/- 2.72   0.000% *  0.1259% (0.87   1.0   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LYS+ 102  23.06 +/- 3.91   0.000% *  0.0997% (0.69   1.0   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    LYS+ 102  19.55 +/- 0.61   0.000% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    LYS+ 102  22.22 +/- 1.58   0.000% *  0.0196% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3359 (9.88, 4.95, 63.38 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 3.16, residual support = 14.6:
      O   HN    PHE   95 - HA    THR   94   2.30 +/- 0.11 100.000% *100.0000% (0.73  10.0   3.16  14.60) = 100.000%  kept
    Distance limit 2.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3360 (8.08, 1.41, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.91, residual support = 80.0:
      O   HN    LEU   80 - HB2   LEU   80   2.76 +/- 0.67  99.981% * 99.7811% (1.00  10.0   5.91  80.01) = 100.000%  kept
          HN    CYS   53 - HB2   LEU   80  17.03 +/- 2.45   0.005% *  0.0946% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   LEU   80  17.66 +/- 2.07   0.004% *  0.0965% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   LEU   80  15.71 +/- 2.37   0.010% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3361 (8.08, 1.34, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.3, residual support = 80.0:
      O   HN    LEU   80 - HB3   LEU   80   3.35 +/- 0.26  99.975% * 99.7811% (1.00  10.0   6.30  80.01) = 100.000%  kept
          HN    CYS   53 - HB3   LEU   80  17.31 +/- 2.05   0.006% *  0.0946% (0.95   1.0   0.02   0.02) =   0.000%
          HN    ALA   34 - HB3   LEU   80  17.81 +/- 2.23   0.006% *  0.0965% (0.97   1.0   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   LEU   80  15.74 +/- 2.46   0.013% *  0.0278% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3362 (4.81, 1.34, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.02, residual support = 80.0:
      O   HA    LEU   80 - HB3   LEU   80   2.76 +/- 0.17  95.248% * 99.6901% (0.98  10.0   5.02  80.01) =  99.996%  kept
          HB    THR   23 - HB3   LEU   80   6.35 +/- 1.91   2.534% *  0.0912% (0.90   1.0   0.02   5.63) =   0.002%
          HA    THR   23 - HB3   LEU   80   5.79 +/- 1.70   1.913% *  0.0912% (0.90   1.0   0.02   5.63) =   0.002%
          HA    ASP-  78 - HB3   LEU   80   7.67 +/- 0.72   0.305% *  0.0617% (0.61   1.0   0.02   4.04) =   0.000%
          HA    ASP- 105 - HB3   LEU   80  21.67 +/- 3.18   0.001% *  0.0658% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 0.496, support = 3.91, residual support = 80.0:
      O   QD2   LEU   80 - HB3   LEU   80   2.68 +/- 0.40  55.205% * 77.3053% (0.57  10.0  1.00   3.70  80.01) =  83.773%  kept
      O   QD1   LEU   80 - HB3   LEU   80   2.81 +/- 0.38  44.730% * 18.4793% (0.14  10.0  1.00   5.01  80.01) =  16.225%  kept
        T QD1   LEU   73 - HB3   LEU   80   9.33 +/- 1.98   0.046% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.001%
        T QD1   LEU   63 - HB3   LEU   80  15.75 +/- 2.06   0.002% *  1.2605% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   80  18.81 +/- 3.49   0.003% *  0.4658% (0.34   1.0 10.00   0.02   0.02) =   0.000%
        T QD2   LEU   63 - HB3   LEU   80  17.33 +/- 1.69   0.001% *  1.0934% (0.80   1.0 10.00   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   80  12.22 +/- 2.31   0.008% *  0.0340% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   80  13.01 +/- 3.58   0.006% *  0.0185% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   80  19.41 +/- 1.44   0.000% *  0.0828% (0.61   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3365 (4.81, 1.44, 26.98 ppm):
    20 chemical-shift based assignments, quality = 0.633, support = 4.43, residual support = 78.7:
      O   HA    LEU   80 - HG    LEU   80   3.19 +/- 0.51  60.735% * 94.7045% (0.63  10.0   4.49  80.01) =  98.171%  kept
          HA    THR   23 - HG    LEU   80   4.53 +/- 2.60  23.481% *  4.5081% (0.58   1.0   1.04   5.63) =   1.807%  kept
          HB    THR   23 - HG    LEU   80   5.14 +/- 2.59  14.893% *  0.0866% (0.58   1.0   0.02   5.63) =   0.022%
          HA    ASP-  78 - HG    LEU   80   8.66 +/- 1.17   0.486% *  0.0586% (0.39   1.0   0.02   4.04) =   0.000%
          HA    ASP- 105 - HG    LEU   40  10.00 +/- 0.85   0.130% *  0.0470% (0.31   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HG    LEU   73   9.62 +/- 1.31   0.144% *  0.0344% (0.23   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   73  11.53 +/- 1.23   0.046% *  0.0344% (0.23   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HG12  ILE   19  12.39 +/- 0.36   0.026% *  0.0295% (0.20   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   73  13.75 +/- 2.08   0.018% *  0.0376% (0.25   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG12  ILE   19  13.79 +/- 0.70   0.015% *  0.0295% (0.20   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   73  15.44 +/- 1.38   0.009% *  0.0248% (0.17   1.0   0.02   0.02) =   0.000%
          HA    THR   23 - HG    LEU   40  18.47 +/- 1.48   0.003% *  0.0652% (0.44   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG12  ILE   19  17.14 +/- 1.04   0.004% *  0.0322% (0.22   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   80  22.14 +/- 3.57   0.002% *  0.0625% (0.42   1.0   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   40  20.38 +/- 1.34   0.001% *  0.0652% (0.44   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   73  17.32 +/- 0.84   0.004% *  0.0233% (0.16   1.0   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   40  21.77 +/- 2.09   0.001% *  0.0713% (0.48   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG12  ILE   19  20.16 +/- 1.27   0.002% *  0.0199% (0.13   1.0   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG12  ILE   19  21.12 +/- 1.67   0.001% *  0.0213% (0.14   1.0   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   40  24.57 +/- 1.25   0.000% *  0.0441% (0.30   1.0   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 0.193, support = 5.45, residual support = 160.4:
          HN    LEU   73 - HG    LEU   73   3.00 +/- 0.70  63.063% * 44.3293% (0.20   5.71 172.74) =  87.537%  kept
          HN    ILE   19 - HG12  ILE   19   3.78 +/- 0.65  19.836% *  8.4334% (0.03   6.27 173.80) =   5.238%  kept
          HN    VAL   42 - HG    LEU   73   4.11 +/- 1.17  13.133% * 10.3256% (0.20   1.33   1.68) =   4.246%  kept
          HN    VAL   42 - HG    LEU   40   5.32 +/- 1.09   2.768% * 34.3330% (0.37   2.33   1.25) =   2.975%  kept
          HN    LEU   73 - HG12  ILE   19   7.54 +/- 1.24   0.323% *  0.1332% (0.17   0.02   4.00) =   0.001%
          HN    ILE   19 - HG    LEU   73   6.03 +/- 0.59   0.694% *  0.0314% (0.04   0.02   4.00) =   0.001%
          HN    LEU   73 - HG    LEU   40   9.07 +/- 0.96   0.063% *  0.2945% (0.37   0.02   0.02) =   0.001%
          HN    VAL   42 - HG12  ILE   19   9.65 +/- 1.75   0.065% *  0.1332% (0.17   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   40  11.07 +/- 0.83   0.018% *  0.3219% (0.41   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   80  12.27 +/- 2.51   0.012% *  0.3914% (0.49   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  14.76 +/- 2.87   0.004% *  0.3914% (0.49   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  11.97 +/- 1.17   0.011% *  0.0595% (0.08   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  13.77 +/- 1.94   0.005% *  0.0790% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  15.30 +/- 1.24   0.002% *  0.1698% (0.21   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  21.21 +/- 3.28   0.000% *  0.4278% (0.54   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  20.97 +/- 1.48   0.000% *  0.1456% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 0.761, support = 5.77, residual support = 170.3:
      O T HA    LYS+  99 - HB3   LYS+  99   2.76 +/- 0.30  92.235% * 92.8850% (0.76  10.0 10.00   5.80 171.04) =  99.545%  kept
          HA    LEU   40 - HB3   LYS+  99   4.48 +/- 0.88   7.688% *  5.0971% (0.65   1.0  1.00   1.30  11.63) =   0.455%
          HA    ASN   35 - HB3   LYS+  99   9.76 +/- 0.70   0.060% *  0.1090% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LYS+  99  14.28 +/- 3.47   0.012% *  0.1191% (0.98   1.0  1.00   0.02   0.02) =   0.000%
        T HA    ILE   56 - HB3   LYS+  99  21.14 +/- 2.21   0.001% *  1.1220% (0.92   1.0 10.00   0.02   0.02) =   0.000%
        T HA    ASP- 113 - HB3   LYS+  99  21.90 +/- 0.86   0.000% *  0.4997% (0.41   1.0 10.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LYS+  99  17.84 +/- 2.32   0.002% *  0.0545% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LYS+  99  20.96 +/- 1.94   0.001% *  0.0592% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LYS+  99  22.62 +/- 2.94   0.000% *  0.0545% (0.45   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3373 (8.35, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 3.71, residual support = 171.0:
      O   HN    LYS+  99 - HB3   LYS+  99   3.06 +/- 0.30  98.881% * 99.4797% (0.31  10.0   3.71 171.04) =  99.999%  kept
          HE1   HIS  122 - HB3   LYS+  99   9.68 +/- 3.92   1.064% *  0.0804% (0.25   1.0   0.02   0.02) =   0.001%
          HN    ASN   35 - HB3   LYS+  99  11.31 +/- 0.75   0.053% *  0.2692% (0.84   1.0   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   LYS+  99  21.10 +/- 2.68   0.002% *  0.0497% (0.15   1.0   0.02   0.02) =   0.000%
          HN    ALA   12 - HB3   LYS+  99  25.24 +/- 3.23   0.001% *  0.1210% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3375 (0.62, 1.72, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 1.58, residual support = 17.3:
        T QD1   LEU  104 - HB3   LYS+  99   2.92 +/- 1.50  99.351% * 97.1203% (0.41 10.00   1.58  17.35) =  99.996%  kept
        T QG2   ILE   89 - HB3   LYS+  99  17.97 +/- 1.49   0.115% *  2.4949% (0.84 10.00   0.02   0.02) =   0.003%
          QG1   VAL   83 - HB3   LYS+  99  16.32 +/- 2.02   0.241% *  0.2591% (0.87  1.00   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB3   LYS+  99  15.50 +/- 0.90   0.180% *  0.0591% (0.20  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LYS+  99  17.97 +/- 2.69   0.112% *  0.0665% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 1 structures by 0.30 A, kept.
 
    Peak 3376 (1.00, 1.72, 37.34 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 1.88, residual support = 11.6:
        T QD2   LEU   40 - HB3   LYS+  99   3.26 +/- 1.08  96.996% * 99.5814% (0.76 10.00   1.88  11.63) =  99.997%  kept
          QG2   ILE  103 - HB3   LYS+  99   7.18 +/- 0.53   2.358% *  0.0842% (0.61  1.00   0.02   0.02) =   0.002%
          QD1   LEU   67 - HB3   LYS+  99  10.27 +/- 3.28   0.588% *  0.1008% (0.73  1.00   0.02   0.02) =   0.001%
          QD1   ILE  119 - HB3   LYS+  99  14.17 +/- 1.51   0.044% *  0.0346% (0.25  1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HB3   LYS+  99  18.03 +/- 1.12   0.010% *  0.1314% (0.95  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LYS+  99  20.28 +/- 1.05   0.004% *  0.0676% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 1 structures by 0.25 A, kept.
 
    Peak 3377 (1.32, 1.72, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.47, residual support = 171.0:
      O   HG2   LYS+  99 - HB3   LYS+  99   2.62 +/- 0.19  99.891% * 99.4593% (0.97  10.0   5.47 171.04) = 100.000%  kept
          HG2   LYS+  38 - HB3   LYS+  99   9.47 +/- 1.00   0.076% *  0.1028% (1.00   1.0   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+  99  13.41 +/- 0.75   0.006% *  0.0708% (0.69   1.0   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  99  12.92 +/- 3.65   0.019% *  0.0204% (0.20   1.0   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  99  14.34 +/- 0.95   0.004% *  0.0424% (0.41   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  99  16.20 +/- 0.98   0.002% *  0.0318% (0.31   1.0   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  99  20.34 +/- 1.99   0.001% *  0.0894% (0.87   1.0   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  99  18.81 +/- 1.42   0.001% *  0.0502% (0.49   1.0   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  99  22.82 +/- 2.46   0.000% *  0.0788% (0.76   1.0   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  99  22.60 +/- 2.65   0.000% *  0.0542% (0.53   1.0   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3378 (1.77, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 7.0, residual support = 171.0:
      O T HB2   LYS+  99 - HA    LYS+  99   2.72 +/- 0.26  99.972% * 99.7492% (0.99  10.0 10.00   7.00 171.04) = 100.000%  kept
          HB    VAL   43 - HA    LYS+  99  10.95 +/- 0.85   0.027% *  0.0952% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  99  19.44 +/- 1.23   0.001% *  0.0570% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    LYS+  99  25.35 +/- 1.98   0.000% *  0.0986% (0.98   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3379 (1.72, 1.24, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.565, support = 5.16, residual support = 183.9:
      O T QD    LYS+  99 - HG3   LYS+  99   2.39 +/- 0.15  49.237% * 20.0954% (0.34  10.0 10.00   5.27 171.04) =  38.239%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.95 +/- 0.22  15.305% * 58.3907% (0.99  10.0  1.00   5.01 171.04) =  34.538%  kept
      O T HB    ILE   89 - HG12  ILE   89   2.54 +/- 0.19  35.296% * 19.9563% (0.34  10.0 10.00   5.18 218.16) =  27.222%  kept
        T QD    LYS+ 106 - HG12  ILE   89  12.69 +/- 3.30   0.040% *  0.0737% (0.13   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG3   LYS+  38   7.72 +/- 1.25   0.087% *  0.0210% (0.04   1.0 10.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  99  13.40 +/- 0.64   0.002% *  0.1818% (0.31   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  18.23 +/- 1.96   0.000% *  0.5573% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+  38   9.01 +/- 1.18   0.026% *  0.0061% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  14.06 +/- 2.48   0.002% *  0.0226% (0.38   1.0  1.00   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  23.87 +/- 2.38   0.000% *  0.4921% (0.84   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  99  15.30 +/- 1.58   0.001% *  0.0103% (0.18   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG12  ILE   89  21.23 +/- 1.90   0.000% *  0.0815% (0.14   1.0 10.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG12  ILE   89  14.10 +/- 2.66   0.002% *  0.0042% (0.07   1.0  1.00   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  38  18.71 +/- 1.39   0.000% *  0.0190% (0.03   1.0 10.00   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  38  23.36 +/- 1.94   0.000% *  0.0582% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  21.49 +/- 1.95   0.000% *  0.0237% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  38  17.31 +/- 1.21   0.000% *  0.0011% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - HG3   LYS+  38  27.41 +/- 2.45   0.000% *  0.0051% (0.09   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3380 (1.77, 1.24, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 6.44, residual support = 171.0:
      O T HB2   LYS+  99 - HG3   LYS+  99   2.55 +/- 0.21  99.864% * 97.9462% (0.99  10.0 10.00   6.44 171.04) = 100.000%  kept
        T HB    VAL   43 - HG12  ILE   89  10.83 +/- 1.80   0.029% *  0.3791% (0.38   1.0 10.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG3   LYS+  38   9.30 +/- 1.19   0.066% *  0.1022% (0.10   1.0 10.00   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  13.26 +/- 1.09   0.006% *  0.9348% (0.95   1.0 10.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89  10.58 +/- 1.53   0.032% *  0.0393% (0.40   1.0  1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  21.36 +/- 2.45   0.000% *  0.3972% (0.40   1.0 10.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  99  20.30 +/- 1.79   0.001% *  0.0559% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HG3   LYS+  38  17.09 +/- 1.27   0.001% *  0.0098% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  27.47 +/- 1.77   0.000% *  0.0969% (0.98   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG12  ILE   89  23.71 +/- 2.40   0.000% *  0.0227% (0.23   1.0  1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  38  22.29 +/- 1.87   0.000% *  0.0058% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  38  28.99 +/- 2.27   0.000% *  0.0101% (0.10   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3381 (4.01, 2.50, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.54, residual support = 123.6:
    * O   HA    GLN  116 - HG3   GLN  116   3.51 +/- 0.26  99.987% * 99.5202% (1.00  10.0   5.54 123.65) = 100.000%  kept
          HA    VAL   70 - HG3   GLN  116  20.60 +/- 1.30   0.003% *  0.0995% (1.00   1.0   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   GLN  116  19.80 +/- 1.68   0.004% *  0.0684% (0.69   1.0   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLN  116  20.14 +/- 1.70   0.004% *  0.0197% (0.20   1.0   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   GLN  116  22.91 +/- 2.21   0.002% *  0.0248% (0.25   1.0   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   GLN  116  28.56 +/- 1.66   0.000% *  0.0484% (0.49   1.0   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG3   GLN  116  31.49 +/- 1.53   0.000% *  0.0863% (0.87   1.0   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLN  116  31.63 +/- 1.42   0.000% *  0.0604% (0.61   1.0   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG3   GLN  116  32.60 +/- 1.33   0.000% *  0.0723% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3382 (2.37, 2.50, 34.75 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 6.07, residual support = 123.6:
      O   HB2   GLN  116 - HG3   GLN  116   2.35 +/- 0.08  99.700% * 99.6757% (0.98  10.0   6.07 123.65) = 100.000%  kept
          HB2   PRO   58 - HG3   GLN  116   8.41 +/- 2.32   0.299% *  0.0456% (0.45   1.0   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   GLN  116  16.21 +/- 1.08   0.001% *  0.0912% (0.90   1.0   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   GLN  116  26.14 +/- 1.31   0.000% *  0.1017% (1.00   1.0   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG3   GLN  116  26.17 +/- 2.31   0.000% *  0.0576% (0.57   1.0   0.02   0.02) =   0.000%
          QG    GLN   32 - HG3   GLN  116  30.08 +/- 1.25   0.000% *  0.0283% (0.28   1.0   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3383 (0.60, 2.50, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.13, residual support = 102.1:
          QD2   LEU  115 - HG3   GLN  116   3.72 +/- 0.33  99.149% * 98.8243% (0.97   7.13 102.11) =  99.999%  kept
          QD1   LEU   63 - HG3   GLN  116   9.61 +/- 0.76   0.385% *  0.1972% (0.69   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG3   GLN  116   9.90 +/- 1.28   0.436% *  0.0443% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG3   GLN  116  15.83 +/- 1.24   0.020% *  0.2814% (0.98   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG3   GLN  116  20.09 +/- 1.15   0.005% *  0.1972% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   GLN  116  22.64 +/- 1.66   0.002% *  0.2814% (0.98   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   GLN  116  22.26 +/- 1.35   0.003% *  0.1741% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3384 (2.55, 2.50, 34.75 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 6.49, residual support = 123.6:
      O   HG2   GLN  116 - HG3   GLN  116   1.75 +/- 0.00  99.999% * 99.7025% (0.98  10.0  1.00   6.49 123.65) = 100.000%  kept
          HB3   PHE   95 - HG3   GLN  116  12.93 +/- 1.17   0.001% *  0.0962% (0.95   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   GLU-  25 - HG3   GLN  116  34.24 +/- 1.51   0.000% *  0.2013% (0.20   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3385 (2.50, 2.50, 34.75 ppm):
    1 diagonal assignment:
    *     HG3   GLN  116 - HG3   GLN  116  (1.00)  kept
 
    Peak 3386 (7.40, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 4.07, residual support = 123.6:
      O   HE21  GLN  116 - HG3   GLN  116   3.36 +/- 0.35  98.071% * 99.6819% (0.69  10.0   4.07 123.65) =  99.999%  kept
          HN    ALA  120 - HG3   GLN  116   7.03 +/- 0.73   1.797% *  0.0448% (0.31   1.0   0.02   0.15) =   0.001%
          HN    ALA   57 - HG3   GLN  116  11.18 +/- 1.41   0.132% *  0.1109% (0.76   1.0   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG3   GLN  116  26.94 +/- 2.36   0.001% *  0.1400% (0.97   1.0   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG3   GLN  116  31.52 +/- 1.56   0.000% *  0.0224% (0.15   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3387 (8.19, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 7.7, residual support = 123.6:
          HN    GLN  116 - HG3   GLN  116   3.62 +/- 0.30  95.226% * 99.0047% (0.69   7.70 123.65) =  99.990%  kept
          HN    THR  118 - HG3   GLN  116   7.05 +/- 0.60   1.890% *  0.3455% (0.92   0.02   0.02) =   0.007%
          HN    GLU- 114 - HG3   GLN  116   6.77 +/- 0.71   2.719% *  0.0933% (0.25   0.02   0.15) =   0.003%
          HN    PHE   60 - HG3   GLN  116  10.94 +/- 1.01   0.163% *  0.3743% (1.00   0.02   0.02) =   0.001%
          HN    GLU-  15 - HG3   GLN  116  25.19 +/- 1.98   0.001% *  0.1822% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3388 (1.33, 1.24, 26.01 ppm):
    39 chemical-shift based assignments, quality = 0.916, support = 6.58, residual support = 175.5:
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  49.450% * 88.2996% (1.00  10.0 10.00   6.60 171.04) =  90.832%  kept
      O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  49.450% *  8.9120% (0.10  10.0 10.00   6.43 219.19) =   9.168%  kept
        T HG2   LYS+  38 - HG3   LYS+  99   7.77 +/- 1.12   0.011% *  0.8540% (0.97   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG12  ILE   89   4.80 +/- 1.67   0.653% *  0.0063% (0.07   1.0  1.00   0.02  10.75) =   0.000%
          QG2   THR   77 - HG12  ILE   89   5.51 +/- 1.99   0.259% *  0.0111% (0.13   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG12  ILE   89   5.01 +/- 0.49   0.106% *  0.0247% (0.28   1.0  1.00   0.02   9.61) =   0.000%
        T HG2   LYS+  99 - HG3   LYS+  38   7.00 +/- 1.13   0.026% *  0.0921% (0.10   1.0 10.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG12  ILE   89   8.71 +/- 2.80   0.027% *  0.0261% (0.29   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   8.10 +/- 1.18   0.010% *  0.0221% (0.25   1.0  1.00   0.02  17.66) =   0.000%
        T HG2   LYS+ 111 - HG12  ILE   89  17.67 +/- 3.44   0.000% *  0.3313% (0.37   1.0 10.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  13.06 +/- 3.93   0.001% *  0.0302% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG12  ILE   89  11.78 +/- 1.88   0.002% *  0.0175% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  13.30 +/- 0.91   0.000% *  0.0768% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  15.24 +/- 1.60   0.000% *  0.0537% (0.61   1.0  1.00   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  24.79 +/- 2.58   0.000% *  0.8169% (0.92   1.0 10.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG12  ILE   89  11.37 +/- 1.48   0.001% *  0.0055% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.44 +/- 1.00   0.000% *  0.0080% (0.09   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  17.38 +/- 1.31   0.000% *  0.0431% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG12  ILE   89  17.23 +/- 2.47   0.000% *  0.0311% (0.35   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG12  ILE   89  15.61 +/- 2.91   0.000% *  0.0089% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  12.12 +/- 1.74   0.001% *  0.0023% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  21.66 +/- 2.18   0.000% *  0.0608% (0.69   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG12  ILE   89  18.99 +/- 2.04   0.000% *  0.0218% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  19.91 +/- 1.54   0.000% *  0.0273% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  23.47 +/- 2.77   0.000% *  0.0643% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  17.11 +/- 4.84   0.000% *  0.0031% (0.04   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG12  ILE   89  23.19 +/- 2.10   0.000% *  0.0358% (0.40   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  99  21.81 +/- 1.43   0.000% *  0.0155% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  99  21.46 +/- 1.11   0.000% *  0.0137% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG12  ILE   89  26.37 +/- 2.25   0.000% *  0.0346% (0.39   1.0  1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  20.47 +/- 1.75   0.000% *  0.0056% (0.06   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG12  ILE   89  25.60 +/- 2.00   0.000% *  0.0122% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  21.59 +/- 1.00   0.000% *  0.0045% (0.05   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  24.50 +/- 2.28   0.000% *  0.0063% (0.07   1.0  1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  25.36 +/- 2.86   0.000% *  0.0067% (0.08   1.0  1.00   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  22.91 +/- 1.58   0.000% *  0.0029% (0.03   1.0  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  31.05 +/- 2.74   0.000% *  0.0085% (0.10   1.0  1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  38  24.07 +/- 1.64   0.000% *  0.0016% (0.02   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  38  26.55 +/- 1.26   0.000% *  0.0014% (0.02   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   2700
      with diagonal assignment               :    465
      without assignment possibility         :      4
      with one assignment possibility        :    113
      with multiple assignment possibilities :   2118
      with given assignment possibilities    :      0
      with unique volume contribution        :   1735
      with multiple volume contributions     :    496
      eliminated by violation filter         :    106
 
    Peaks:
      selected                               :   2700
      without assignment                     :    130
      with assignment                        :   2570
      with unique assignment                 :   2015
      with multiple assignment               :    555
      with reference assignment              :   1605
      with identical reference assignment    :   1272
      with compatible reference assignment   :    325
      with incompatible reference assignment :      8
      with additional reference assignment   :      0
      with additional assignment             :    965
 
    Atoms with eliminated volume contribution > 2.5:
    HA    HIS   22       3.0
    QB    LYS+  33       2.9
    QD2   LEU   40       4.0
    QD    PHE   45       4.0
    QG2   ILE   56       3.0
    QD    PHE   59       2.7
    QD    PHE   60       3.4
    HN    LYS+  65       6.0
    HZ    PHE   72       2.9
    HA    LEU   73       3.0
    QG    LYS+  81       2.7
    QD1   ILE   89       3.9
    HB3   MET   96       3.0
    HA    THR  118       5.0
    QD1   ILE  119       3.1
 
    Peak 2 (6.75, 6.75, 114.38 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   27 - HZ2   TRP   27  (1.00)  kept
 
    Peak 3 (7.49, 7.49, 115.54 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   49 - HZ2   TRP   49  (1.00)  kept
 
    Peak 4 (7.61, 7.61, 114.70 ppm):
    2 diagonal assignments:
    *     HZ2   TRP   87 - HZ2   TRP   87  (1.00)  kept
          HN    ILE   56 - HN    ILE   56  (0.01)  kept
 
    Peak 5 (7.18, 7.18, 125.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   49 - HH2   TRP   49  (1.00)  kept
 
    Peak 6 (7.23, 7.23, 124.80 ppm):
    1 diagonal assignment:
    *     HH2   TRP   87 - HH2   TRP   87  (1.00)  kept
 
    Peak 7 (7.71, 7.71, 120.66 ppm):
    1 diagonal assignment:
    *     HE3   TRP   87 - HE3   TRP   87  (1.00)  kept
 
    Peak 8 (6.38, 6.38, 129.17 ppm):
    1 diagonal assignment:
    *     HZ    PHE   45 - HZ    PHE   45  (1.00)  kept
 
    Peak 9 (6.69, 6.69, 132.41 ppm):
    1 diagonal assignment:
    *     QD    PHE   72 - QD    PHE   72  (1.00)  kept
 
    Peak 10 (6.68, 6.68, 130.18 ppm):
    1 diagonal assignment:
    *     QE    PHE   45 - QE    PHE   45  (1.00)  kept
 
    Peak 11 (6.71, 6.71, 127.90 ppm):
    1 diagonal assignment:
    *     HZ    PHE   72 - HZ    PHE   72  (1.00)  kept
 
    Peak 12 (6.88, 6.88, 128.47 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 13 (7.26, 7.26, 128.86 ppm):
    1 diagonal assignment:
    *     QE    PHE   59 - QE    PHE   59  (1.00)  kept
 
    Peak 14 (7.75, 7.75, 128.42 ppm):
    1 diagonal assignment:
    *     HD1   TRP   87 - HD1   TRP   87  (1.00)  kept
 
    Peak 15 (7.19, 7.19, 127.61 ppm):
    1 diagonal assignment:
    *     HD1   TRP   27 - HD1   TRP   27  (1.00)  kept
 
    Peak 16 (7.35, 7.35, 128.88 ppm):
    1 diagonal assignment:
    *     HD1   TRP   49 - HD1   TRP   49  (1.00)  kept
 
    Peak 17 (7.63, 7.63, 131.92 ppm):
    1 diagonal assignment:
    *     QE    PHE   60 - QE    PHE   60  (1.00)  kept
 
    Peak 18 (7.02, 7.02, 132.19 ppm):
    1 diagonal assignment:
    *     QD    PHE   95 - QD    PHE   95  (1.00)  kept
 
    Peak 19 (6.86, 6.86, 131.77 ppm):
    1 diagonal assignment:
    *     QD    PHE   45 - QD    PHE   45  (1.00)  kept
 
    Peak 20 (6.85, 6.85, 130.68 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 21 (6.99, 6.99, 130.46 ppm):
    1 diagonal assignment:
    *     QE    PHE   72 - QE    PHE   72  (1.00)  kept
 
    Peak 22 (8.33, 8.33, 138.33 ppm):
    1 diagonal assignment:
    *     HE1   HIS  122 - HE1   HIS  122  (1.00)  kept
 
    Peak 23 (8.58, 8.58, 136.90 ppm):
    1 diagonal assignment:
    *     HE1   HIS   22 - HE1   HIS   22  (1.00)  kept
 
    Peak 24 (6.83, 6.83, 120.22 ppm):
    1 diagonal assignment:
    *     HD2   HIS  122 - HD2   HIS  122  (1.00)  kept
 
    Peak 25 (7.11, 7.11, 121.95 ppm):
    1 diagonal assignment:
    *     HE3   TRP   49 - HE3   TRP   49  (1.00)  kept
 
    Peak 26 (7.36, 7.36, 120.68 ppm):
    1 diagonal assignment:
    *     HD2   HIS   22 - HD2   HIS   22  (1.00)  kept
 
    Peak 27 (7.12, 7.12, 119.95 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 28 (7.17, 7.17, 120.01 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 29 (7.31, 7.32, 120.14 ppm):
    1 diagonal assignment:
    *     HE3   TRP   27 - HE3   TRP   27  (0.76)  kept
 
    Peak 30 (7.13, 7.13, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   97 - QD    PHE   97  (1.00)  kept
 
    Peak 31 (7.32, 7.32, 132.31 ppm):
    1 diagonal assignment:
    *     QD    PHE   55 - QD    PHE   55  (1.00)  kept
 
    Peak 32 (7.29, 7.29, 132.36 ppm):
    1 diagonal assignment:
    *     QD    PHE   60 - QD    PHE   60  (1.00)  kept
 
    Peak 33 (7.33, 7.33, 130.29 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 34 (7.39, 7.39, 131.00 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 35 (7.38, 7.41, 131.81 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 36 (6.31, 6.31, 122.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   27 - HH2   TRP   27  (1.00)  kept
 
    Peak 37 (3.92, 7.29, 132.36 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.94, residual support = 72.0:
        T HA    PHE   60 - QD    PHE   60   2.55 +/- 0.37  99.837% * 98.3426% (0.87 10.00   3.94  72.03) = 100.000%  kept
        T QB    SER  117 - QD    PHE   60  12.56 +/- 1.06   0.012% *  1.0168% (0.90 10.00   0.02   0.02) =   0.000%
        T QB    SER   48 - QD    PHE   60  12.17 +/- 1.79   0.017% *  0.4255% (0.38 10.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD    PHE   60   9.88 +/- 1.46   0.076% *  0.0552% (0.49  1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    PHE   60  11.87 +/- 1.86   0.047% *  0.0733% (0.65  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   60  14.37 +/- 0.82   0.004% *  0.0642% (0.57  1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   60  13.06 +/- 1.01   0.007% *  0.0224% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 38 (7.19, 7.19, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   59 - QD    PHE   59  (1.00)  kept
 
    Peak 40 (6.35, 6.35, 121.95 ppm):
    1 diagonal assignment:
    *     HZ3   TRP   27 - HZ3   TRP   27  (1.00)  kept
 
    Peak 43 (7.13, 7.13, 121.44 ppm):
    1 diagonal assignment:
    *     HZ3   TRP   87 - HZ3   TRP   87  (1.00)  kept
 
    Peak 44 (7.70, 7.13, 121.44 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 1.0, residual support = 74.0:
      O   HE3   TRP   87 - HZ3   TRP   87   2.49 +/- 0.00  99.733% * 99.2427% (0.69  10.0   1.00  74.00) = 100.000%  kept
          HN    TRP   87 - HZ3   TRP   87   6.84 +/- 0.36   0.247% *  0.1753% (0.61   1.0   0.02  74.00) =   0.000%
          HN    ALA   91 - HZ3   TRP   87  12.89 +/- 1.68   0.018% *  0.0892% (0.31   1.0   0.02   0.02) =   0.000%
          HN    ALA   61 - HZ3   TRP   87  20.58 +/- 2.42   0.001% *  0.1084% (0.38   1.0   0.02   0.02) =   0.000%
          HD21  ASN   69 - HZ3   TRP   87  21.81 +/- 2.96   0.000% *  0.1636% (0.57   1.0   0.02   0.02) =   0.000%
          HN    GLN   17 - HZ3   TRP   87  22.97 +/- 2.18   0.000% *  0.2208% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 4.25 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  21.01 +/- 2.32 100.000% *100.0000% (0.98   0.02   0.02) = 100.000%  kept
    Distance limit 5.17 A violated in 20 structures by 15.84 A, eliminated.
    Peak unassigned.
 
    Peak 47 (1.15, 8.58, 136.90 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 1.18, residual support = 4.83:
          QB    ALA   20 - HE1   HIS   22   4.61 +/- 0.13  99.883% * 93.7549% (0.76   1.18   4.83) =  99.999%  kept
          HB3   LEU   31 - HE1   HIS   22  17.58 +/- 1.82   0.088% *  0.5196% (0.25   0.02   0.02) =   0.000%
          QG2   VAL  107 - HE1   HIS   22  21.00 +/- 1.97   0.015% *  1.9710% (0.95   0.02   0.02) =   0.000%
          HG13  ILE  103 - HE1   HIS   22  24.04 +/- 2.19   0.008% *  1.0962% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HE1   HIS   22  30.58 +/- 2.68   0.001% *  2.0790% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  119 - HE1   HIS   22  25.71 +/- 2.35   0.005% *  0.5793% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.31 A, kept.
 
    Peak 48 (8.78, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.367, support = 4.88, residual support = 42.5:
          HN    ASN   28 - HD1   TRP   27   4.11 +/- 0.62  88.564% * 36.6561% (0.25   5.37  50.50) =  84.115%  kept
          HN    GLU-  25 - HD1   TRP   27   6.76 +/- 1.36   9.760% * 62.7223% (0.99   2.31   0.36) =  15.862%  kept
          HN    ASP-  44 - HD1   TRP   27   8.30 +/- 0.89   1.669% *  0.5371% (0.98   0.02   0.02) =   0.023%
          HN    ALA  110 - HD1   TRP   27  21.20 +/- 2.21   0.006% *  0.0845% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.10 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 = 2.35, residual support = 107.8:
      O   HE1   TRP   27 - HD1   TRP   27   2.64 +/- 0.00 100.000% *100.0000% (0.92  10.0   2.35 107.84) = 100.000%  kept
    Distance limit 3.94 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 = 1.57, residual support = 107.8:
      O   HZ3   TRP   27 - HE3   TRP   27   2.49 +/- 0.00  99.999% * 99.9802% (0.89  10.0   1.57 107.84) = 100.000%  kept
          HZ3   TRP   27 - HN    LEU   67  17.48 +/- 1.89   0.001% *  0.0198% (0.14   1.0   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 51 (4.49, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.957, support = 4.24, residual support = 107.8:
          HA    TRP   27 - HE3   TRP   27   4.39 +/- 1.09  99.631% * 98.5676% (0.96   4.24 107.84) =  99.999%  kept
          HA    ALA   91 - HE3   TRP   27  16.25 +/- 1.76   0.103% *  0.4773% (0.98   0.02   0.02) =   0.001%
          HA    VAL  107 - HE3   TRP   27  17.31 +/- 1.07   0.043% *  0.4446% (0.91   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   67  15.92 +/- 1.20   0.079% *  0.0692% (0.14   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LEU   67  17.06 +/- 0.82   0.051% *  0.0723% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HE3   TRP   27  21.72 +/- 0.83   0.012% *  0.1807% (0.37   0.02   0.02) =   0.000%
          HA    ALA  110 - HE3   TRP   27  19.75 +/- 2.38   0.025% *  0.0743% (0.15   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   67  24.29 +/- 1.43   0.006% *  0.0743% (0.15   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   67  19.05 +/- 2.83   0.037% *  0.0116% (0.02   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    LEU   67  20.99 +/- 1.72   0.014% *  0.0281% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.40 A, kept.
 
    Peak 52 (3.02, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.174, support = 4.5, residual support = 107.8:
      O   HB3   TRP   27 - HE3   TRP   27   2.87 +/- 0.31  99.868% * 98.0783% (0.17  10.0   4.50 107.84) = 100.000%  kept
          QE    LYS+  99 - HN    LEU   67  10.55 +/- 1.30   0.077% *  0.0728% (0.13   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HE3   TRP   27  15.50 +/- 2.24   0.007% *  0.5405% (0.96   1.0   0.02   0.02) =   0.000%
          QE    LYS+  99 - HE3   TRP   27  15.03 +/- 1.30   0.006% *  0.4678% (0.83   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HE3   TRP   27  17.80 +/- 1.43   0.002% *  0.5551% (0.98   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HE3   TRP   27  13.69 +/- 1.54   0.011% *  0.0864% (0.15   1.0   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU   67  17.60 +/- 2.18   0.004% *  0.0864% (0.15   1.0   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    LEU   67  12.44 +/- 1.28   0.022% *  0.0134% (0.02   1.0   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    LEU   67  19.68 +/- 0.98   0.001% *  0.0841% (0.15   1.0   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU   67  17.48 +/- 1.12   0.002% *  0.0153% (0.03   1.0   0.02   0.02) =   0.000%
    Distance limit 4.72 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 = 0.882, support = 1.48, residual support = 12.4:
          QG1   VAL   43 - HE3   TRP   27   4.64 +/- 0.83  48.275% * 71.3915% (0.99   1.50  10.54) =  84.532%  kept
          QD2   LEU   73 - HE3   TRP   27   5.51 +/- 1.23  28.204% * 19.8339% (0.28   1.50  23.98) =  13.720%  kept
          HG    LEU   31 - HE3   TRP   27   5.68 +/- 1.00  14.577% *  4.6390% (0.41   0.24   9.63) =   1.659%  kept
          QG1   VAL   41 - HE3   TRP   27   8.25 +/- 1.41   1.929% *  0.9004% (0.94   0.02   0.02) =   0.043%
          QG2   THR   46 - HE3   TRP   27   9.65 +/- 1.04   0.602% *  0.7951% (0.83   0.02   0.02) =   0.012%
          QG2   VAL   18 - HN    LEU   67   7.76 +/- 1.46   3.074% *  0.1367% (0.14   0.02   0.02) =   0.010%
          QD1   ILE   19 - HE3   TRP   27   9.58 +/- 1.37   0.662% *  0.4633% (0.48   0.02   0.02) =   0.008%
          QD2   LEU  104 - HE3   TRP   27  13.71 +/- 2.57   0.927% *  0.3247% (0.34   0.02   0.02) =   0.007%
          QG2   VAL   18 - HE3   TRP   27  10.61 +/- 1.07   0.326% *  0.8787% (0.91   0.02   0.02) =   0.007%
          QD1   ILE   19 - HN    LEU   67  10.49 +/- 1.50   0.603% *  0.0721% (0.08   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    LEU   67  12.11 +/- 0.53   0.127% *  0.1401% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   43 - HN    LEU   67  12.33 +/- 0.55   0.115% *  0.1481% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    LEU   67  10.17 +/- 0.54   0.379% *  0.0412% (0.04   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   67  12.71 +/- 1.48   0.136% *  0.0505% (0.05   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU   67  14.67 +/- 1.59   0.051% *  0.1237% (0.13   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LEU   67  18.11 +/- 0.78   0.012% *  0.0609% (0.06   0.02   0.02) =   0.000%
    Distance limit 5.17 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 = 0.542, support = 4.63, residual support = 16.0:
          QD1   LEU   73 - HE3   TRP   27   3.54 +/- 1.01  44.073% * 48.4238% (0.37   6.32  23.98) =  57.861%  kept
          QD2   LEU   80 - HE3   TRP   27   5.29 +/- 3.84  33.059% * 40.5970% (0.76   2.60   5.37) =  36.386%  kept
          QG1   VAL   83 - HE3   TRP   27   4.69 +/- 2.42  21.753% *  9.7522% (0.89   0.53   2.11) =   5.751%  kept
          QD1   LEU  104 - HE3   TRP   27  13.46 +/- 2.24   0.091% *  0.3864% (0.94   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    LEU   67   6.51 +/- 0.29   0.773% *  0.0239% (0.06   0.02   0.02) =   0.000%
          QG2   ILE   89 - HE3   TRP   27   9.59 +/- 2.00   0.128% *  0.1136% (0.28   0.02   0.02) =   0.000%
          QD1   LEU   63 - HE3   TRP   27  12.31 +/- 1.64   0.020% *  0.1533% (0.37   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   67  10.68 +/- 0.96   0.045% *  0.0461% (0.11   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   67  11.30 +/- 1.68   0.034% *  0.0601% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HE3   TRP   27  17.40 +/- 1.03   0.002% *  0.2966% (0.72   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU   67  12.14 +/- 0.30   0.017% *  0.0239% (0.06   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   67  17.56 +/- 1.35   0.002% *  0.0486% (0.12   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU   67  17.97 +/- 0.84   0.002% *  0.0570% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU   67  18.24 +/- 1.52   0.002% *  0.0177% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.71 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 = 0.718, support = 1.37, residual support = 4.11:
          QG2   VAL   75 - HE3   TRP   27   4.27 +/- 1.97  83.873% * 88.6119% (0.72   1.38   4.15) =  98.966%  kept
          QG2   VAL   42 - HE3   TRP   27   9.27 +/- 1.46   6.909% * 11.0320% (0.56   0.22   0.02) =   1.015%  kept
          QG2   VAL   42 - HN    LEU   67   6.98 +/- 0.67   9.065% *  0.1560% (0.09   0.02   0.02) =   0.019%
          QG2   VAL   75 - HN    LEU   67  14.34 +/- 0.98   0.154% *  0.2001% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 5 structures by 0.45 A, kept.
 
    Peak 56 (3.48, 7.36, 120.68 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.5, residual support = 34.7:
      O T HB2   HIS   22 - HD2   HIS   22   3.44 +/- 0.56  99.996% * 99.9216% (0.92  10.0 10.00   2.50  34.66) = 100.000%  kept
          HA    LEU   63 - HD2   HIS   22  21.04 +/- 1.09   0.003% *  0.0569% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HD2   HIS   22  27.91 +/- 2.51   0.001% *  0.0214% (0.20   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.63 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 = 3.12, residual support = 34.7:
      O T HB3   HIS   22 - HD2   HIS   22   3.34 +/- 0.51  99.998% * 99.8217% (0.45  10.0 10.00   3.12  34.66) = 100.000%  kept
          HD3   ARG+  54 - HD2   HIS   22  24.43 +/- 3.98   0.002% *  0.1783% (0.80   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 58 (2.79, 7.36, 120.68 ppm):
    5 chemical-shift based assignments, quality = 0.817, support = 0.02, residual support = 0.02:
          QE    LYS+  74 - HD2   HIS   22  11.46 +/- 0.81  49.631% * 29.7119% (0.92   0.02   0.02) =  73.788%  kept
          HB3   ASP-  78 - HD2   HIS   22  15.84 +/- 2.42  11.332% * 19.5221% (0.61   0.02   0.02) =  11.069%  kept
          HB2   PHE   72 - HD2   HIS   22  12.35 +/- 0.81  33.618% *  4.9662% (0.15   0.02   0.02) =   8.354%  kept
          QB    CYS   50 - HD2   HIS   22  18.81 +/- 2.77   3.677% * 28.8658% (0.90   0.02   0.02) =   5.311%  kept
          HB3   ASN   69 - HD2   HIS   22  20.42 +/- 1.52   1.743% * 16.9340% (0.53   0.02   0.02) =   1.477%  kept
    Distance limit 5.21 A violated in 20 structures by 4.95 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 = 4.83:
        T QB    ALA   20 - HD2   HIS   22   4.98 +/- 0.20  99.887% * 98.9678% (0.28 10.00   2.12   4.83) = 100.000%  kept
          QG2   VAL  107 - HD2   HIS   22  20.20 +/- 1.13   0.024% *  0.3088% (0.87  1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   HIS   22  21.50 +/- 1.63   0.018% *  0.3435% (0.97  1.00   0.02   0.02) =   0.000%
          QG2   THR   94 - HD2   HIS   22  17.52 +/- 1.22   0.066% *  0.0704% (0.20  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HD2   HIS   22  28.82 +/- 2.40   0.003% *  0.2303% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HD2   HIS   22  29.84 +/- 3.12   0.003% *  0.0792% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.81 A violated in 0 structures by 0.20 A, kept.
 
    Peak 60 (4.74, 7.36, 120.68 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HA    PRO   68 - HD2   HIS   22  19.68 +/- 2.19 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 5.15 A violated in 20 structures by 14.52 A, eliminated.
    Peak unassigned.
 
    Peak 61 (4.58, 7.36, 120.68 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 3.12, residual support = 6.66:
          HA    CYS   21 - HD2   HIS   22   3.76 +/- 0.29  99.974% * 97.3365% (0.95   3.12   6.66) = 100.000%  kept
          HA    TRP   49 - HD2   HIS   22  22.63 +/- 3.51   0.005% *  0.6603% (1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HD2   HIS   22  22.33 +/- 3.26   0.004% *  0.6246% (0.95   0.02   0.02) =   0.000%
          HA    ALA   47 - HD2   HIS   22  18.29 +/- 2.38   0.012% *  0.1836% (0.28   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD2   HIS   22  23.74 +/- 2.13   0.002% *  0.4271% (0.65   0.02   0.02) =   0.000%
          HA1   GLY  109 - HD2   HIS   22  28.15 +/- 1.98   0.001% *  0.6372% (0.97   0.02   0.02) =   0.000%
          HA    VAL  108 - HD2   HIS   22  24.48 +/- 1.72   0.002% *  0.1307% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.91 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 = 0.948, support = 3.19, residual support = 48.6:
          HA    ASN   28 - HD1   TRP   27   4.59 +/- 1.43  75.103% * 79.2926% (1.00   3.23  50.50) =  93.128%  kept
          HA    THR   26 - HD1   TRP   27   6.50 +/- 0.98  23.986% * 18.3088% (0.28   2.67  22.70) =   6.868%  kept
          HA    ALA   34 - HD1   TRP   27  10.82 +/- 2.00   0.427% *  0.4545% (0.92   0.02   0.02) =   0.003%
          HA1   GLY  101 - HD1   TRP   27  13.67 +/- 2.59   0.165% *  0.3763% (0.76   0.02   0.02) =   0.001%
          HA    LYS+  81 - HD1   TRP   27  13.84 +/- 2.04   0.252% *  0.0974% (0.20   0.02   0.02) =   0.000%
          HA    LEU  115 - HD1   TRP   27  20.73 +/- 1.03   0.008% *  0.4880% (0.99   0.02   0.02) =   0.000%
          HA    ARG+  54 - HD1   TRP   27  21.55 +/- 1.91   0.010% *  0.3382% (0.69   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD1   TRP   27  15.20 +/- 1.71   0.045% *  0.0666% (0.14   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD1   TRP   27  24.25 +/- 1.44   0.003% *  0.2986% (0.61   0.02   0.02) =   0.000%
          HA    ALA  124 - HD1   TRP   27  25.72 +/- 3.51   0.003% *  0.2788% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.79 A violated in 0 structures by 0.04 A, kept.
 
    Peak 63 (3.77, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 5.57, residual support = 23.7:
          HA    VAL   24 - HD1   TRP   27   4.15 +/- 1.18  99.594% * 99.5608% (1.00   5.57  23.65) =  99.999%  kept
          HA    LYS+  38 - HD1   TRP   27  14.30 +/- 2.05   0.304% *  0.2461% (0.69   0.02   0.02) =   0.001%
          HD2   PRO   68 - HD1   TRP   27  18.42 +/- 2.23   0.048% *  0.1222% (0.34   0.02   0.02) =   0.000%
          HA    ALA   61 - HD1   TRP   27  17.48 +/- 2.29   0.053% *  0.0709% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.34 A, kept.
 
    Peak 64 (3.58, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.65, residual support = 107.8:
      O T HB2   TRP   27 - HD1   TRP   27   3.37 +/- 0.46  99.950% * 99.7544% (0.65  10.0 10.00   3.65 107.84) = 100.000%  kept
          HA    THR   77 - HD1   TRP   27  12.65 +/- 1.76   0.047% *  0.1459% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HD2   PRO   93 - HD1   TRP   27  19.08 +/- 1.22   0.004% *  0.0998% (0.65   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 65 (2.98, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.08, residual support = 107.8:
      O T HB3   TRP   27 - HD1   TRP   27   3.65 +/- 0.17  99.940% * 99.6316% (0.73  10.0 10.00   4.08 107.84) = 100.000%  kept
          HB2   PHE   97 - HD1   TRP   27  14.78 +/- 1.49   0.026% *  0.1049% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HD1   TRP   27  15.86 +/- 1.81   0.020% *  0.1267% (0.92   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HD1   TRP   27  16.35 +/- 1.46   0.014% *  0.1369% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.63 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 = 0.62, support = 2.9, residual support = 23.7:
          QG2   VAL   24 - HD1   TRP   27   5.00 +/- 1.74  43.060% * 70.6034% (0.76  1.00   3.03  23.65) =  68.316%  kept
          QG1   VAL   24 - HD1   TRP   27   4.68 +/- 1.14  56.832% * 24.8061% (0.31  1.00   2.63  23.65) =  31.679%  kept
        T QG1   VAL  107 - HD1   TRP   27  16.03 +/- 1.00   0.053% *  3.9485% (0.65 10.00   0.02   0.02) =   0.005%
          HG    LEU   63 - HD1   TRP   27  17.22 +/- 1.55   0.044% *  0.3702% (0.61  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD1   TRP   27  25.17 +/- 2.89   0.007% *  0.1359% (0.22  1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HD1   TRP   27  25.78 +/- 2.78   0.005% *  0.1359% (0.22  1.00   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.15 A, kept.
 
    Peak 67 (0.60, 7.19, 127.61 ppm):
    7 chemical-shift based assignments, quality = 0.546, support = 3.42, residual support = 20.5:
          QD1   LEU   73 - HD1   TRP   27   3.36 +/- 1.50  76.270% * 41.0453% (0.49   3.82  23.98) =  82.823%  kept
          QG1   VAL   83 - HD1   TRP   27   6.13 +/- 1.89  15.107% * 23.8672% (0.80   1.35   2.11) =   9.539%  kept
          QD2   LEU   80 - HD1   TRP   27   6.54 +/- 2.93   8.496% * 33.9778% (0.87   1.77   5.37) =   7.638%  kept
          QD1   LEU  104 - HD1   TRP   27  13.88 +/- 2.19   0.019% *  0.4380% (0.99   0.02   0.02) =   0.000%
          QG2   ILE   89 - HD1   TRP   27  11.50 +/- 1.56   0.079% *  0.0875% (0.20   0.02   0.02) =   0.000%
          QD1   LEU   63 - HD1   TRP   27  13.26 +/- 1.20   0.025% *  0.2151% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HD1   TRP   27  18.65 +/- 1.07   0.003% *  0.3691% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.03 A, kept.
 
    Peak 68 (0.08, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.768, support = 1.28, residual support = 8.49:
          QD2   LEU   31 - HD1   TRP   27   3.62 +/- 1.59  84.566% * 48.3789% (0.73   1.33   9.63) =  84.766%  kept
          QG2   VAL   83 - HD1   TRP   27   7.39 +/- 1.60  14.480% * 50.7208% (1.00   1.01   2.11) =  15.216%  kept
          QD1   ILE   89 - HD1   TRP   27  10.82 +/- 2.59   0.955% *  0.9003% (0.90   0.02   0.02) =   0.018%
    Distance limit 4.68 A violated in 0 structures by 0.10 A, kept.
 
    Peak 69 (6.73, 6.31, 122.21 ppm):
    2 chemical-shift based assignments, quality = 0.278, support = 1.25, residual support = 107.8:
      O T HZ2   TRP   27 - HH2   TRP   27   2.52 +/- 0.00  99.996% * 99.7536% (0.28  10.0 10.00   1.25 107.84) = 100.000%  kept
          HZ    PHE   72 - HH2   TRP   27  14.56 +/- 1.83   0.004% *  0.2464% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 70 (6.75, 6.35, 121.95 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.02, residual support = 107.8:
      O   HZ2   TRP   27 - HZ3   TRP   27   4.30 +/- 0.00 100.000% *100.0000% (0.92  10.0   2.02 107.84) = 100.000%  kept
    Distance limit 5.21 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 = 1.57, residual support = 107.8:
      O   HE3   TRP   27 - HZ3   TRP   27   2.49 +/- 0.00  99.895% * 99.6561% (1.00  10.0   1.57 107.84) = 100.000%  kept
          HN    THR   23 - HZ3   TRP   27   8.98 +/- 1.01   0.057% *  0.0771% (0.61   1.0   0.02   0.94) =   0.000%
          QE    PHE   95 - HZ3   TRP   27  11.04 +/- 1.17   0.017% *  0.0822% (0.65   1.0   0.02   0.02) =   0.000%
          HN    LYS+  81 - HZ3   TRP   27  11.76 +/- 3.83   0.030% *  0.0283% (0.22   1.0   0.02   0.02) =   0.000%
          QD    PHE   55 - HZ3   TRP   27  19.46 +/- 1.23   0.001% *  0.1246% (0.98   1.0   0.02   0.02) =   0.000%
          HN    LEU   67 - HZ3   TRP   27  17.48 +/- 1.89   0.001% *  0.0317% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 5.24 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 = 0.918, support = 1.42, residual support = 10.5:
        T QG1   VAL   43 - HH2   TRP   27   3.15 +/- 0.79  89.324% * 90.4070% (0.92 10.00   1.43  10.54) =  99.499%  kept
          QD2   LEU   73 - HH2   TRP   27   6.85 +/- 1.45   6.940% *  4.3675% (0.49  1.00   1.31  23.98) =   0.373%
          HG    LEU   31 - HH2   TRP   27   6.85 +/- 1.53   2.115% *  4.8088% (0.65  1.00   1.08   9.63) =   0.125%
          QG1   VAL   41 - HH2   TRP   27   7.75 +/- 1.81   1.026% *  0.1371% (1.00  1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HH2   TRP   27   9.33 +/- 1.20   0.375% *  0.0833% (0.61  1.00   0.02   0.02) =   0.000%
          QG2   VAL   18 - HH2   TRP   27  11.20 +/- 1.33   0.101% *  0.0998% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HH2   TRP   27  11.33 +/- 1.22   0.058% *  0.0382% (0.28  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HH2   TRP   27  11.90 +/- 2.41   0.045% *  0.0241% (0.18  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HH2   TRP   27  14.01 +/- 1.80   0.016% *  0.0343% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.03 A, kept.
 
    Peak 73 (0.76, 6.35, 121.95 ppm):
    9 chemical-shift based assignments, quality = 0.918, support = 2.94, residual support = 10.6:
        T QG1   VAL   43 - HZ3   TRP   27   3.73 +/- 0.80  78.624% * 92.0407% (0.92 10.00   2.96  10.54) =  99.158%  kept
          QD2   LEU   73 - HZ3   TRP   27   6.32 +/- 1.61  11.925% *  3.5669% (0.49  1.00   1.47  23.98) =   0.583%  kept
          HG    LEU   31 - HZ3   TRP   27   6.68 +/- 1.31   4.528% *  4.0900% (0.65  1.00   1.27   9.63) =   0.254%
          QG1   VAL   41 - HZ3   TRP   27   8.10 +/- 2.04   3.518% *  0.0995% (1.00  1.00   0.02   0.02) =   0.005%
          QG2   THR   46 - HZ3   TRP   27   9.21 +/- 0.70   0.706% *  0.0605% (0.61  1.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HZ3   TRP   27  10.88 +/- 0.99   0.177% *  0.0724% (0.73  1.00   0.02   0.02) =   0.000%
          QD1   ILE   19 - HZ3   TRP   27  10.72 +/- 1.56   0.213% *  0.0277% (0.28  1.00   0.02   0.02) =   0.000%
          QD2   LEU  104 - HZ3   TRP   27  12.75 +/- 2.78   0.279% *  0.0175% (0.18  1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - HZ3   TRP   27  14.47 +/- 1.78   0.031% *  0.0249% (0.25  1.00   0.02   0.02) =   0.000%
    Distance limit 4.77 A violated in 0 structures by 0.02 A, kept.
 
    Peak 74 (0.58, 6.35, 121.95 ppm):
    9 chemical-shift based assignments, quality = 0.875, support = 2.49, residual support = 23.0:
        T QD1   LEU   73 - HZ3   TRP   27   4.57 +/- 1.36  29.900% * 93.4973% (0.90 10.00   2.55  23.98) =  94.663%  kept
          QD2   LEU   80 - HZ3   TRP   27   6.12 +/- 4.14  35.012% *  4.2014% (0.53  1.00   1.53   5.37) =   4.981%  kept
          QD1   LEU   80 - HZ3   TRP   27   7.28 +/- 3.97  10.884% *  0.8534% (0.15  1.00   1.06   5.37) =   0.315%
        T QD1   LEU  104 - HZ3   TRP   27  12.57 +/- 2.55   1.752% *  0.3218% (0.31 10.00   0.02   0.02) =   0.019%
          QG2   VAL   41 - HZ3   TRP   27   5.89 +/- 1.87  17.039% *  0.0290% (0.28  1.00   0.02   0.02) =   0.017%
        T QD1   LEU   63 - HZ3   TRP   27  11.53 +/- 1.86   0.098% *  0.9350% (0.90 10.00   0.02   0.02) =   0.003%
          QD2   LEU   98 - HZ3   TRP   27   6.71 +/- 1.59   5.262% *  0.0161% (0.15  1.00   0.02   0.02) =   0.003%
          QD2   LEU   63 - HZ3   TRP   27  12.67 +/- 1.90   0.045% *  0.0871% (0.84  1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HZ3   TRP   27  16.34 +/- 1.10   0.010% *  0.0590% (0.57  1.00   0.02   0.02) =   0.000%
    Distance limit 5.06 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 = 0.791, support = 1.45, residual support = 8.77:
        T QD2   LEU   31 - HZ3   TRP   27   5.26 +/- 1.74  30.812% * 94.0248% (0.76 10.00   1.54   9.63) =  88.501%  kept
          QG2   VAL   83 - HZ3   TRP   27   4.82 +/- 2.91  64.377% *  5.8368% (1.00  1.00   0.73   2.11) =  11.479%  kept
          QD1   ILE   89 - HZ3   TRP   27   7.63 +/- 2.89   4.811% *  0.1384% (0.87  1.00   0.02   0.02) =   0.020%
    Distance limit 4.60 A violated in 0 structures by 0.04 A, kept.
 
    Peak 76 (0.08, 6.31, 122.21 ppm):
    3 chemical-shift based assignments, quality = 0.924, support = 1.61, residual support = 4.44:
          QG2   VAL   83 - HH2   TRP   27   5.21 +/- 2.69  58.392% * 52.5853% (1.00   1.53   2.11) =  68.852%  kept
          QD2   LEU   31 - HH2   TRP   27   5.44 +/- 1.55  29.516% * 46.8180% (0.76   1.78   9.63) =  30.986%  kept
          QD1   ILE   89 - HH2   TRP   27   7.28 +/- 2.76  12.092% *  0.5968% (0.87   0.02   0.02) =   0.162%
    Distance limit 4.58 A violated in 0 structures by 0.04 A, kept.
 
    Peak 77 (0.58, 6.31, 122.21 ppm):
    8 chemical-shift based assignments, quality = 0.846, support = 2.18, residual support = 18.0:
          QD1   LEU   73 - HH2   TRP   27   5.20 +/- 0.90  19.878% * 62.2478% (1.00   2.49  23.98) =  69.989%  kept
          QD2   LEU   80 - HH2   TRP   27   7.17 +/- 3.87   9.263% * 31.6210% (0.76   1.65   5.37) =  16.567%  kept
          QG1   VAL   83 - HH2   TRP   27   5.22 +/- 2.97  51.387% *  4.5955% (0.15   1.19   2.11) =  13.357%  kept
          QG2   VAL   41 - HH2   TRP   27   5.75 +/- 1.57  18.639% *  0.0678% (0.14   0.02   0.02) =   0.071%
          QD1   LEU  104 - HH2   TRP   27  11.85 +/- 2.17   0.587% *  0.2635% (0.53   0.02   0.02) =   0.009%
          QD1   LEU   63 - HH2   TRP   27  11.12 +/- 1.63   0.163% *  0.4997% (1.00   0.02   0.02) =   0.005%
          QD2   LEU   63 - HH2   TRP   27  12.24 +/- 1.52   0.067% *  0.3037% (0.61   0.02   0.02) =   0.001%
          QD2   LEU  115 - HH2   TRP   27  15.79 +/- 1.15   0.016% *  0.4010% (0.80   0.02   0.02) =   0.000%
    Distance limit 5.20 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 = 1.25, residual support = 107.8:
      O T HH2   TRP   27 - HZ2   TRP   27   2.52 +/- 0.00 100.000% *100.0000% (0.99  10.0 10.00   1.25 107.84) = 100.000%  kept
    Distance limit 3.94 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 = 0.924, support = 1.61, residual support = 25.6:
          HZ2   TRP   87 - HZ2   TRP   27   5.39 +/- 3.25  66.805% * 24.7479% (0.98   0.75   2.64) =  51.737%  kept
          HD21  ASN   28 - HZ2   TRP   27   6.77 +/- 1.47  20.623% * 74.5038% (0.87   2.55  50.50) =  48.082%  kept
          QE    PHE   60 - HZ2   TRP   27  11.26 +/- 2.91  12.448% *  0.4625% (0.69   0.02   0.02) =   0.180%
          HN    LEU   63 - HZ2   TRP   27  16.61 +/- 1.47   0.079% *  0.1679% (0.25   0.02   0.02) =   0.000%
          HN    ILE   56 - HZ2   TRP   27  18.61 +/- 1.98   0.045% *  0.1179% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.03 A violated in 3 structures by 0.36 A, kept.
 
    Peak 80 (10.20, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 1.74, residual support = 107.8:
      O   HE1   TRP   27 - HZ2   TRP   27   2.85 +/- 0.00 100.000% *100.0000% (0.90  10.0   1.74 107.84) = 100.000%  kept
    Distance limit 4.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (10.57, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 0.75, residual support = 2.64:
          HE1   TRP   87 - HZ2   TRP   27   6.24 +/- 2.69 100.000% *100.0000% (0.92   0.75   2.64) = 100.000%  kept
    Distance limit 4.87 A violated in 9 structures by 1.64 A, kept.
 
    Peak 82 (0.05, 6.75, 114.38 ppm):
    2 chemical-shift based assignments, quality = 0.836, support = 1.71, residual support = 10.4:
        T QG2   VAL   43 - HZ2   TRP   27   3.20 +/- 0.63  82.327% * 55.3746% (0.90 10.00   1.35  10.54) =  85.252%  kept
        T QD2   LEU   31 - HZ2   TRP   27   4.79 +/- 1.25  17.673% * 44.6254% (0.49 10.00   3.79   9.63) =  14.748%  kept
    Distance limit 4.38 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 = 0.903, support = 2.79, residual support = 11.6:
        T QD1   ILE   89 - QD    PHE   45   3.54 +/- 1.55  58.839% * 91.4787% (0.90 10.00   2.86  12.18) =  93.960%  kept
          QG2   VAL   83 - QD    PHE   45   3.65 +/- 1.24  40.955% *  8.4472% (1.00  1.00   1.66   1.98) =   6.039%  kept
          QD2   LEU   31 - QD    PHE   45   8.79 +/- 0.72   0.205% *  0.0741% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 0.969, support = 2.67, residual support = 9.38:
          QD1   ILE   89 - QE    PHE   45   3.54 +/- 1.78  53.104% * 69.5704% (0.97   3.16  12.18) =  72.548%  kept
          QG2   VAL   83 - QE    PHE   45   3.20 +/- 0.89  46.358% * 30.1533% (0.98   1.35   1.98) =  27.449%  kept
          QD2   LEU   31 - QE    PHE   45   7.73 +/- 1.05   0.538% *  0.2763% (0.61   0.02   0.02) =   0.003%
    Distance limit 4.14 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 = 3.1, residual support = 18.4:
        T QG1   VAL   75 - QD    PHE   45   2.66 +/- 0.59  99.937% * 99.9034% (1.00 10.00   3.10  18.42) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   45  10.10 +/- 0.84   0.063% *  0.0966% (0.97  1.00   0.02   0.02) =   0.000%
    Distance limit 4.45 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 = 0.99, support = 2.12, residual support = 18.4:
        T HB    VAL   75 - QD    PHE   45   3.87 +/- 1.08  89.756% * 98.5295% (0.99 10.00   2.13  18.42) =  99.915%  kept
          HG3   LYS+  74 - QD    PHE   45   8.06 +/- 1.18   5.854% *  1.2502% (0.38  1.00   0.67   0.02) =   0.083%
          QG2   ILE  103 - QD    PHE   45   9.32 +/- 1.30   2.619% *  0.0484% (0.49  1.00   0.02   0.02) =   0.001%
          QD2   LEU   40 - QD    PHE   45  10.75 +/- 1.05   0.446% *  0.0643% (0.65  1.00   0.02   0.02) =   0.000%
          QD1   ILE  119 - QD    PHE   45  11.52 +/- 1.16   0.434% *  0.0339% (0.34  1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD    PHE   45  12.15 +/- 1.39   0.201% *  0.0603% (0.61  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QD    PHE   45  12.83 +/- 1.68   0.690% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 1 structures by 0.20 A, kept.
 
    Peak 87 (1.32, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.596, support = 2.85, residual support = 10.2:
        T QG2   THR   77 - QD    PHE   45   3.81 +/- 1.22  66.119% * 76.1631% (0.65 10.00   2.65   9.00) =  88.593%  kept
        T HB3   ASP-  44 - QD    PHE   45   4.41 +/- 0.33  27.814% * 23.2995% (0.20 10.00   4.41  19.74) =  11.401%  kept
          HB3   LEU   80 - QD    PHE   45   7.25 +/- 1.88   4.601% *  0.0442% (0.38  1.00   0.02   0.02) =   0.004%
          QB    ALA   88 - QD    PHE   45   7.74 +/- 0.92   1.276% *  0.1136% (0.97  1.00   0.02   0.02) =   0.003%
          HB2   LEU   63 - QD    PHE   45  11.42 +/- 1.63   0.103% *  0.0327% (0.28  1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    PHE   45  12.86 +/- 0.93   0.049% *  0.0619% (0.53  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD    PHE   45  14.26 +/- 1.45   0.026% *  0.0714% (0.61  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    PHE   45  16.85 +/- 1.15   0.009% *  0.1021% (0.87  1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    PHE   45  20.08 +/- 0.72   0.003% *  0.1114% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.05 A, kept.
 
    Peak 88 (1.20, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.735, support = 0.75, residual support = 25.1:
          QG2   THR   94 - QD    PHE   45   3.95 +/- 0.80  71.152% * 67.1270% (0.80   0.75  27.12) =  86.615%  kept
          HG12  ILE   89 - QD    PHE   45   5.25 +/- 1.39  28.502% * 25.8744% (0.31   0.75  12.18) =  13.374%  kept
          HB3   LEU   71 - QD    PHE   45  12.69 +/- 1.09   0.128% *  2.2157% (0.99   0.02   0.02) =   0.005%
          HD2   LYS+ 112 - QD    PHE   45  15.53 +/- 2.23   0.093% *  2.2355% (1.00   0.02   0.02) =   0.004%
          HB3   LYS+ 112 - QD    PHE   45  15.95 +/- 1.24   0.052% *  1.7084% (0.76   0.02   0.02) =   0.002%
          HG3   LYS+ 111 - QD    PHE   45  14.09 +/- 1.69   0.073% *  0.8390% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.77 A violated in 0 structures by 0.03 A, kept.
 
    Peak 89 (0.45, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 2.44, residual support = 18.4:
        T QG1   VAL   75 - QE    PHE   45   3.09 +/- 0.60  99.915% * 99.9191% (0.90 10.00   2.44  18.42) = 100.000%  kept
          QD1   LEU  115 - QE    PHE   45  11.23 +/- 1.04   0.085% *  0.0809% (0.73  1.00   0.02   0.02) =   0.000%
    Distance limit 4.82 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 = 0.597, support = 0.721, residual support = 11.7:
          HB    ILE   89 - QE    PHE   45   5.59 +/- 1.93  28.638% * 94.4406% (0.61   0.75  12.18) =  96.071%  kept
          HB    VAL   43 - QE    PHE   45   3.98 +/- 1.64  70.558% *  1.5584% (0.38   0.02   0.02) =   3.906%  kept
          QG1   ILE   56 - QE    PHE   45  10.13 +/- 1.88   0.584% *  0.6407% (0.15   0.02   0.02) =   0.013%
          QD    LYS+  81 - QE    PHE   45  11.38 +/- 1.05   0.157% *  1.2816% (0.31   0.02   0.02) =   0.007%
          HB2   LYS+  99 - QE    PHE   45  14.19 +/- 1.74   0.034% *  1.1545% (0.28   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QE    PHE   45  14.35 +/- 1.41   0.029% *  0.9244% (0.22   0.02   0.02) =   0.001%
    Distance limit 4.89 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 = 9.14:
          HB3   MET   96 - QE    PHE   45   4.17 +/- 2.06  94.767% * 93.6215% (0.45   2.00   9.15) =  99.914%  kept
          HB    VAL   18 - QE    PHE   45  11.95 +/- 1.59   4.175% *  1.4345% (0.69   0.02   0.02) =   0.067%
          HB3   ARG+  54 - QE    PHE   45  15.52 +/- 1.68   0.536% *  1.9278% (0.92   0.02   0.02) =   0.012%
          HB2   LEU   40 - QE    PHE   45  13.64 +/- 0.97   0.198% *  1.7444% (0.84   0.02   0.02) =   0.004%
          HB2   LEU   67 - QE    PHE   45  15.07 +/- 1.70   0.265% *  0.8586% (0.41   0.02   0.02) =   0.003%
          HB3   GLU-  14 - QE    PHE   45  19.16 +/- 1.55   0.059% *  0.4133% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.96 A violated in 3 structures by 0.51 A, kept.
 
    Peak 92 (2.24, 6.68, 130.18 ppm):
    10 chemical-shift based assignments, quality = 0.232, support = 1.89, residual support = 8.96:
        T HB2   MET   96 - QE    PHE   45   5.22 +/- 1.99  79.101% * 80.2588% (0.22 10.00   1.91   9.15) =  97.785%  kept
          HB3   ASP-  76 - QE    PHE   45   9.16 +/- 1.34   8.018% * 15.7319% (0.73  1.00   1.15   0.46) =   1.943%  kept
          QG    GLN   90 - QE    PHE   45   8.38 +/- 1.81   8.675% *  1.8087% (0.22  1.00   0.43   0.02) =   0.242%
        T HB3   PHE   72 - QE    PHE   45  10.50 +/- 0.81   1.847% *  0.6594% (0.18 10.00   0.02   0.02) =   0.019%
          HG3   MET   92 - QE    PHE   45  10.79 +/- 1.21   1.109% *  0.3634% (0.97  1.00   0.02   0.02) =   0.006%
          HB2   ASP- 105 - QE    PHE   45  12.05 +/- 1.53   0.451% *  0.3476% (0.92  1.00   0.02   0.02) =   0.002%
          HB2   GLU-  29 - QE    PHE   45  13.94 +/- 1.07   0.416% *  0.3377% (0.90  1.00   0.02   0.02) =   0.002%
          HG12  ILE  119 - QE    PHE   45  13.82 +/- 1.50   0.231% *  0.1981% (0.53  1.00   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QE    PHE   45  17.58 +/- 1.68   0.055% *  0.2436% (0.65  1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   45  17.21 +/- 1.23   0.096% *  0.0510% (0.14  1.00   0.02   0.02) =   0.000%
    Distance limit 5.22 A violated in 2 structures by 0.30 A, kept.
 
    Peak 93 (6.37, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 1.0, residual support = 80.1:
      O T HZ    PHE   45 - QE    PHE   45   2.18 +/- 0.00  91.244% * 99.8696% (0.53  10.0 10.00   1.00  80.15) =  99.987%  kept
          HZ3   TRP   27 - QE    PHE   45   4.80 +/- 2.18   8.756% *  0.1304% (0.69   1.0  1.00   0.02   0.02) =   0.013%
    Distance limit 3.95 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 = 3.52, residual support = 80.2:
      O   QD    PHE   45 - QE    PHE   45   2.23 +/- 0.00  99.997% * 99.6976% (0.65  10.0   3.52  80.15) = 100.000%  kept
          HD2   HIS  122 - QE    PHE   45  13.72 +/- 2.14   0.003% *  0.1382% (0.90   1.0   0.02   0.02) =   0.000%
          HE22  GLN  116 - QE    PHE   45  19.03 +/- 1.65   0.000% *  0.1337% (0.87   1.0   0.02   0.02) =   0.000%
          HE22  GLN   17 - QE    PHE   45  17.90 +/- 1.38   0.000% *  0.0305% (0.20   1.0   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 95 (1.94, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.8, support = 2.0, residual support = 9.15:
          HB3   MET   96 - QD    PHE   45   5.14 +/- 1.24  94.366% * 96.5073% (0.80   2.00   9.15) =  99.970%  kept
          HB    VAL   18 - QD    PHE   45  11.14 +/- 1.44   4.037% *  0.4112% (0.34   0.02   0.02) =   0.018%
          HB3   ARG+  54 - QD    PHE   45  13.56 +/- 1.47   0.823% *  0.7312% (0.61   0.02   0.02) =   0.007%
          HB2   LEU   40 - QD    PHE   45  14.29 +/- 0.51   0.309% *  1.2055% (1.00   0.02   0.02) =   0.004%
          HB2   LEU   67 - QD    PHE   45  14.83 +/- 1.57   0.393% *  0.1860% (0.15   0.02   0.02) =   0.001%
          HB3   GLU-  14 - QD    PHE   45  19.08 +/- 1.47   0.066% *  0.5868% (0.49   0.02   0.02) =   0.000%
          HG3   MET   11 - QD    PHE   45  26.66 +/- 3.04   0.007% *  0.3721% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.16 A violated in 4 structures by 0.47 A, kept.
 
    Peak 96 (2.22, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.876, support = 1.95, residual support = 7.78:
          HB2   MET   96 - QD    PHE   45   6.30 +/- 1.25  71.258% * 51.9561% (0.87   2.00   9.15) =  84.230%  kept
          HB3   ASP-  76 - QD    PHE   45   8.23 +/- 0.68  14.995% * 46.0174% (0.92   1.66   0.46) =  15.699%  kept
          HG3   MET   92 - QD    PHE   45   9.23 +/- 0.91   9.226% *  0.2043% (0.34   0.02   0.02) =   0.043%
          HB2   ASP- 105 - QD    PHE   45  12.20 +/- 0.95   1.308% *  0.4349% (0.73   0.02   0.02) =   0.013%
          HB2   GLU-  25 - QD    PHE   45  13.46 +/- 1.20   1.212% *  0.1665% (0.28   0.02   0.02) =   0.005%
          HB    VAL   70 - QD    PHE   45  14.26 +/- 0.80   0.650% *  0.2685% (0.45   0.02   0.02) =   0.004%
          QG    GLN   17 - QD    PHE   45  14.39 +/- 0.93   0.729% *  0.2248% (0.38   0.02   0.02) =   0.004%
          HB2   GLU-  29 - QD    PHE   45  14.94 +/- 0.80   0.520% *  0.1494% (0.25   0.02   0.02) =   0.002%
          HG2   GLU- 100 - QD    PHE   45  18.81 +/- 1.36   0.101% *  0.5780% (0.97   0.02   0.02) =   0.001%
    Distance limit 5.42 A violated in 7 structures by 0.68 A, kept.
 
    Peak 97 (2.43, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.95, residual support = 80.2:
      O T HB3   PHE   45 - QD    PHE   45   2.52 +/- 0.16  99.769% * 99.5701% (0.80  10.0 10.00   4.95  80.15) = 100.000%  kept
          HB3   ASP-  86 - QD    PHE   45   7.89 +/- 1.15   0.162% *  0.1079% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB    VAL  107 - QD    PHE   45   8.99 +/- 0.75   0.056% *  0.0467% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QD    PHE   45  13.73 +/- 1.75   0.006% *  0.0996% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QD    PHE   45  14.28 +/- 1.25   0.004% *  0.0557% (0.45   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QD    PHE   45  15.82 +/- 0.84   0.002% *  0.1200% (0.97   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 98 (3.06, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.24, residual support = 80.2:
      O T HB2   PHE   45 - QD    PHE   45   2.52 +/- 0.17  99.935% * 99.8423% (0.97  10.0 10.00   4.24  80.15) = 100.000%  kept
          HB2   CYS   21 - QD    PHE   45   9.81 +/- 1.79   0.059% *  0.0544% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 111 - QD    PHE   45  13.48 +/- 1.27   0.006% *  0.1032% (1.00   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 99 (3.95, 6.86, 131.77 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.96, residual support = 27.1:
          HB    THR   94 - QD    PHE   45   3.54 +/- 0.66  98.241% * 93.8952% (0.69   2.96  27.12) =  99.991%  kept
          QB    SER   85 - QD    PHE   45   9.34 +/- 0.79   0.382% *  0.8745% (0.95   0.02   0.02) =   0.004%
          QB    SER   48 - QD    PHE   45  10.29 +/- 0.72   0.301% *  0.7403% (0.80   0.02   0.02) =   0.002%
          HA    ALA   88 - QD    PHE   45   8.53 +/- 0.92   0.763% *  0.1426% (0.15   0.02   0.02) =   0.001%
          HD2   PRO   52 - QD    PHE   45  11.45 +/- 1.33   0.146% *  0.2853% (0.31   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    PHE   45  13.77 +/- 0.89   0.054% *  0.4864% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD    PHE   45  16.54 +/- 1.35   0.024% *  0.8291% (0.90   0.02   0.02) =   0.000%
          QB    SER  117 - QD    PHE   45  14.20 +/- 1.18   0.044% *  0.2570% (0.28   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    PHE   45  18.07 +/- 1.01   0.010% *  0.8745% (0.95   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   45  17.94 +/- 1.04   0.008% *  0.8922% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   45  17.41 +/- 1.16   0.010% *  0.5607% (0.61   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    PHE   45  16.53 +/- 0.94   0.016% *  0.1619% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.93 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 = 0.34, support = 4.31, residual support = 19.6:
          HA    ASP-  44 - QD    PHE   45   3.25 +/- 0.72  90.826% * 81.7793% (0.34   4.35  19.74) =  98.771%  kept
          HB    THR   77 - QD    PHE   45   6.41 +/- 1.28   7.087% * 12.9491% (0.28   0.85   9.00) =   1.220%  kept
          HA    TRP   87 - QD    PHE   45   7.46 +/- 0.80   1.490% *  0.1700% (0.15   0.02   0.02) =   0.003%
          HA    ASP-  86 - QD    PHE   45   9.39 +/- 0.83   0.224% *  1.0801% (0.98   0.02   0.02) =   0.003%
          HA    SER   85 - QD    PHE   45   9.25 +/- 0.84   0.208% *  0.3064% (0.28   0.02   0.02) =   0.001%
          HA    ILE  103 - QD    PHE   45  11.83 +/- 1.61   0.131% *  0.2181% (0.20   0.02   0.02) =   0.000%
          HA    LEU  104 - QD    PHE   45  14.19 +/- 1.70   0.028% *  0.9204% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   45  19.75 +/- 1.18   0.003% *  1.0995% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   45  23.84 +/- 2.58   0.001% *  1.0635% (0.97   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   45  25.86 +/- 3.34   0.001% *  0.4136% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.29 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 = 4.95, residual support = 80.1:
          HA    PHE   45 - QD    PHE   45   2.80 +/- 0.62  99.183% * 96.7845% (0.25   4.95  80.15) =  99.996%  kept
          HA    MET   92 - QD    PHE   45   7.55 +/- 0.85   0.776% *  0.3911% (0.25   0.02   0.02) =   0.003%
          HA    VAL   41 - QD    PHE   45  11.16 +/- 0.54   0.036% *  1.2559% (0.80   0.02   0.02) =   0.000%
          HA    HIS  122 - QD    PHE   45  16.47 +/- 1.77   0.005% *  1.5685% (1.00   0.02   0.02) =   0.000%
    Distance limit 5.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 102 (8.76, 6.86, 131.77 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.5, residual support = 74.2:
          HN    PHE   45 - QD    PHE   45   2.31 +/- 0.73  87.459% * 56.1290% (0.45   5.62  80.15) =  90.069%  kept
          HN    ASP-  44 - QD    PHE   45   4.25 +/- 0.63  12.486% * 43.3484% (0.45   4.34  19.74) =   9.931%  kept
          HN    ALA  110 - QD    PHE   45  10.17 +/- 2.02   0.035% *  0.3058% (0.69   0.02   0.02) =   0.000%
          HN    GLU-  25 - QD    PHE   45  11.29 +/- 1.26   0.020% *  0.2167% (0.49   0.02   0.02) =   0.000%
    Distance limit 5.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 103 (6.68, 6.38, 129.17 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 80.2:
      O   QE    PHE   45 - HZ    PHE   45   2.18 +/- 0.00  99.995% * 99.7606% (0.98  10.0   1.00  80.15) = 100.000%  kept
          QD    PHE   72 - HZ    PHE   45  11.82 +/- 1.20   0.005% *  0.1766% (0.87   1.0   0.02   0.02) =   0.000%
          HD22  ASN   69 - HZ    PHE   45  20.07 +/- 1.81   0.000% *  0.0628% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 104 (6.61, 7.35, 128.88 ppm):
    3 chemical-shift based assignments, quality = 0.532, support = 4.63, residual support = 65.2:
          HN    TRP   49 - HD1   TRP   49   2.65 +/- 0.62  84.971% * 33.5718% (0.38   4.94  86.91) =  74.150%  kept
          HN    CYS   50 - HD1   TRP   49   4.33 +/- 1.52  15.020% * 66.2085% (0.98   3.73   3.09) =  25.850%  kept
          HN    VAL   83 - HD1   TRP   49  15.30 +/- 2.36   0.009% *  0.2197% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 105 (11.09, 7.35, 128.88 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 2.3, residual support = 86.9:
      O   HE1   TRP   49 - HD1   TRP   49   2.64 +/- 0.00 100.000% *100.0000% (0.84  10.0   2.30  86.91) = 100.000%  kept
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 107 (7.16, 7.49, 115.54 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 1.0, residual support = 86.9:
      O   HH2   TRP   49 - HZ2   TRP   49   2.52 +/- 0.00  99.978% * 99.8040% (0.41  10.0   1.00  86.91) = 100.000%  kept
          QD    PHE   97 - HZ2   TRP   49  17.82 +/- 3.92   0.020% *  0.0749% (0.15   1.0   0.02   0.02) =   0.000%
          HE21  GLN   30 - HZ2   TRP   49  23.36 +/- 3.72   0.002% *  0.1211% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (11.08, 7.49, 115.54 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 1.0, residual support = 86.9:
      O   HE1   TRP   49 - HZ2   TRP   49   2.85 +/- 0.00 100.000% *100.0000% (0.53  10.0   1.00  86.91) = 100.000%  kept
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 109 (7.49, 7.18, 125.21 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 86.9:
      O   HZ2   TRP   49 - HH2   TRP   49   2.52 +/- 0.00 100.000% * 99.8708% (1.00  10.0   1.00  86.91) = 100.000%  kept
          HN    LYS+ 121 - HH2   TRP   49  24.01 +/- 2.84   0.000% *  0.1292% (0.65   1.0   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.907, support = 1.44, residual support = 7.47:
          QD1   ILE   89 - HZ    PHE   45   4.95 +/- 2.17  48.595% * 54.1308% (0.84   1.67  12.18) =  53.857%  kept
          QG2   VAL   83 - HZ    PHE   45   4.19 +/- 1.18  49.786% * 45.2480% (0.99   1.18   1.98) =  46.123%  kept
          QD2   LEU   31 - HZ    PHE   45   8.36 +/- 1.43   1.618% *  0.6211% (0.80   0.02   0.02) =   0.021%
    Distance limit 5.02 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 = 4.67, residual support = 86.9:
      O T HB2   TRP   49 - HD1   TRP   49   3.82 +/- 0.08  98.187% * 99.5547% (0.65  10.0 10.00   4.67  86.91) =  99.999%  kept
          HA    ALA   84 - HD1   TRP   49  12.13 +/- 2.12   1.316% *  0.0690% (0.45   1.0  1.00   0.02   0.02) =   0.001%
          HA2   GLY  109 - HD1   TRP   49  15.33 +/- 3.92   0.357% *  0.0428% (0.28   1.0  1.00   0.02   0.02) =   0.000%
          HA    VAL   75 - HD1   TRP   49  13.74 +/- 2.45   0.109% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.000%
          HD3   PRO   58 - HD1   TRP   49  16.01 +/- 1.73   0.024% *  0.0475% (0.31   1.0  1.00   0.02   0.02) =   0.000%
          HA    ILE  119 - HD1   TRP   49  22.88 +/- 2.61   0.003% *  0.1117% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HA    THR  118 - HD1   TRP   49  23.65 +/- 3.30   0.004% *  0.0871% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 112 (3.15, 7.35, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.67, residual support = 86.9:
      O T HB3   TRP   49 - HD1   TRP   49   2.96 +/- 0.34  99.993% * 99.9191% (0.90  10.0 10.00   4.67  86.91) = 100.000%  kept
          HB3   PHE   59 - HD1   TRP   49  17.69 +/- 1.96   0.007% *  0.0809% (0.73   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 113 (0.38, 7.35, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 2.59, residual support = 14.7:
          QB    ALA   47 - HD1   TRP   49   3.28 +/- 1.18  99.579% * 98.5883% (0.84   2.59  14.66) =  99.997%  kept
          QG1   VAL   42 - HD1   TRP   49  15.88 +/- 2.44   0.367% *  0.6614% (0.73   0.02   0.02) =   0.002%
          QB    ALA   64 - HD1   TRP   49  17.30 +/- 2.08   0.046% *  0.4084% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HD1   TRP   49  18.49 +/- 3.05   0.008% *  0.3419% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 118 (1.84, 7.49, 115.54 ppm):
    13 chemical-shift based assignments, quality = 0.728, support = 0.664, residual support = 1.92:
          HB3   PRO   52 - HZ2   TRP   49   8.80 +/- 3.57  37.588% * 56.4030% (0.87  1.00   0.75   2.70) =  66.942%  kept
          HB3   GLN   90 - HZ2   TRP   49   8.16 +/- 4.76  54.066% * 19.1935% (0.45  1.00   0.49   0.34) =  32.767%  kept
          HG2   ARG+  54 - HZ2   TRP   49  11.70 +/- 2.46   5.046% *  1.1911% (0.69  1.00   0.02   0.02) =   0.190%
          HB    ILE  103 - HZ2   TRP   49  22.11 +/- 4.92   1.243% *  1.2591% (0.73  1.00   0.02   0.02) =   0.049%
          HB3   ASP- 105 - HZ2   TRP   49  21.25 +/- 4.28   0.307% *  1.1217% (0.65  1.00   0.02   0.02) =   0.011%
          QB    LYS+  81 - HZ2   TRP   49  13.57 +/- 3.57   0.526% *  0.6508% (0.38  1.00   0.02   0.02) =   0.011%
          HB    VAL   41 - HZ2   TRP   49  22.02 +/- 4.46   0.439% *  0.7774% (0.45  1.00   0.02   0.02) =   0.011%
          QB    LYS+ 106 - HZ2   TRP   49  14.96 +/- 2.72   0.522% *  0.5915% (0.34  1.00   0.02   0.02) =   0.010%
          HG12  ILE  103 - HZ2   TRP   49  21.23 +/- 4.55   0.213% *  1.0517% (0.61  1.00   0.02   0.02) =   0.007%
        T HG    LEU  123 - HZ2   TRP   49  27.58 +/- 3.43   0.004% * 15.0408% (0.87 10.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HZ2   TRP   49  22.48 +/- 2.99   0.030% *  0.4821% (0.28  1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   49  28.56 +/- 4.25   0.007% *  1.3251% (0.76  1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   49  25.65 +/- 3.03   0.010% *  0.9123% (0.53  1.00   0.02   0.02) =   0.000%
    Distance limit 4.82 A violated in 1 structures by 0.52 A, kept.
 
    Peak 119 (0.38, 7.49, 115.54 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 2.03, residual support = 14.7:
          QB    ALA   47 - HZ2   TRP   49   4.44 +/- 1.14  94.864% * 98.0050% (0.69   2.03  14.66) =  99.956%  kept
          QG1   VAL   42 - HZ2   TRP   49  15.30 +/- 3.16   5.033% *  0.7943% (0.57   0.02   0.02) =   0.043%
          QB    ALA   64 - HZ2   TRP   49  17.56 +/- 2.63   0.033% *  0.8509% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HZ2   TRP   49  17.44 +/- 3.40   0.070% *  0.3498% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.74 A violated in 1 structures by 0.23 A, kept.
 
    Peak 120 (2.30, 7.18, 125.21 ppm):
    10 chemical-shift based assignments, quality = 0.385, support = 0.687, residual support = 2.47:
          HG2   PRO   52 - HH2   TRP   49   6.84 +/- 2.89  40.007% * 73.0242% (0.34   0.75   2.70) =  91.346%  kept
          HG2   MET   92 - HH2   TRP   49   7.02 +/- 4.31  54.518% *  4.9520% (0.87   0.02   0.02) =   8.441%  kept
          HB2   ASP-  44 - HH2   TRP   49  15.46 +/- 3.06   4.984% *  0.9998% (0.18   0.02   0.02) =   0.156%
          QG    GLU- 114 - HH2   TRP   49  15.07 +/- 2.35   0.218% *  4.5712% (0.80   0.02   0.02) =   0.031%
          HB2   GLU-  79 - HH2   TRP   49  16.29 +/- 3.17   0.155% *  4.1454% (0.73   0.02   0.02) =   0.020%
          QB    MET   11 - HH2   TRP   49  34.35 +/- 5.63   0.016% *  3.9214% (0.69   0.02   0.02) =   0.002%
          QG    GLU-  15 - HH2   TRP   49  26.12 +/- 4.00   0.038% *  1.4235% (0.25   0.02   0.02) =   0.002%
          QG    GLU-  14 - HH2   TRP   49  26.46 +/- 4.38   0.054% *  0.8808% (0.15   0.02   0.02) =   0.001%
          HG3   GLU-  25 - HH2   TRP   49  25.48 +/- 3.00   0.007% *  1.1298% (0.20   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HH2   TRP   49  34.46 +/- 4.26   0.002% *  4.9520% (0.87   0.02   0.02) =   0.000%
    Distance limit 5.13 A violated in 1 structures by 0.49 A, kept.
 
    Peak 121 (1.84, 7.18, 125.21 ppm):
    13 chemical-shift based assignments, quality = 0.788, support = 1.75, residual support = 2.26:
          HB3   PRO   52 - HH2   TRP   49   8.15 +/- 3.34  39.820% * 80.3704% (0.87   2.00   2.70) =  81.225%  kept
          HB3   GLN   90 - HH2   TRP   49   9.06 +/- 5.41  53.272% * 13.8229% (0.45   0.67   0.34) =  18.689%  kept
          HB    VAL   41 - HH2   TRP   49  22.68 +/- 4.96   3.680% *  0.4154% (0.45   0.02   0.02) =   0.039%
          HG2   ARG+  54 - HH2   TRP   49  11.46 +/- 2.07   1.851% *  0.6364% (0.69   0.02   0.02) =   0.030%
          HB    ILE  103 - HH2   TRP   49  22.57 +/- 4.72   0.332% *  0.6728% (0.73   0.02   0.02) =   0.006%
          HB3   ASP- 105 - HH2   TRP   49  21.34 +/- 3.97   0.219% *  0.5994% (0.65   0.02   0.02) =   0.003%
          QB    LYS+  81 - HH2   TRP   49  15.00 +/- 3.62   0.327% *  0.3477% (0.38   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HH2   TRP   49  15.22 +/- 2.51   0.283% *  0.3160% (0.34   0.02   0.02) =   0.002%
          HG12  ILE  103 - HH2   TRP   49  21.82 +/- 4.45   0.123% *  0.5620% (0.61   0.02   0.02) =   0.002%
          QB    LYS+  33 - HH2   TRP   49  26.48 +/- 3.60   0.026% *  0.4875% (0.53   0.02   0.02) =   0.000%
          QB    LYS+  66 - HH2   TRP   49  22.53 +/- 3.02   0.045% *  0.2576% (0.28   0.02   0.02) =   0.000%
          HG3   PRO   68 - HH2   TRP   49  28.72 +/- 4.38   0.016% *  0.7081% (0.76   0.02   0.02) =   0.000%
          HG    LEU  123 - HH2   TRP   49  27.34 +/- 3.22   0.005% *  0.8037% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.87 A violated in 1 structures by 0.56 A, kept.
 
    Peak 122 (3.36, 7.32, 132.31 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 2.22, residual support = 20.3:
      O   QB    PHE   55 - QD    PHE   55   2.16 +/- 0.03  99.602% * 99.2903% (0.25  10.0   2.22  20.31) =  99.999%  kept
          HD2   ARG+  54 - QD    PHE   55   6.65 +/- 1.13   0.243% *  0.2415% (0.61   1.0   0.02   3.49) =   0.001%
          HB3   CYS   53 - QD    PHE   55   7.80 +/- 0.88   0.091% *  0.2095% (0.53   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - QD    PHE   55   9.25 +/- 3.28   0.064% *  0.1358% (0.34   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   55  18.44 +/- 2.10   0.000% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 123 (4.46, 7.32, 132.31 ppm):
    6 chemical-shift based assignments, quality = 0.838, support = 2.0, residual support = 20.0:
          HA    PHE   55 - QD    PHE   55   2.79 +/- 0.42  97.751% * 55.2245% (0.84   2.01  20.31) =  98.295%  kept
          HA    ALA  110 - QD    PHE   55   7.81 +/- 3.81   2.147% * 43.6046% (1.00   1.33   0.16) =   1.704%  kept
          HA    VAL  107 - QD    PHE   55  11.24 +/- 1.53   0.074% *  0.2246% (0.34   0.02   0.02) =   0.000%
          HA    GLN   90 - QD    PHE   55  16.40 +/- 2.47   0.006% *  0.6355% (0.97   0.02   0.02) =   0.000%
          HA    ALA   91 - QD    PHE   55  14.05 +/- 2.42   0.016% *  0.1466% (0.22   0.02   0.02) =   0.000%
          HA    VAL   42 - QD    PHE   55  16.93 +/- 1.96   0.007% *  0.1642% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.66 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 = 0.599, support = 1.2, residual support = 2.07:
          QB    ALA  110 - QD    PHE   55   6.30 +/- 3.56  64.986% * 18.3791% (0.80  1.00   0.34   0.16) =  52.526%  kept
          HB3   LEU  115 - QD    PHE   55   7.33 +/- 1.69  19.088% * 50.0160% (0.31  1.00   2.42   4.72) =  41.985%  kept
          QB    ALA   61 - QD    PHE   55   8.95 +/- 1.37  12.567% *  9.2155% (0.97  1.00   0.14   0.02) =   5.093%  kept
        T QG    LYS+  66 - QD    PHE   55  13.50 +/- 1.04   0.584% * 12.6631% (0.95 10.00   0.02   0.02) =   0.325%
          HG    LEU   40 - QD    PHE   55  19.45 +/- 2.46   1.352% *  0.4132% (0.31  1.00   0.02   0.02) =   0.025%
        T HG    LEU   67 - QD    PHE   55  18.43 +/- 2.19   0.099% *  2.9803% (0.22 10.00   0.02   0.02) =   0.013%
          HG2   LYS+ 102 - QD    PHE   55  24.99 +/- 3.30   0.178% *  0.9195% (0.69  1.00   0.02   0.02) =   0.007%
          HD3   LYS+ 121 - QD    PHE   55  16.17 +/- 1.40   0.599% *  0.2649% (0.20  1.00   0.02   0.02) =   0.007%
          HB3   LEU   67 - QD    PHE   55  18.47 +/- 1.90   0.104% *  1.3387% (1.00  1.00   0.02   0.02) =   0.006%
          HG    LEU   73 - QD    PHE   55  19.16 +/- 1.77   0.113% *  1.0719% (0.80  1.00   0.02   0.02) =   0.005%
          HG    LEU   80 - QD    PHE   55  21.05 +/- 2.09   0.056% *  1.1181% (0.84  1.00   0.02   0.02) =   0.003%
          HG12  ILE   19 - QD    PHE   55  20.99 +/- 1.90   0.049% *  0.9721% (0.73  1.00   0.02   0.02) =   0.002%
          HB3   LYS+  74 - QD    PHE   55  16.43 +/- 2.11   0.173% *  0.2344% (0.18  1.00   0.02   0.02) =   0.002%
          HB2   LEU   80 - QD    PHE   55  20.32 +/- 2.23   0.051% *  0.4132% (0.31  1.00   0.02   0.02) =   0.001%
    Distance limit 4.55 A violated in 4 structures by 0.63 A, kept.
 
    Peak 125 (0.58, 7.32, 132.31 ppm):
    7 chemical-shift based assignments, quality = 0.865, support = 1.9, residual support = 4.71:
          QD2   LEU  115 - QD    PHE   55   6.32 +/- 1.08  83.023% * 87.5957% (0.87  1.00   1.90   4.72) =  99.763%  kept
          QD1   LEU   63 - QD    PHE   55   9.67 +/- 1.08   9.325% *  1.0598% (1.00  1.00   0.02   0.02) =   0.136%
        T QD2   LEU   80 - QD    PHE   55  17.13 +/- 1.57   0.341% *  8.8716% (0.84 10.00   0.02   0.02) =   0.041%
          QD2   LEU   63 - QD    PHE   55  11.11 +/- 1.29   3.960% *  0.5588% (0.53  1.00   0.02   0.02) =   0.030%
          QD1   LEU  104 - QD    PHE   55  16.89 +/- 2.59   2.756% *  0.6442% (0.61  1.00   0.02   0.02) =   0.024%
          QD1   LEU   73 - QD    PHE   55  17.12 +/- 1.43   0.313% *  1.0598% (1.00  1.00   0.02   0.02) =   0.005%
          QG1   VAL   83 - QD    PHE   55  17.31 +/- 1.42   0.283% *  0.2102% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.74 A violated in 14 structures by 1.62 A, kept.
 
    Peak 126 (3.16, 7.33, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.99, support = 0.02, residual support = 0.02:
          HB3   PHE   59 - QE    PHE   95   4.61 +/- 1.64  99.740% * 72.5341% (0.99   0.02   0.02) =  99.901%  kept
          HB3   TRP   49 - QE    PHE   95  14.93 +/- 1.69   0.260% * 27.4659% (0.38   0.02   0.02) =   0.099%
    Distance limit 4.68 A violated in 3 structures by 0.56 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 = 0.324, support = 2.46, residual support = 38.8:
          HB    VAL  107 - QE    PHE   95   4.73 +/- 0.80  72.891% * 31.1132% (0.28  1.00   2.86  45.52) =  84.967%  kept
        T HB3   ASP-  62 - QE    PHE   95   7.57 +/- 0.95   6.299% * 44.1002% (0.57 10.00   0.20   0.02) =  10.408%  kept
        T QE    LYS+ 112 - QE    PHE   95   7.71 +/- 2.74  14.639% *  5.3776% (0.69 10.00   0.02   0.02) =   2.949%  kept
          HB3   PHE   45 - QE    PHE   95   7.90 +/- 1.02   4.924% *  6.3336% (0.69  1.00   0.24   1.89) =   1.168%  kept
          HG3   MET   96 - QE    PHE   95   9.55 +/- 0.67   1.166% * 11.5538% (0.20  1.00   1.49  11.99) =   0.505%  kept
          HB3   ASP-  86 - QE    PHE   95  15.86 +/- 1.75   0.064% *  0.7406% (0.95  1.00   0.02   0.02) =   0.002%
          HG2   GLU-  29 - QE    PHE   95  19.83 +/- 1.53   0.018% *  0.7811% (1.00  1.00   0.02   0.02) =   0.001%
    Distance limit 5.25 A violated in 0 structures by 0.01 A, kept.
 
    Peak 129 (1.70, 7.33, 131.79 ppm):
    10 chemical-shift based assignments, quality = 0.544, support = 0.686, residual support = 0.95:
          QG1   ILE   56 - QE    PHE   95   3.21 +/- 2.38  87.084% * 39.5639% (0.53   0.70   0.99) =  95.495%  kept
          QD    LYS+ 106 - QE    PHE   95   9.38 +/- 0.89   2.981% * 50.0273% (1.00   0.47   0.02) =   4.133%  kept
          HB3   MET   92 - QE    PHE   95   8.41 +/- 1.33   2.038% *  1.7253% (0.80   0.02   0.02) =   0.097%
          HB2   LEU   73 - QE    PHE   95   9.72 +/- 1.31   1.654% *  1.9890% (0.92   0.02   0.02) =   0.091%
          HG3   PRO   93 - QE    PHE   95   6.54 +/- 1.49   3.277% *  0.8086% (0.38   0.02   0.02) =   0.073%
          QD    LYS+  99 - QE    PHE   95  13.68 +/- 1.43   0.695% *  2.1546% (1.00   0.02   0.02) =   0.041%
          HD2   LYS+ 111 - QE    PHE   95  10.69 +/- 1.54   0.901% *  1.4800% (0.69   0.02   0.02) =   0.037%
          HB3   LYS+  99 - QE    PHE   95  14.21 +/- 1.68   0.970% *  0.8858% (0.41   0.02   0.02) =   0.024%
          HB2   LEU  123 - QE    PHE   95  13.22 +/- 1.33   0.234% *  0.8858% (0.41   0.02   0.02) =   0.006%
          QD    LYS+ 102 - QE    PHE   95  16.00 +/- 1.69   0.166% *  0.4797% (0.22   0.02   0.02) =   0.002%
    Distance limit 5.08 A violated in 2 structures by 0.24 A, kept.
 
    Peak 130 (1.17, 7.33, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.679, support = 2.59, residual support = 44.8:
          QG2   VAL  107 - QE    PHE   95   3.68 +/- 0.95  90.241% * 73.0951% (0.69  1.00   2.61  45.52) =  97.754%  kept
          QG2   THR   94 - QE    PHE   95   6.08 +/- 0.55   6.201% * 24.1643% (0.34  1.00   1.74  14.60) =   2.221%  kept
          HB3   LYS+ 112 - QE    PHE   95   9.61 +/- 1.98   1.718% *  0.3057% (0.38  1.00   0.02   0.02) =   0.008%
          HG2   LYS+ 121 - QE    PHE   95  12.48 +/- 1.84   1.096% *  0.3652% (0.45  1.00   0.02   0.02) =   0.006%
        T QB    ALA   20 - QE    PHE   95  10.58 +/- 1.22   0.309% *  1.2569% (0.15 10.00   0.02   0.02) =   0.006%
          HG13  ILE  103 - QE    PHE   95  11.87 +/- 1.31   0.436% *  0.8128% (1.00  1.00   0.02   0.02) =   0.005%
    Distance limit 5.14 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 = 0.946, support = 1.09, residual support = 3.59:
          QD1   LEU   63 - QE    PHE   95   3.89 +/- 1.39  69.270% * 34.2820% (1.00  1.00   0.96   3.79) =  69.499%  kept
          QD2   LEU  115 - QE    PHE   95   5.42 +/- 1.00  19.789% * 46.5904% (0.87  1.00   1.50   3.07) =  26.983%  kept
          QD2   LEU   63 - QE    PHE   95   5.61 +/- 1.27  10.019% * 11.8551% (0.53  1.00   0.63   3.79) =   3.476%  kept
        T QD2   LEU   80 - QE    PHE   95  11.58 +/- 2.49   0.175% *  5.9818% (0.84 10.00   0.02   0.02) =   0.031%
          QD1   LEU   73 - QE    PHE   95   9.38 +/- 1.05   0.389% *  0.7146% (1.00  1.00   0.02   0.02) =   0.008%
          QD1   LEU  104 - QE    PHE   95  10.84 +/- 1.52   0.171% *  0.4344% (0.61  1.00   0.02   0.02) =   0.002%
          QG1   VAL   83 - QE    PHE   95  11.49 +/- 1.73   0.186% *  0.1417% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 132 (0.41, 7.33, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.342, support = 1.28, residual support = 3.05:
        T QD1   LEU  115 - QE    PHE   95   4.04 +/- 1.82  77.593% * 97.4146% (0.34 10.00   1.29   3.07) =  99.432%  kept
          QB    ALA   64 - QE    PHE   95   6.23 +/- 1.18  17.117% *  2.4977% (0.57  1.00   0.20   0.02) =   0.562%  kept
          QG1   VAL   75 - QE    PHE   95   8.36 +/- 1.64   5.290% *  0.0877% (0.20  1.00   0.02   0.02) =   0.006%
    Distance limit 4.72 A violated in 1 structures by 0.10 A, kept.
 
    Peak 133 (7.62, 7.29, 132.36 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 1.13, residual support = 72.0:
      O   QE    PHE   60 - QD    PHE   60   2.23 +/- 0.00  99.162% * 99.6232% (0.84  10.0   1.13  72.03) = 100.000%  kept
          HN    LEU   63 - QD    PHE   60   5.06 +/- 0.39   0.835% *  0.0327% (0.15   1.0   0.02  12.02) =   0.000%
          HZ2   TRP   87 - QD    PHE   60  14.16 +/- 1.46   0.002% *  0.1901% (0.90   1.0   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD    PHE   60  15.94 +/- 1.41   0.001% *  0.1539% (0.73   1.0   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 134 (2.96, 7.29, 132.36 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 3.81, residual support = 72.0:
      O T HB3   PHE   60 - QD    PHE   60   2.61 +/- 0.14  99.809% * 99.7227% (0.73  10.0 10.00   3.81  72.03) = 100.000%  kept
          QE    LYS+  65 - QD    PHE   60   8.16 +/- 1.03   0.138% *  0.0241% (0.18   1.0  1.00   0.02   0.02) =   0.000%
          QE    LYS+ 106 - QD    PHE   60  12.70 +/- 1.05   0.009% *  0.0723% (0.53   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    PHE   60  10.77 +/- 1.28   0.031% *  0.0212% (0.15   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   60  12.45 +/- 1.46   0.011% *  0.0186% (0.14   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    PHE   60  16.24 +/- 1.38   0.002% *  0.0468% (0.34   1.0  1.00   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    PHE   60  19.28 +/- 1.74   0.001% *  0.0943% (0.69   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 138 (0.79, 7.29, 132.36 ppm):
    5 chemical-shift based assignments, quality = 0.95, support = 1.3, residual support = 3.62:
          QD1   ILE   56 - QD    PHE   60   5.70 +/- 1.65  72.741% * 47.2538% (0.99  1.00   1.21   4.31) =  73.858%  kept
          QD2   LEU   73 - QD    PHE   60   7.73 +/- 1.07  24.120% * 50.2906% (0.84  1.00   1.53   1.67) =  26.065%  kept
        T QG1   VAL   41 - QD    PHE   60  11.38 +/- 1.04   2.246% *  1.3761% (0.18 10.00   0.02   0.02) =   0.066%
          HG3   LYS+ 121 - QD    PHE   60  14.33 +/- 1.21   0.450% *  0.5397% (0.69  1.00   0.02   0.02) =   0.005%
          HG    LEU   31 - QD    PHE   60  14.72 +/- 1.36   0.442% *  0.5397% (0.69  1.00   0.02   0.02) =   0.005%
    Distance limit 4.27 A violated in 11 structures by 1.25 A, kept.
 
    Peak 139 (0.40, 7.29, 132.36 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 1.76, residual support = 2.74:
          QB    ALA   64 - QD    PHE   60   3.66 +/- 1.15 100.000% *100.0000% (0.95   1.76   2.74) = 100.000%  kept
    Distance limit 4.20 A violated in 3 structures by 0.28 A, kept.
 
    Peak 140 (8.40, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.11, residual support = 62.7:
          HN    PHE   97 - QD    PHE   97   3.08 +/- 0.71  99.899% * 99.3293% (0.97   4.11  62.71) = 100.000%  kept
          HN    LEU  115 - QD    PHE   97  10.99 +/- 1.10   0.083% *  0.4837% (0.97   0.02   0.02) =   0.000%
          HN    ASP- 113 - QD    PHE   97  14.30 +/- 0.96   0.017% *  0.0992% (0.20   0.02   0.02) =   0.000%
          HN    ALA   12 - QD    PHE   97  22.76 +/- 2.59   0.001% *  0.0878% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.97 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 = 0.667, support = 0.0199, residual support = 0.0199:
          HA    THR  118 - QD    PHE   97   7.05 +/- 1.64  51.907% * 16.5844% (0.61   0.02   0.02) =  48.741%  kept
          HA    ILE  119 - QD    PHE   97   7.55 +/- 1.94  39.726% * 20.8964% (0.76   0.02   0.02) =  47.003%  kept
          HD3   PRO   58 - QD    PHE   97  12.90 +/- 2.32   5.754% *  7.6024% (0.28   0.02   0.02) =   2.477%  kept
          HA    VAL   75 - QD    PHE   97  13.66 +/- 1.13   0.877% * 14.3858% (0.53   0.02   0.02) =   0.714%  kept
          HA2   GLY  109 - QD    PHE   97  13.37 +/- 0.85   1.122% *  8.4394% (0.31   0.02   0.02) =   0.536%  kept
          HA    ALA   84 - QD    PHE   97  16.22 +/- 1.53   0.403% * 13.3093% (0.49   0.02   0.02) =   0.303%
          HB2   TRP   49 - QD    PHE   97  20.47 +/- 3.01   0.212% * 18.7822% (0.69   0.02   0.02) =   0.225%
    Distance limit 4.57 A violated in 15 structures by 1.39 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 = 62.7:
      O T HB2   PHE   97 - QD    PHE   97   2.54 +/- 0.14  98.352% * 99.6874% (0.90  10.0 10.00   2.44  62.71) =  99.999%  kept
          QE    LYS+ 106 - QD    PHE   97   6.35 +/- 1.03   0.796% *  0.1051% (0.95   1.0  1.00   0.02   8.66) =   0.001%
          QE    LYS+  99 - QD    PHE   97   6.36 +/- 1.21   0.770% *  0.0220% (0.20   1.0  1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    PHE   97   9.87 +/- 2.12   0.072% *  0.0890% (0.80   1.0  1.00   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   97  12.65 +/- 1.32   0.009% *  0.0964% (0.87   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 143 (2.36, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.74, residual support = 62.7:
      O T HB3   PHE   97 - QD    PHE   97   2.42 +/- 0.18  99.961% * 99.7112% (1.00  10.0 10.00   2.74  62.71) = 100.000%  kept
          HB2   GLU- 100 - QD    PHE   97  10.65 +/- 1.18   0.019% *  0.0894% (0.90   1.0  1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD    PHE   97  13.41 +/- 2.43   0.013% *  0.0724% (0.73   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - QD    PHE   97  12.67 +/- 1.10   0.006% *  0.0962% (0.97   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD    PHE   97  17.66 +/- 1.77   0.001% *  0.0308% (0.31   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 0.832, support = 0.981, residual support = 2.46:
          QG1   VAL  107 - QD    PHE   97   5.66 +/- 0.98  89.147% * 88.4406% (0.84   0.99   2.48) =  99.318%  kept
          HG13  ILE  119 - QD    PHE   97   9.00 +/- 1.88   7.794% *  6.3497% (0.41   0.14   0.02) =   0.623%  kept
          QG1   VAL   24 - QD    PHE   97  12.68 +/- 1.56   1.149% *  2.1452% (1.00   0.02   0.02) =   0.031%
          HB3   LEU   31 - QD    PHE   97  11.90 +/- 0.71   1.597% *  0.9618% (0.45   0.02   0.02) =   0.019%
          HD3   LYS+ 112 - QD    PHE   97  15.27 +/- 1.66   0.314% *  2.1027% (0.98   0.02   0.02) =   0.008%
    Distance limit 4.29 A violated in 11 structures by 1.28 A, kept.
 
    Peak 145 (1.02, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.686, support = 3.28, residual support = 17.7:
          HB2   LEU  104 - QD    PHE   97   3.92 +/- 0.86  90.695% * 88.9950% (0.69   3.30  17.83) =  99.379%  kept
          QG2   VAL  108 - QD    PHE   97   7.45 +/- 0.93   4.821% *  9.7854% (0.53   0.47   0.02) =   0.581%  kept
          QD1   ILE  119 - QD    PHE   97   8.23 +/- 1.60   4.248% *  0.7431% (0.95   0.02   0.02) =   0.039%
          HB    VAL   75 - QD    PHE   97  11.96 +/- 1.48   0.236% *  0.4765% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.46 A violated in 0 structures by 0.07 A, kept.
 
    Peak 146 (0.20, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.288, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - QD    PHE   97   4.59 +/- 1.80  49.840% * 63.2846% (0.34   0.02   0.02) =  63.136%  kept
          QG2   THR  118 - QD    PHE   97   4.47 +/- 1.31  50.160% * 36.7154% (0.20   0.02   0.02) =  36.864%  kept
    Distance limit 4.61 A violated in 2 structures by 0.16 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 = 0.985, support = 0.02, residual support = 0.02:
          QB    ALA   64 - QD    PHE   97   8.58 +/- 1.48  90.449% * 85.0969% (1.00   0.02   0.02) =  98.184%  kept
          QB    ALA   47 - QD    PHE   97  13.61 +/- 1.80   9.551% * 14.9031% (0.18   0.02   0.02) =   1.816%  kept
    Distance limit 4.97 A violated in 20 structures by 3.43 A, eliminated.
    Peak unassigned.
 
    Peak 148 (8.40, 7.19, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 2.96, residual support = 29.1:
          HN    LEU  115 - QD    PHE   59   5.52 +/- 0.61  87.016% * 99.0724% (0.97   2.96  29.11) =  99.950%  kept
          HN    PHE   97 - QD    PHE   59   9.75 +/- 1.58   4.817% *  0.6690% (0.97   0.02   0.02) =   0.037%
          HN    ASP- 113 - QD    PHE   59   8.49 +/- 0.66   8.154% *  0.1372% (0.20   0.02   0.02) =   0.013%
          HN    ALA   12 - QD    PHE   59  24.51 +/- 1.83   0.013% *  0.1214% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.18 A violated in 5 structures by 0.44 A, kept.
 
    Peak 149 (4.37, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.607, support = 3.01, residual support = 58.2:
          HA    PHE   59 - QD    PHE   59   2.58 +/- 0.53  94.240% * 78.1147% (0.61   3.04  58.77) =  98.561%  kept
          HA    ILE   56 - QD    PHE   59   5.08 +/- 1.09   5.571% * 19.2703% (0.61   0.75  20.70) =   1.437%  kept
          HA    ASP- 113 - QD    PHE   59   8.40 +/- 0.61   0.140% *  0.8454% (1.00   0.02   0.02) =   0.002%
          HA    LEU  123 - QD    PHE   59   9.92 +/- 0.72   0.042% *  0.4124% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD    PHE   59  14.99 +/- 1.43   0.004% *  0.6784% (0.80   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    PHE   59  20.39 +/- 1.56   0.001% *  0.5481% (0.65   0.02   0.02) =   0.000%
          HA    TRP   87 - QD    PHE   59  17.48 +/- 1.59   0.002% *  0.1307% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 150 (3.69, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.996, support = 2.22, residual support = 20.3:
        T HA    ILE  119 - QD    PHE   59   4.21 +/- 0.90  93.392% * 56.1012% (1.00 10.00   2.25  20.77) =  95.743%  kept
        T HA    THR  118 - QD    PHE   59   6.86 +/- 0.96   5.324% * 43.7452% (0.95 10.00   1.64  10.14) =   4.256%  kept
          HA2   GLY  109 - QD    PHE   59  10.17 +/- 0.74   0.862% *  0.0386% (0.69  1.00   0.02   0.02) =   0.001%
          HA    VAL   75 - QD    PHE   59  13.85 +/- 1.94   0.344% *  0.0111% (0.20  1.00   0.02   0.02) =   0.000%
          HB2   TRP   49 - QD    PHE   59  16.33 +/- 1.27   0.044% *  0.0551% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA   84 - QD    PHE   59  16.79 +/- 1.87   0.034% *  0.0488% (0.87  1.00   0.02   0.02) =   0.000%
    Distance limit 4.96 A violated in 1 structures by 0.15 A, kept.
 
    Peak 151 (3.32, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 2.74, residual support = 58.8:
      O   HB2   PHE   59 - QD    PHE   59   2.46 +/- 0.15  99.611% * 99.6982% (0.97  10.0   2.74  58.77) = 100.000%  kept
          QB    PHE   55 - QD    PHE   59   7.55 +/- 0.74   0.148% *  0.0789% (0.76   1.0   0.02   0.02) =   0.000%
          HD3   PRO   93 - QD    PHE   59  10.10 +/- 2.09   0.157% *  0.0668% (0.65   1.0   0.02   0.02) =   0.000%
          HB3   CYS   53 - QD    PHE   59   9.37 +/- 1.01   0.046% *  0.0463% (0.45   1.0   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   59  11.07 +/- 1.36   0.025% *  0.0710% (0.69   1.0   0.02   0.02) =   0.000%
          HD2   ARG+  54 - QD    PHE   59  12.04 +/- 1.45   0.013% *  0.0388% (0.38   1.0   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 152 (3.17, 7.19, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.17, residual support = 58.8:
      O   HB3   PHE   59 - QD    PHE   59   2.52 +/- 0.15  99.999% * 99.9680% (0.97  10.0   3.17  58.77) = 100.000%  kept
          HB3   TRP   49 - QD    PHE   59  16.90 +/- 1.20   0.001% *  0.0320% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 153 (2.35, 7.19, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.935, support = 2.82, residual support = 34.1:
          HB2   PRO   58 - QD    PHE   59   5.69 +/- 0.56  66.223% * 67.6972% (0.99   2.95  40.67) =  83.715%  kept
          HB2   GLN  116 - QD    PHE   59   6.79 +/- 0.66  27.537% * 31.5861% (0.65   2.11   0.32) =  16.242%  kept
          HB3   PHE   97 - QD    PHE   59   9.46 +/- 1.95   6.169% *  0.3704% (0.80   0.02   0.02) =   0.043%
          HB2   GLU- 100 - QD    PHE   59  18.77 +/- 1.41   0.057% *  0.2434% (0.53   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QD    PHE   59  23.97 +/- 1.75   0.014% *  0.1030% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.78 A violated in 1 structures by 0.58 A, kept.
 
    Peak 154 (1.72, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 1.97, residual support = 20.7:
        T QG1   ILE   56 - QD    PHE   59   3.46 +/- 0.63  99.292% * 99.7160% (0.97 10.00   1.97  20.70) = 100.000%  kept
          QD    LYS+ 106 - QD    PHE   59   9.72 +/- 1.37   0.519% *  0.0357% (0.34  1.00   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD    PHE   59  14.50 +/- 1.20   0.032% *  0.1045% (1.00  1.00   0.02   0.02) =   0.000%
          HB    ILE   89 - QD    PHE   59  15.40 +/- 1.83   0.028% *  0.0838% (0.80  1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD    PHE   59  13.51 +/- 1.29   0.049% *  0.0393% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD    PHE   59  13.01 +/- 1.94   0.081% *  0.0207% (0.20  1.00   0.02   0.02) =   0.000%
    Distance limit 4.83 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 = 0.467, support = 2.54, residual support = 29.1:
          HB3   LEU  115 - QD    PHE   59   3.36 +/- 1.02  33.848% * 71.5368% (0.65   2.31  29.11) =  63.571%  kept
          HG    LEU  115 - QD    PHE   59   2.76 +/- 1.01  63.950% * 21.6767% (0.15   2.93  29.11) =  36.394%  kept
          QB    ALA   61 - QD    PHE   59   6.32 +/- 0.36   1.189% *  0.6577% (0.69   0.02   0.49) =   0.021%
          QG    LYS+  66 - QD    PHE   59   7.33 +/- 1.28   0.371% *  0.9240% (0.97   0.02   0.02) =   0.009%
          QB    ALA  110 - QD    PHE   59   7.83 +/- 1.51   0.243% *  0.4293% (0.45   0.02   0.02) =   0.003%
          QB    ALA  120 - QD    PHE   59   7.36 +/- 0.46   0.327% *  0.1477% (0.15   0.02   0.02) =   0.001%
          HG    LEU   67 - QD    PHE   59  10.71 +/- 2.09   0.025% *  0.5038% (0.53   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    PHE   59  10.94 +/- 1.62   0.015% *  0.7998% (0.84   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    PHE   59  11.64 +/- 1.42   0.016% *  0.6194% (0.65   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    PHE   59  12.71 +/- 1.85   0.010% *  0.9554% (1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    PHE   59  15.18 +/- 1.59   0.003% *  0.3594% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    PHE   59  18.12 +/- 1.76   0.001% *  0.9240% (0.97   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    PHE   59  17.90 +/- 2.21   0.001% *  0.4661% (0.49   0.02   0.02) =   0.000%
    Distance limit 5.24 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 = 0.47, support = 2.51, residual support = 18.2:
        T HG13  ILE  119 - QD    PHE   59   2.69 +/- 0.67  75.824% * 63.3353% (0.41 10.00   2.82  20.77) =  86.102%  kept
        T QG1   VAL  107 - QD    PHE   59   3.73 +/- 0.99  21.348% * 36.2905% (0.84 10.00   0.56   2.53) =  13.890%  kept
          HD3   LYS+ 112 - QD    PHE   59   7.68 +/- 2.02   2.823% *  0.1510% (0.98  1.00   0.02   0.45) =   0.008%
          QG1   VAL   24 - QD    PHE   59  15.25 +/- 1.71   0.003% *  0.1541% (1.00  1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    PHE   59  18.30 +/- 1.64   0.001% *  0.0691% (0.45  1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 0.832, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - QD    PHE   59   8.91 +/- 1.14  53.439% * 60.0043% (0.98   0.02   0.02) =  76.375%  kept
          HG3   LYS+ 121 - QD    PHE   59   9.81 +/- 1.08  33.485% * 22.9752% (0.38   0.02   0.02) =  18.324%  kept
          HB3   LEU  104 - QD    PHE   59  11.85 +/- 1.57  13.076% * 17.0205% (0.28   0.02   0.02) =   5.301%  kept
    Distance limit 4.98 A violated in 20 structures by 2.89 A, eliminated.
    Peak unassigned.
 
    Peak 158 (0.59, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.972, support = 4.32, residual support = 25.4:
          QD2   LEU  115 - QD    PHE   59   2.61 +/- 0.72  55.066% * 80.2309% (0.98   4.79  29.11) =  86.845%  kept
          QD1   LEU   63 - QD    PHE   59   2.98 +/- 1.04  35.887% * 18.6181% (0.92   1.18   0.78) =  13.134%  kept
          QD2   LEU   63 - QD    PHE   59   4.28 +/- 1.31   9.025% *  0.1165% (0.34   0.02   0.78) =   0.021%
          QD1   LEU  104 - QD    PHE   59  10.73 +/- 1.26   0.011% *  0.2734% (0.80   0.02   0.02) =   0.000%
          QD1   LEU   73 - QD    PHE   59  11.94 +/- 1.58   0.006% *  0.3152% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD    PHE   59  14.29 +/- 1.86   0.002% *  0.3295% (0.97   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD    PHE   59  14.10 +/- 2.05   0.003% *  0.1165% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 159 (0.43, 7.19, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.56, residual support = 29.1:
        T QD1   LEU  115 - QD    PHE   59   2.77 +/- 0.77  98.697% * 99.9042% (0.84 10.00   4.56  29.11) = 100.000%  kept
          QB    ALA   64 - QD    PHE   59   6.95 +/- 0.69   1.226% *  0.0185% (0.15  1.00   0.02   0.02) =   0.000%
          QG1   VAL   75 - QD    PHE   59  11.13 +/- 1.84   0.077% *  0.0774% (0.65  1.00   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 160 (4.14, 7.26, 128.86 ppm):
    8 chemical-shift based assignments, quality = 0.725, support = 1.5, residual support = 29.1:
        T HA    LEU  115 - QE    PHE   59   3.35 +/- 1.08  96.929% * 91.8096% (0.73 10.00   1.50  29.11) =  99.844%  kept
          HA    GLU- 114 - QE    PHE   59   7.13 +/- 0.78   1.887% *  7.2650% (1.00  1.00   0.86   0.02) =   0.154%
        T HA    ARG+  54 - QE    PHE   59  11.12 +/- 1.90   0.591% *  0.3336% (0.20 10.00   0.02   0.02) =   0.002%
          HA    CYS   53 - QE    PHE   59   9.37 +/- 1.34   0.557% *  0.0295% (0.18  1.00   0.02   0.02) =   0.000%
          HA1   GLY  101 - QE    PHE   59  16.85 +/- 2.21   0.014% *  0.1652% (0.98  1.00   0.02   0.02) =   0.000%
          HA    ALA   34 - QE    PHE   59  17.15 +/- 2.18   0.012% *  0.1462% (0.87  1.00   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    PHE   59  18.67 +/- 2.44   0.007% *  0.1158% (0.69  1.00   0.02   0.02) =   0.000%
          HA    THR   26 - QE    PHE   59  20.44 +/- 2.25   0.004% *  0.1350% (0.80  1.00   0.02   0.02) =   0.000%
    Distance limit 4.76 A violated in 1 structures by 0.10 A, kept.
 
    Peak 161 (3.88, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 1.74, residual support = 10.1:
        T HB    THR  118 - QE    PHE   59   3.25 +/- 1.42  99.887% * 99.7282% (0.95 10.00   1.74  10.14) = 100.000%  kept
          HA    ILE   89 - QE    PHE   59  15.08 +/- 1.87   0.046% *  0.0734% (0.61  1.00   0.02   0.02) =   0.000%
          HB    THR   39 - QE    PHE   59  15.73 +/- 2.02   0.033% *  0.0542% (0.45  1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QE    PHE   59  19.49 +/- 1.43   0.018% *  0.0497% (0.41  1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - QE    PHE   59  19.22 +/- 2.03   0.011% *  0.0734% (0.61  1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - QE    PHE   59  20.80 +/- 2.95   0.005% *  0.0212% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 2 structures by 0.26 A, kept.
 
    Peak 162 (2.42, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.823, support = 1.0, residual support = 2.27:
          HB    VAL  107 - QE    PHE   59   3.73 +/- 1.57  83.426% * 40.3843% (0.80   1.00   2.53) =  85.068%  kept
          QE    LYS+ 112 - QE    PHE   59   7.58 +/- 2.24  10.872% * 51.4240% (1.00   1.02   0.45) =  14.116%  kept
          HB3   ASP-  62 - QE    PHE   59   6.33 +/- 0.91   5.469% *  5.8653% (0.14   0.86   6.50) =   0.810%  kept
          HB3   PHE   45 - QE    PHE   59  10.84 +/- 2.00   0.223% *  1.0084% (1.00   0.02   0.02) =   0.006%
          HB3   ASP-  86 - QE    PHE   59  18.16 +/- 2.73   0.005% *  0.4531% (0.45   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QE    PHE   59  22.49 +/- 2.65   0.002% *  0.6130% (0.61   0.02   0.02) =   0.000%
          QG    GLN   32 - QE    PHE   59  20.24 +/- 2.23   0.003% *  0.2520% (0.25   0.02   0.02) =   0.000%
    Distance limit 5.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 163 (2.27, 7.26, 128.86 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 3.96, residual support = 20.8:
          HG12  ILE  119 - QE    PHE   59   2.77 +/- 0.83  99.466% * 95.9763% (0.73   3.96  20.77) =  99.997%  kept
          HB2   ASP-  44 - QE    PHE   59   8.35 +/- 2.24   0.358% *  0.6614% (0.99   0.02   0.02) =   0.002%
          HB3   PHE   72 - QE    PHE   59   9.91 +/- 1.78   0.096% *  0.6659% (1.00   0.02   0.02) =   0.001%
          QG    GLU-  15 - QE    PHE   59  14.88 +/- 1.78   0.014% *  0.6313% (0.95   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    PHE   59  12.17 +/- 2.26   0.053% *  0.1664% (0.25   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    PHE   59  16.28 +/- 1.43   0.005% *  0.6541% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   59  17.12 +/- 1.48   0.005% *  0.6659% (1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   59  23.99 +/- 1.88   0.001% *  0.3511% (0.53   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    PHE   59  21.26 +/- 2.19   0.001% *  0.2276% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 1 structures by 0.05 A, kept.
 
    Peak 164 (1.11, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.62, support = 2.63, residual support = 9.86:
          QG1   VAL  107 - QE    PHE   59   2.63 +/- 1.15  73.891% * 22.8222% (0.53   2.00   2.53) =  56.331%  kept
          HG13  ILE  119 - QE    PHE   59   3.30 +/- 0.76  21.132% * 57.4017% (0.73   3.64  20.77) =  40.519%  kept
          HD3   LYS+ 112 - QE    PHE   59   8.75 +/- 2.28   4.973% * 18.9601% (0.95   0.92   0.45) =   3.150%  kept
          QG1   VAL   24 - QE    PHE   59  15.03 +/- 2.19   0.001% *  0.3763% (0.87   0.02   0.02) =   0.000%
          QB    ALA   20 - QE    PHE   59  13.84 +/- 1.57   0.002% *  0.1082% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   31 - QE    PHE   59  17.37 +/- 2.41   0.001% *  0.3315% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 0.729, support = 2.03, residual support = 17.6:
        T QD2   LEU  115 - QE    PHE   59   3.54 +/- 0.80  25.561% * 79.7228% (0.87 10.00   2.88  29.11) =  59.452%  kept
        T QD1   LEU   63 - QE    PHE   59   2.93 +/- 1.62  74.285% * 18.7079% (0.53 10.00   0.77   0.78) =  40.545%  kept
        T QD1   LEU  104 - QE    PHE   59   9.40 +/- 1.55   0.109% *  0.9170% (1.00 10.00   0.02   0.02) =   0.003%
        T QD1   LEU   73 - QE    PHE   59  11.62 +/- 2.12   0.017% *  0.4835% (0.53 10.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - QE    PHE   59  13.96 +/- 2.49   0.008% *  0.0702% (0.76  1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QE    PHE   59  14.47 +/- 2.26   0.004% *  0.0824% (0.90  1.00   0.02   0.02) =   0.000%
          QG2   ILE   89 - QE    PHE   59  11.58 +/- 1.77   0.017% *  0.0161% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 2.91, residual support = 28.5:
          QD1   LEU  115 - QE    PHE   59   4.29 +/- 0.86  92.434% * 77.1356% (0.45   2.96  29.11) =  97.910%  kept
          QB    ALA   64 - QE    PHE   59   7.74 +/- 1.04   6.739% * 22.5408% (0.45   0.86   0.02) =   2.086%  kept
          QG1   VAL   75 - QE    PHE   59  11.29 +/- 2.19   0.826% *  0.3235% (0.28   0.02   0.02) =   0.004%
    Distance limit 4.93 A violated in 0 structures by 0.04 A, kept.
 
    Peak 167 (0.24, 7.26, 128.86 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.66, residual support = 10.1:
          QG2   THR  118 - QE    PHE   59   2.67 +/- 1.53 100.000% *100.0000% (0.80   3.66  10.14) = 100.000%  kept
    Distance limit 4.81 A violated in 2 structures by 0.23 A, kept.
 
    Peak 168 (7.28, 7.63, 131.92 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 1.13, residual support = 72.0:
      O   QD    PHE   60 - QE    PHE   60   2.23 +/- 0.00  99.855% * 99.6771% (0.99  10.0   1.13  72.03) = 100.000%  kept
          HN    LYS+  66 - QE    PHE   60   8.76 +/- 1.20   0.039% *  0.1366% (0.76   1.0   0.02   0.02) =   0.000%
          QE    PHE   59 - QE    PHE   60   7.82 +/- 1.28   0.105% *  0.0497% (0.28   1.0   0.02  20.42) =   0.000%
          HN    LYS+  81 - QE    PHE   60  15.89 +/- 2.15   0.001% *  0.1366% (0.76   1.0   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.853, support = 2.66, residual support = 9.04:
          HB3   PHE   72 - QE    PHE   60   4.48 +/- 1.80  50.159% * 82.6228% (0.87   3.01  10.50) =  85.703%  kept
          HB2   ASP-  44 - QE    PHE   60   4.53 +/- 2.08  48.715% * 14.1800% (0.76   0.59   0.25) =  14.285%  kept
          HG12  ILE  119 - QE    PHE   60  10.31 +/- 1.54   0.466% *  0.6207% (0.98   0.02   0.02) =   0.006%
          QG    GLU-  15 - QE    PHE   60  11.02 +/- 1.77   0.212% *  0.4096% (0.65   0.02   0.02) =   0.002%
          QG    GLU-  14 - QE    PHE   60  11.78 +/- 2.11   0.160% *  0.5070% (0.80   0.02   0.02) =   0.002%
          HG3   MET   92 - QE    PHE   60  13.48 +/- 3.01   0.163% *  0.3585% (0.57   0.02   0.02) =   0.001%
          QG    GLN   90 - QE    PHE   60  14.76 +/- 2.69   0.053% *  0.5845% (0.92   0.02   0.02) =   0.001%
          HB2   ASP- 105 - QE    PHE   60  12.88 +/- 1.51   0.055% *  0.1410% (0.22   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    PHE   60  16.36 +/- 1.73   0.009% *  0.4349% (0.69   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   60  19.25 +/- 2.21   0.008% *  0.1410% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.18 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 = 0.947, support = 1.55, residual support = 3.91:
          HB    VAL   42 - QE    PHE   60   7.16 +/- 1.91  22.516% * 52.0331% (1.00  1.00   1.79   4.96) =  72.697%  kept
          HB3   LEU   73 - QE    PHE   60   7.76 +/- 1.64   8.242% * 34.8132% (0.98  1.00   1.22   1.67) =  17.804%  kept
          HB3   LYS+  74 - QE    PHE   60   6.29 +/- 2.10  40.010% *  2.4084% (0.25  1.00   0.33   0.02) =   5.979%  kept
          HG3   LYS+  65 - QE    PHE   60   8.83 +/- 1.91   8.749% *  6.0086% (1.00  1.00   0.21   0.02) =   3.262%  kept
          HB3   PRO   93 - QE    PHE   60   8.03 +/- 2.78  18.388% *  0.1618% (0.28  1.00   0.02   0.02) =   0.185%
        T QB    ALA   84 - QE    PHE   60  12.70 +/- 2.05   0.405% *  1.4507% (0.25 10.00   0.02   0.02) =   0.036%
          QB    ALA   12 - QE    PHE   60  15.06 +/- 2.61   0.388% *  0.4446% (0.76  1.00   0.02   0.02) =   0.011%
          QB    LEU   98 - QE    PHE   60  12.16 +/- 1.78   0.387% *  0.2832% (0.49  1.00   0.02   0.02) =   0.007%
          HB2   LYS+ 112 - QE    PHE   60  14.34 +/- 2.44   0.184% *  0.5371% (0.92  1.00   0.02   0.02) =   0.006%
          HG3   LYS+ 106 - QE    PHE   60  13.69 +/- 1.83   0.178% *  0.4860% (0.84  1.00   0.02   0.02) =   0.005%
          HG3   LYS+  33 - QE    PHE   60  15.68 +/- 1.98   0.106% *  0.5805% (1.00  1.00   0.02   0.02) =   0.004%
          HG    LEU   98 - QE    PHE   60  13.16 +/- 1.92   0.303% *  0.1019% (0.18  1.00   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - QE    PHE   60  15.48 +/- 2.03   0.121% *  0.1295% (0.22  1.00   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QE    PHE   60  19.46 +/- 2.05   0.024% *  0.5615% (0.97  1.00   0.02   0.02) =   0.001%
    Distance limit 5.20 A violated in 2 structures by 0.49 A, kept.
 
    Peak 171 (0.81, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.198, support = 1.21, residual support = 4.31:
        T QD1   ILE   56 - QE    PHE   60   7.17 +/- 1.87  93.155% * 98.6451% (0.20 10.00   1.21   4.31) =  99.946%  kept
          QD2   LEU  123 - QE    PHE   60  13.47 +/- 1.47   5.309% *  0.7584% (0.92  1.00   0.02   0.02) =   0.044%
          HG3   LYS+ 121 - QE    PHE   60  15.56 +/- 1.67   1.536% *  0.5966% (0.73  1.00   0.02   0.02) =   0.010%
    Distance limit 5.44 A violated in 13 structures by 1.97 A, kept.
 
    Peak 172 (0.39, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.701, support = 1.47, residual support = 3.34:
          QB    ALA   64 - QE    PHE   60   4.00 +/- 1.71  60.941% * 60.7459% (0.84   1.28   2.74) =  72.910%  kept
          QG1   VAL   42 - QE    PHE   60   4.78 +/- 1.53  35.454% * 38.7449% (0.34   2.00   4.96) =  27.054%  kept
          QB    ALA   47 - QE    PHE   60   9.45 +/- 1.58   3.605% *  0.5092% (0.45   0.02   0.02) =   0.036%
    Distance limit 4.99 A violated in 1 structures by 0.11 A, kept.
 
    Peak 173 (2.28, 7.29, 132.36 ppm):
    9 chemical-shift based assignments, quality = 0.786, support = 2.21, residual support = 8.31:
          HB3   PHE   72 - QD    PHE   60   5.16 +/- 1.27  40.548% * 80.9581% (0.76   2.69  10.50) =  78.596%  kept
          HB2   ASP-  44 - QD    PHE   60   4.76 +/- 1.53  56.341% * 15.8488% (0.87   0.46   0.25) =  21.379%  kept
          HG12  ILE  119 - QD    PHE   60   8.60 +/- 1.05   2.170% *  0.2685% (0.34   0.02   0.02) =   0.014%
          QG    GLU-  15 - QD    PHE   60  11.56 +/- 1.14   0.288% *  0.7446% (0.95   0.02   0.02) =   0.005%
          QG    GLU-  14 - QD    PHE   60  12.65 +/- 1.51   0.163% *  0.6575% (0.84   0.02   0.02) =   0.003%
          QG    GLN   90 - QD    PHE   60  14.97 +/- 2.13   0.195% *  0.5407% (0.69   0.02   0.02) =   0.003%
          HG2   MET   92 - QD    PHE   60  12.53 +/- 2.01   0.276% *  0.1379% (0.18   0.02   0.02) =   0.001%
          QB    MET   11 - QD    PHE   60  20.20 +/- 1.64   0.014% *  0.7060% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QD    PHE   60  21.63 +/- 2.06   0.005% *  0.1379% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.25 A violated in 0 structures by 0.04 A, kept.
 
    Peak 174 (6.98, 6.69, 132.41 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.04, residual support = 90.9:
      O   QE    PHE   72 - QD    PHE   72   2.23 +/- 0.00  99.996% * 99.8968% (0.87  10.0   3.04  90.94) = 100.000%  kept
          HD22  ASN   28 - QD    PHE   72  14.04 +/- 0.78   0.002% *  0.0745% (0.65   1.0   0.02   0.02) =   0.000%
          HN    ALA   47 - QD    PHE   72  13.79 +/- 1.38   0.002% *  0.0287% (0.25   1.0   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 175 (7.30, 6.69, 132.41 ppm):
    5 chemical-shift based assignments, quality = 0.758, support = 3.36, residual support = 10.4:
          QD    PHE   60 - QD    PHE   72   4.18 +/- 1.17  87.500% * 90.5741% (0.76   3.39  10.50) =  98.812%  kept
          HN    LYS+  66 - QD    PHE   72   6.62 +/- 0.59  11.297% *  8.4189% (0.28   0.87   0.18) =   1.186%  kept
          HE3   TRP   27 - QD    PHE   72  10.66 +/- 1.21   0.549% *  0.1746% (0.25   0.02   0.02) =   0.001%
          QD    PHE   55 - QD    PHE   72  14.23 +/- 1.87   0.631% *  0.1385% (0.20   0.02   0.02) =   0.001%
          HN    LYS+  81 - QD    PHE   72  18.25 +/- 0.57   0.023% *  0.6938% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 2 structures by 0.23 A, kept.
 
    Peak 176 (7.60, 6.69, 132.41 ppm):
    7 chemical-shift based assignments, quality = 0.286, support = 2.12, residual support = 11.8:
          QE    PHE   60 - QD    PHE   72   4.20 +/- 1.65  81.108% * 47.9431% (0.18   2.47  10.50) =  82.224%  kept
          HN    LEU   63 - QD    PHE   72   6.30 +/- 0.71  18.438% * 45.5562% (0.80   0.51  18.02) =  17.761%  kept
          HD21  ASN   28 - QD    PHE   72  13.73 +/- 0.90   0.124% *  1.9917% (0.90   0.02   0.02) =   0.005%
          HN    ILE   56 - QD    PHE   72  13.13 +/- 1.26   0.133% *  1.5255% (0.69   0.02   0.02) =   0.004%
          HZ2   TRP   87 - QD    PHE   72  13.68 +/- 1.38   0.110% *  1.6126% (0.73   0.02   0.02) =   0.004%
          HN    LYS+ 111 - QD    PHE   72  15.93 +/- 1.83   0.057% *  0.6854% (0.31   0.02   0.02) =   0.001%
          HN    ALA   84 - QD    PHE   72  17.06 +/- 0.63   0.029% *  0.6854% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.14 A violated in 0 structures by 0.05 A, kept.
 
    Peak 177 (9.36, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.56, residual support = 90.9:
          HN    PHE   72 - QD    PHE   72   2.87 +/- 0.28  99.974% * 99.8217% (0.98   5.56  90.94) = 100.000%  kept
          HN    LEU  104 - QD    PHE   72  11.81 +/- 0.68   0.026% *  0.1783% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 178 (6.70, 6.99, 130.46 ppm):
    3 chemical-shift based assignments, quality = 0.73, support = 1.9, residual support = 90.9:
      O T HZ    PHE   72 - QE    PHE   72   2.18 +/- 0.00  53.190% * 52.6465% (0.76  10.0 10.00   1.00  90.94) =  55.837%  kept
      O T QD    PHE   72 - QE    PHE   72   2.23 +/- 0.00  46.805% * 47.3200% (0.69  10.0 10.00   3.04  90.94) =  44.163%  kept
          QE    PHE   45 - QE    PHE   72  11.15 +/- 1.44   0.005% *  0.0335% (0.49   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 179 (7.30, 6.99, 130.46 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 1.03, residual support = 8.48:
          QD    PHE   60 - QE    PHE   72   4.97 +/- 1.28  55.728% * 74.2754% (0.76   1.06  10.50) =  80.435%  kept
          HN    LYS+  66 - QE    PHE   72   5.11 +/- 0.42  43.606% * 23.0825% (0.28   0.90   0.18) =  19.560%  kept
          QD    PHE   55 - QE    PHE   72  14.08 +/- 2.12   0.439% *  0.3635% (0.20   0.02   0.02) =   0.003%
          HE3   TRP   27 - QE    PHE   72  12.42 +/- 1.30   0.217% *  0.4580% (0.25   0.02   0.02) =   0.002%
          HN    LYS+  81 - QE    PHE   72  20.14 +/- 0.72   0.010% *  1.8205% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.04 A, kept.
 
    Peak 180 (6.99, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 1.0, residual support = 90.9:
      O   QE    PHE   72 - HZ    PHE   72   2.18 +/- 0.00  99.999% * 99.8250% (1.00  10.0   1.00  90.94) = 100.000%  kept
          HN    ALA   47 - HZ    PHE   72  18.01 +/- 2.19   0.000% *  0.1133% (0.57   1.0   0.02   0.02) =   0.000%
          HD22  ASN   28 - HZ    PHE   72  18.55 +/- 0.94   0.000% *  0.0618% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 4.58, residual support = 90.9:
          HA    PHE   72 - QD    PHE   72   2.90 +/- 0.34  99.911% * 99.8342% (0.90   4.58  90.94) = 100.000%  kept
          HA    MET   96 - QD    PHE   72   9.86 +/- 0.84   0.089% *  0.1658% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.14 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 = 0.422, support = 0.02, residual support = 0.02:
          HA    PHE   45 - QD    PHE   72  10.31 +/- 1.40  67.924% *  9.9133% (0.22   0.02   0.02) =  48.857%  kept
          HA    THR   23 - QD    PHE   72  13.13 +/- 0.96  16.977% * 28.8048% (0.65   0.02   0.02) =  35.482%  kept
          HA    ASP-  78 - QD    PHE   72  18.09 +/- 1.03   2.322% * 41.1037% (0.92   0.02   0.02) =   6.924%  kept
          HB    THR   23 - QD    PHE   72  14.87 +/- 0.65   8.243% *  7.7981% (0.18   0.02   0.02) =   4.664%  kept
          HA    LEU   80 - QD    PHE   72  16.58 +/- 0.82   4.534% * 12.3802% (0.28   0.02   0.02) =   4.073%  kept
    Distance limit 5.10 A violated in 20 structures by 4.48 A, eliminated.
    Peak unassigned.
 
    Peak 183 (2.85, 6.69, 132.41 ppm):
    4 chemical-shift based assignments, quality = 0.517, support = 3.88, residual support = 67.1:
      O T HB2   PHE   72 - QD    PHE   72   2.43 +/- 0.14  85.577% * 17.6413% (0.20  10.0 10.00   4.50  90.94) =  56.026%  kept
        T HA    ALA   64 - QD    PHE   72   3.42 +/- 0.57  14.399% * 82.2895% (0.92   1.0 10.00   3.10  36.83) =  43.974%  kept
          QE    LYS+  66 - QD    PHE   72   9.78 +/- 0.58   0.021% *  0.0222% (0.25   1.0  1.00   0.02   0.18) =   0.000%
          HB3   ASN   35 - QD    PHE   72  15.12 +/- 0.67   0.002% *  0.0469% (0.53   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 184 (2.27, 6.69, 132.41 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.72, residual support = 90.9:
      O T HB3   PHE   72 - QD    PHE   72   2.44 +/- 0.13  96.835% * 99.4111% (0.98  10.0 10.00   4.72  90.94) =  99.997%  kept
          HB2   ASP-  44 - QD    PHE   72   6.09 +/- 1.44   2.105% *  0.0936% (0.92   1.0  1.00   0.02   0.02) =   0.002%
          QG    GLU-  15 - QD    PHE   72   6.61 +/- 1.31   0.874% *  0.0847% (0.84   1.0  1.00   0.02   0.02) =   0.001%
          QG    GLU-  14 - QD    PHE   72   8.66 +/- 1.54   0.157% *  0.0959% (0.95   1.0  1.00   0.02   0.02) =   0.000%
          HG12  ILE  119 - QD    PHE   72  10.40 +/- 1.25   0.023% *  0.0880% (0.87   1.0  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD    PHE   72  13.86 +/- 0.95   0.003% *  0.0494% (0.49   1.0  1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   72  15.67 +/- 1.71   0.002% *  0.0381% (0.38   1.0  1.00   0.02   0.02) =   0.000%
          QG    GLN   90 - QD    PHE   72  17.79 +/- 1.60   0.001% *  0.1012% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QD    PHE   72  17.24 +/- 1.44   0.001% *  0.0381% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 185 (1.39, 6.69, 132.41 ppm):
    12 chemical-shift based assignments, quality = 0.799, support = 1.01, residual support = 6.44:
        T HB    VAL   42 - QD    PHE   72   3.82 +/- 0.62  92.018% * 65.0466% (0.80 10.00   0.94   5.78) =  98.004%  kept
          HB3   LEU   73 - QD    PHE   72   6.88 +/- 0.47   3.965% * 29.4253% (0.73  1.00   4.68  40.59) =   1.911%  kept
          HG3   LYS+  65 - QD    PHE   72   8.37 +/- 0.81   1.380% *  3.5534% (0.80  1.00   0.51   0.02) =   0.080%
          HB3   LYS+  74 - QD    PHE   72   8.00 +/- 0.84   1.485% *  0.0981% (0.57  1.00   0.02   0.02) =   0.002%
          QB    LEU   98 - QD    PHE   72   9.74 +/- 0.54   0.427% *  0.1447% (0.84  1.00   0.02   0.02) =   0.001%
          QB    ALA   12 - QD    PHE   72  12.01 +/- 2.16   0.267% *  0.1717% (0.99  1.00   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QD    PHE   72  11.29 +/- 1.14   0.217% *  0.1503% (0.87  1.00   0.02   0.02) =   0.001%
        T HB2   LYS+ 112 - QD    PHE   72  16.83 +/- 1.52   0.020% *  1.0506% (0.61 10.00   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    PHE   72  14.06 +/- 2.61   0.079% *  0.0911% (0.53  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD    PHE   72  12.98 +/- 0.78   0.083% *  0.0843% (0.49  1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    PHE   72  14.82 +/- 1.27   0.041% *  0.0650% (0.38  1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD    PHE   72  16.60 +/- 0.79   0.018% *  0.1190% (0.69  1.00   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.04 A, kept.
 
    Peak 186 (1.00, 6.69, 132.41 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 1.5, residual support = 35.3:
        T QD1   LEU   67 - QD    PHE   72   4.12 +/- 1.14  81.213% * 97.5868% (0.41 10.00   1.50  35.30) =  99.918%  kept
        T QD1   ILE  119 - QD    PHE   72   8.62 +/- 1.27   2.675% *  1.6652% (0.53 10.00   0.02   0.02) =   0.056%
          QD2   LEU   40 - QD    PHE   72   6.68 +/- 0.90  10.528% *  0.1419% (0.45  1.00   0.02   0.02) =   0.019%
          HG3   LYS+  74 - QD    PHE   72   8.26 +/- 1.17   3.808% *  0.0705% (0.22  1.00   0.02   0.02) =   0.003%
          HB    VAL   75 - QD    PHE   72  10.23 +/- 0.92   0.724% *  0.3102% (0.98  1.00   0.02   0.02) =   0.003%
          QG2   ILE  103 - QD    PHE   72  11.21 +/- 0.63   0.369% *  0.0977% (0.31  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QD    PHE   72  11.01 +/- 0.92   0.456% *  0.0789% (0.25  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD    PHE   72  12.22 +/- 1.20   0.226% *  0.0488% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 5.11 A violated in 0 structures by 0.02 A, kept.
 
    Peak 187 (0.79, 6.69, 132.41 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 6.0, residual support = 40.6:
          QD2   LEU   73 - QD    PHE   72   4.78 +/- 0.27  84.774% * 99.0279% (0.95   6.00  40.59) =  99.980%  kept
          QD1   ILE   56 - QD    PHE   72   9.84 +/- 1.32   1.685% *  0.3460% (0.99   0.02   0.02) =   0.007%
          QG1   VAL   43 - QD    PHE   72   7.18 +/- 0.58   8.224% *  0.0539% (0.15   0.02   0.02) =   0.005%
          QG1   VAL   41 - QD    PHE   72   7.93 +/- 0.68   4.556% *  0.0971% (0.28   0.02   0.02) =   0.005%
          HG    LEU   31 - QD    PHE   72  11.49 +/- 0.75   0.516% *  0.2916% (0.84   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - QD    PHE   72  13.87 +/- 2.34   0.245% *  0.1837% (0.53   0.02   0.02) =   0.001%
    Distance limit 5.14 A violated in 0 structures by 0.02 A, kept.
 
    Peak 188 (0.41, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.92, residual support = 36.8:
        T QB    ALA   64 - QD    PHE   72   2.83 +/- 0.72  99.840% * 99.9781% (0.80 10.00   4.92  36.83) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   72   9.94 +/- 1.00   0.160% *  0.0219% (0.18  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.04 A, kept.
 
    Peak 189 (0.20, 6.69, 132.41 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 1.84, residual support = 40.1:
        T QG2   VAL   70 - QD    PHE   72   3.37 +/- 0.79 100.000% *100.0000% (0.65 10.00   1.84  40.12) = 100.000%  kept
    Distance limit 4.87 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 = 3.96, residual support = 36.8:
        T HA    ALA   64 - QE    PHE   72   2.55 +/- 0.34  99.871% * 99.5248% (0.38 10.00   3.96  36.83) = 100.000%  kept
          QE    LYS+  66 - QE    PHE   72   8.16 +/- 0.62   0.127% *  0.2123% (0.80  1.00   0.02   0.18) =   0.000%
          HB3   ASN   35 - QE    PHE   72  15.82 +/- 0.73   0.002% *  0.2628% (0.99  1.00   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 191 (2.21, 6.99, 130.46 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.86, residual support = 40.1:
        T HB    VAL   70 - QE    PHE   72   2.82 +/- 0.74  95.819% * 98.7668% (0.99 10.00   3.86  40.12) =  99.960%  kept
        T QG    GLN   17 - QE    PHE   72   7.05 +/- 1.33   3.942% *  0.9617% (0.97 10.00   0.02   0.02) =   0.040%
          HB2   MET   96 - QE    PHE   72   9.96 +/- 1.26   0.122% *  0.0832% (0.84  1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    PHE   72  10.98 +/- 1.73   0.083% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   72  13.88 +/- 1.11   0.013% *  0.0374% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QE    PHE   72  17.82 +/- 0.81   0.003% *  0.0894% (0.90  1.00   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QE    PHE   72  13.81 +/- 1.08   0.012% *  0.0154% (0.15  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QE    PHE   72  15.89 +/- 0.86   0.005% *  0.0308% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.04 A, kept.
 
    Peak 192 (1.99, 6.99, 130.46 ppm):
    10 chemical-shift based assignments, quality = 0.447, support = 3.08, residual support = 35.2:
        T HB2   LEU   67 - QE    PHE   72   2.74 +/- 0.75  91.140% * 90.3228% (0.45 10.00   3.09  35.30) =  99.712%  kept
          HG2   PRO   68 - QE    PHE   72   6.78 +/- 0.99   2.662% *  7.2914% (0.80  1.00   0.90   0.02) =   0.235%
          HB    ILE   19 - QE    PHE   72   7.18 +/- 1.18   2.432% *  1.7348% (0.73  1.00   0.24   0.02) =   0.051%
          QB    GLU-  15 - QE    PHE   72   6.76 +/- 1.46   1.858% *  0.0353% (0.18  1.00   0.02   0.02) =   0.001%
          HB    VAL   18 - QE    PHE   72   6.75 +/- 1.19   1.437% *  0.0449% (0.22  1.00   0.02   6.35) =   0.001%
          HB2   GLN   17 - QE    PHE   72   8.10 +/- 0.93   0.427% *  0.0353% (0.18  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - QE    PHE   72  12.95 +/- 0.68   0.017% *  0.1748% (0.87  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QE    PHE   72  12.49 +/- 1.13   0.016% *  0.1683% (0.84  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - QE    PHE   72  13.49 +/- 1.83   0.010% *  0.1303% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    PHE   72  18.31 +/- 0.79   0.002% *  0.0622% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 0.374, support = 3.07, residual support = 35.0:
          HB3   LEU   67 - QE    PHE   72   3.15 +/- 1.00  89.393% * 72.7408% (0.38   3.09  35.30) =  99.018%  kept
          QG    LYS+  66 - QE    PHE   72   6.53 +/- 0.70   3.047% * 18.8656% (0.22   1.35   0.18) =   0.875%  kept
          HG12  ILE   19 - QE    PHE   72   7.96 +/- 1.92   4.927% *  1.0487% (0.84   0.02   0.02) =   0.079%
          QB    ALA   61 - QE    PHE   72   7.04 +/- 0.50   1.732% *  0.6606% (0.53   0.02   0.02) =   0.017%
          QB    ALA   12 - QE    PHE   72  12.67 +/- 2.35   0.441% *  0.4712% (0.38   0.02   0.02) =   0.003%
          HB3   LYS+  74 - QE    PHE   72  10.08 +/- 0.86   0.162% *  1.1260% (0.90   0.02   0.02) =   0.003%
          QB    LEU   98 - QE    PHE   72  10.03 +/- 0.65   0.181% *  0.8122% (0.65   0.02   0.02) =   0.002%
          HD3   LYS+ 121 - QE    PHE   72  12.73 +/- 3.14   0.069% *  1.1590% (0.92   0.02   0.02) =   0.001%
          QB    ALA  110 - QE    PHE   72  14.00 +/- 1.88   0.028% *  0.9595% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    PHE   72  16.73 +/- 1.36   0.009% *  1.2445% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    PHE   72  16.66 +/- 1.80   0.012% *  0.9117% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.05 A, kept.
 
    Peak 194 (1.00, 6.99, 130.46 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 4.13, residual support = 35.3:
        T QD1   LEU   67 - QE    PHE   72   2.84 +/- 0.49  97.059% * 98.1791% (0.41 10.00   4.13  35.30) =  99.987%  kept
        T QD1   ILE  119 - QE    PHE   72   7.60 +/- 1.50   0.834% *  1.2564% (0.53 10.00   0.02   0.02) =   0.011%
          QD2   LEU   40 - QE    PHE   72   6.36 +/- 0.91   1.826% *  0.1071% (0.45  1.00   0.02   0.02) =   0.002%
          HB    VAL   75 - QE    PHE   72  12.07 +/- 1.13   0.030% *  0.2341% (0.98  1.00   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    PHE   72  10.36 +/- 1.34   0.083% *  0.0595% (0.25  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QE    PHE   72  10.16 +/- 1.27   0.089% *  0.0532% (0.22  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    PHE   72  11.08 +/- 1.11   0.050% *  0.0737% (0.31  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - QE    PHE   72  12.30 +/- 1.64   0.030% *  0.0368% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 0.627, support = 4.43, residual support = 22.0:
          HB3   LEU   63 - QE    PHE   72   3.30 +/- 1.47  45.739% * 81.2699% (0.73   4.50  18.02) =  82.035%  kept
          QG1   VAL   70 - QE    PHE   72   3.11 +/- 0.92  45.252% * 17.9594% (0.18   4.12  40.12) =  17.935%  kept
          QD1   LEU   40 - QE    PHE   72   4.63 +/- 0.85   7.314% *  0.1535% (0.31   0.02   0.02) =   0.025%
          QG1   VAL   18 - QE    PHE   72   6.09 +/- 0.82   1.688% *  0.1240% (0.25   0.02   6.35) =   0.005%
          QG1   VAL  108 - QE    PHE   72  13.98 +/- 1.54   0.007% *  0.4930% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 0.83, support = 3.8, residual support = 18.1:
          QD2   LEU   63 - QE    PHE   72   3.52 +/- 1.05  60.664% * 27.0947% (0.69   3.62  18.02) =  51.080%  kept
          QD1   LEU   63 - QE    PHE   72   3.97 +/- 0.97  36.448% * 42.7031% (0.98   4.00  18.02) =  48.370%  kept
          QD1   LEU   73 - QE    PHE   72   8.16 +/- 0.16   0.590% * 29.7587% (0.98   2.79  40.59) =   0.545%  kept
          QG2   VAL   41 - QE    PHE   72   8.01 +/- 0.62   1.669% *  0.0381% (0.18   0.02   0.02) =   0.002%
          QD1   LEU  104 - QE    PHE   72   8.94 +/- 1.32   0.382% *  0.0977% (0.45   0.02   0.02) =   0.001%
          QD2   LEU  115 - QE    PHE   72   9.41 +/- 0.89   0.202% *  0.1582% (0.73   0.02   0.02) =   0.001%
          QD2   LEU   80 - QE    PHE   72  13.03 +/- 1.45   0.045% *  0.1496% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.77 A violated in 0 structures by 0.01 A, kept.
 
    Peak 198 (0.38, 6.99, 130.46 ppm):
    4 chemical-shift based assignments, quality = 0.682, support = 4.05, residual support = 36.1:
          QB    ALA   64 - QE    PHE   72   3.12 +/- 0.39  68.514% * 94.7389% (0.69   4.13  36.83) =  97.761%  kept
          QG1   VAL   42 - QE    PHE   72   3.82 +/- 0.93  31.470% *  4.7241% (0.49   0.29   5.78) =   2.239%  kept
          QB    ALA   47 - QE    PHE   72  14.22 +/- 1.64   0.009% *  0.4049% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QE    PHE   72  15.02 +/- 2.01   0.007% *  0.1321% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 199 (0.19, 6.99, 130.46 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 5.05, residual support = 40.1:
        T QG2   VAL   70 - QE    PHE   72   2.89 +/- 0.77 100.000% *100.0000% (0.90 10.00   5.05  40.12) = 100.000%  kept
    Distance limit 4.29 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 = 2.17, residual support = 36.8:
        T HA    ALA   64 - HZ    PHE   72   2.88 +/- 0.58  99.706% * 99.7900% (0.65 10.00   2.17  36.83) = 100.000%  kept
          QE    LYS+  66 - HZ    PHE   72   8.45 +/- 0.86   0.292% *  0.0812% (0.53  1.00   0.02   0.18) =   0.000%
          HB3   ASN   35 - HZ    PHE   72  18.33 +/- 0.95   0.003% *  0.1288% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 5.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 201 (2.20, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 3.3, residual support = 40.1:
        T HB    VAL   70 - HZ    PHE   72   3.75 +/- 1.22  95.001% * 98.2503% (0.92 10.00   3.30  40.12) =  99.949%  kept
        T QG    GLN   17 - HZ    PHE   72   8.71 +/- 1.33   4.274% *  1.0272% (0.97 10.00   0.02   0.02) =   0.047%
        T HB2   MET   96 - HZ    PHE   72  11.88 +/- 1.74   0.650% *  0.5600% (0.53 10.00   0.02   0.02) =   0.004%
          HB2   LYS+  38 - HZ    PHE   72  15.81 +/- 1.49   0.028% *  0.0399% (0.38  1.00   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HZ    PHE   72  21.08 +/- 0.89   0.007% *  0.1062% (1.00  1.00   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HZ    PHE   72  15.72 +/- 1.12   0.040% *  0.0164% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 4.94 A violated in 1 structures by 0.10 A, kept.
 
    Peak 202 (1.99, 6.71, 127.90 ppm):
    10 chemical-shift based assignments, quality = 0.447, support = 2.95, residual support = 35.2:
        T HB2   LEU   67 - HZ    PHE   72   2.94 +/- 0.70  94.982% * 91.8633% (0.45 10.00   2.96  35.30) =  99.702%  kept
          HG2   PRO   68 - HZ    PHE   72   7.36 +/- 1.59   3.547% *  7.3259% (0.80  1.00   0.89   0.02) =   0.297%
          HB    ILE   19 - HZ    PHE   72   9.21 +/- 1.17   0.195% *  0.1488% (0.73  1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HZ    PHE   72   8.41 +/- 1.84   0.666% *  0.0359% (0.18  1.00   0.02   0.02) =   0.000%
          HB    VAL   18 - HZ    PHE   72   8.50 +/- 1.29   0.453% *  0.0456% (0.22  1.00   0.02   6.35) =   0.000%
          HB2   GLN   17 - HZ    PHE   72   9.83 +/- 1.12   0.118% *  0.0359% (0.18  1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - HZ    PHE   72  14.44 +/- 1.61   0.014% *  0.1711% (0.84  1.00   0.02   0.02) =   0.000%
          HG3   PRO   58 - HZ    PHE   72  14.95 +/- 0.95   0.011% *  0.1777% (0.87  1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HZ    PHE   72  15.37 +/- 2.42   0.012% *  0.1326% (0.65  1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HZ    PHE   72  21.61 +/- 0.89   0.001% *  0.0632% (0.31  1.00   0.02   0.02) =   0.000%
    Distance limit 4.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 203 (1.41, 6.71, 127.90 ppm):
    11 chemical-shift based assignments, quality = 0.373, support = 2.93, residual support = 34.8:
          HB3   LEU   67 - HZ    PHE   72   3.59 +/- 1.10  90.988% * 76.9462% (0.38   2.96  35.30) =  98.721%  kept
          QG    LYS+  66 - HZ    PHE   72   6.71 +/- 0.92   6.412% * 13.7841% (0.22   0.89   0.18) =   1.246%  kept
          QB    ALA   61 - HZ    PHE   72   8.32 +/- 0.49   1.386% *  0.7295% (0.53   0.02   0.02) =   0.014%
          HG12  ILE   19 - HZ    PHE   72  10.18 +/- 2.00   0.553% *  1.1582% (0.84   0.02   0.02) =   0.009%
          HD3   LYS+ 121 - HZ    PHE   72  13.94 +/- 3.88   0.211% *  1.2800% (0.92   0.02   0.02) =   0.004%
          QB    LEU   98 - HZ    PHE   72  11.57 +/- 0.92   0.164% *  0.8970% (0.65   0.02   0.02) =   0.002%
          HB3   LYS+  74 - HZ    PHE   72  12.43 +/- 0.90   0.113% *  1.2436% (0.90   0.02   0.02) =   0.002%
          QB    ALA   12 - HZ    PHE   72  14.97 +/- 2.66   0.120% *  0.5204% (0.38   0.02   0.02) =   0.001%
          QB    ALA  110 - HZ    PHE   72  16.27 +/- 2.18   0.038% *  1.0597% (0.76   0.02   0.02) =   0.001%
          HB2   LEU   80 - HZ    PHE   72  19.86 +/- 1.56   0.007% *  1.3744% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - HZ    PHE   72  19.78 +/- 2.04   0.009% *  1.0069% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.02 A, kept.
 
    Peak 204 (1.00, 6.71, 127.90 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 3.99, residual support = 35.3:
        T QD1   LEU   67 - HZ    PHE   72   3.33 +/- 0.66  95.839% * 96.1534% (0.41 10.00   3.99  35.30) =  99.976%  kept
        T QD1   ILE  119 - HZ    PHE   72   8.66 +/- 1.89   1.573% *  1.2305% (0.53 10.00   0.02   0.02) =   0.021%
          QD2   LEU   40 - HZ    PHE   72   7.42 +/- 1.07   2.308% *  0.1049% (0.45  1.00   0.02   0.02) =   0.003%
        T HB    VAL   75 - HZ    PHE   72  14.66 +/- 1.27   0.022% *  2.2925% (0.98 10.00   0.02   0.02) =   0.001%
          HB2   LEU  104 - HZ    PHE   72  11.63 +/- 1.94   0.130% *  0.0583% (0.25  1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HZ    PHE   72  12.62 +/- 1.60   0.057% *  0.0722% (0.31  1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HZ    PHE   72  12.57 +/- 1.31   0.042% *  0.0521% (0.22  1.00   0.02   0.02) =   0.000%
          QG2   VAL  108 - HZ    PHE   72  14.32 +/- 2.10   0.030% *  0.0361% (0.15  1.00   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.07 A, kept.
 
    Peak 205 (0.88, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.751, support = 3.0, residual support = 25.5:
        T HB3   LEU   63 - HZ    PHE   72   4.29 +/- 1.85  41.833% * 69.6585% (0.95 10.00   3.18  18.02) =  65.923%  kept
        T QG1   VAL   70 - HZ    PHE   72   3.67 +/- 0.90  54.293% * 27.6371% (0.38 10.00   2.68  40.12) =  33.946%  kept
          QD1   LEU   71 - HZ    PHE   72   7.95 +/- 1.32   2.211% *  2.5925% (0.20  1.00   3.56  20.12) =   0.130%
          QG1   VAL   18 - HZ    PHE   72   7.70 +/- 0.91   1.304% *  0.0358% (0.49  1.00   0.02   6.35) =   0.001%
          QD1   LEU  123 - HZ    PHE   72   9.39 +/- 2.58   0.349% *  0.0146% (0.20  1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - HZ    PHE   72  16.21 +/- 1.98   0.009% *  0.0615% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 206 (0.58, 6.71, 127.90 ppm):
    7 chemical-shift based assignments, quality = 0.802, support = 2.54, residual support = 18.3:
          QD2   LEU   63 - HZ    PHE   72   4.24 +/- 1.27  72.033% * 23.0243% (0.69   2.27  18.02) =  60.828%  kept
          QD1   LEU   63 - HZ    PHE   72   5.34 +/- 1.34  24.247% * 42.8385% (0.98   2.96  18.02) =  38.096%  kept
          QD1   LEU   73 - HZ    PHE   72   9.91 +/- 0.18   0.865% * 33.5367% (0.98   2.32  40.59) =   1.064%  kept
          QD1   LEU  104 - HZ    PHE   72   9.95 +/- 1.74   1.213% *  0.1322% (0.45   0.02   0.02) =   0.006%
          QD2   LEU  115 - HZ    PHE   72  10.79 +/- 1.27   0.348% *  0.2141% (0.73   0.02   0.02) =   0.003%
          QG2   VAL   41 - HZ    PHE   72   9.55 +/- 0.57   1.225% *  0.0516% (0.18   0.02   0.02) =   0.002%
          QD2   LEU   80 - HZ    PHE   72  15.52 +/- 1.65   0.068% *  0.2025% (0.69   0.02   0.02) =   0.001%
    Distance limit 5.10 A violated in 0 structures by 0.05 A, kept.
 
    Peak 207 (0.19, 6.71, 127.90 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 4.44, residual support = 40.1:
        T QG2   VAL   70 - HZ    PHE   72   3.88 +/- 0.91 100.000% *100.0000% (0.90 10.00   4.44  40.12) = 100.000%  kept
    Distance limit 5.13 A violated in 0 structures by 0.02 A, kept.
 
    Peak 208 (10.56, 7.75, 128.42 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 1.88, residual support = 74.0:
      O   HE1   TRP   87 - HD1   TRP   87   2.64 +/- 0.00 100.000% *100.0000% (0.98  10.0   1.88  74.00) = 100.000%  kept
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 209 (10.56, 7.61, 114.70 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 74.0:
      O   HE1   TRP   87 - HZ2   TRP   87   2.85 +/- 0.00  99.998% * 99.9913% (0.98  10.0   1.00  74.00) = 100.000%  kept
          HE1   TRP   87 - HN    ILE   56  18.36 +/- 1.48   0.002% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 4.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 210 (7.13, 7.71, 120.66 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 74.0:
      O T HZ3   TRP   87 - HE3   TRP   87   2.49 +/- 0.00  99.982% * 99.8601% (0.98  10.0 10.00   1.00  74.00) = 100.000%  kept
          QD    PHE   97 - HE3   TRP   87  12.67 +/- 2.38   0.010% *  0.1017% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HE3   TRP   49 - HE3   TRP   87  18.71 +/- 3.73   0.008% *  0.0382% (0.38   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 211 (7.61, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 1.0, residual support = 74.0:
      O   HZ2   TRP   87 - HH2   TRP   87   2.52 +/- 0.00  99.818% * 99.5607% (0.99  10.0   1.00  74.00) = 100.000%  kept
          HD21  ASN   28 - HH2   TRP   87   8.81 +/- 1.99   0.175% *  0.1969% (0.98   1.0   0.02   0.02) =   0.000%
          QE    PHE   60 - HH2   TRP   87  14.62 +/- 2.36   0.005% *  0.0978% (0.49   1.0   0.02   0.02) =   0.000%
          HN    ILE   56 - HH2   TRP   87  20.46 +/- 2.91   0.002% *  0.0620% (0.31   1.0   0.02   0.02) =   0.000%
          HN    LEU   63 - HH2   TRP   87  19.83 +/- 1.92   0.001% *  0.0826% (0.41   1.0   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 212 (7.22, 7.61, 114.70 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 1.0, residual support = 74.0:
      O   HH2   TRP   87 - HZ2   TRP   87   2.52 +/- 0.00  99.207% * 99.7330% (0.90  10.0   1.00  74.00) = 100.000%  kept
          HN    PHE   59 - HN    ILE   56   5.81 +/- 0.58   0.787% *  0.0027% (0.01   1.0   0.02  20.70) =   0.000%
          HN    HIS  122 - HZ2   TRP   87  21.29 +/- 3.03   0.000% *  0.1858% (0.84   1.0   0.02   0.02) =   0.000%
          HN    PHE   59 - HZ2   TRP   87  19.87 +/- 1.87   0.001% *  0.0618% (0.28   1.0   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    ILE   56  16.07 +/- 1.66   0.003% *  0.0081% (0.04   1.0   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE   56  20.46 +/- 2.91   0.002% *  0.0087% (0.04   1.0   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 2.64:
          HZ2   TRP   27 - HZ2   TRP   87   5.39 +/- 3.25  95.497% * 99.3931% (0.87   0.75   2.64) =  99.994%  kept
          HZ    PHE   72 - HZ2   TRP   87  17.77 +/- 1.99   0.954% *  0.4715% (0.15   0.02   0.02) =   0.005%
          HZ2   TRP   27 - HN    ILE   56  18.61 +/- 1.98   0.843% *  0.1150% (0.04   0.02   0.02) =   0.001%
          HZ    PHE   72 - HN    ILE   56  15.80 +/- 2.08   2.706% *  0.0205% (0.01   0.02   0.02) =   0.001%
    Distance limit 4.57 A violated in 7 structures by 1.56 A, kept.
 
    Peak 214 (7.35, 7.13, 121.44 ppm):
    7 chemical-shift based assignments, quality = 0.636, support = 0.02, residual support = 0.02:
          HD21  ASN   35 - HZ3   TRP   87  15.55 +/- 3.87  29.779% * 11.6802% (0.53   0.02   0.02) =  27.128%  kept
          QE    PHE   95 - HZ3   TRP   87  14.24 +/- 2.42  29.771% * 10.8062% (0.49   0.02   0.02) =  25.091%  kept
          HN    THR   23 - HZ3   TRP   87  15.33 +/- 2.49  20.811% * 11.6802% (0.53   0.02   0.02) =  18.959%  kept
          HD1   TRP   49 - HZ3   TRP   87  19.19 +/- 4.06  10.407% * 22.0041% (0.99   0.02   0.02) =  17.860%  kept
          HD2   HIS   22 - HZ3   TRP   87  19.28 +/- 2.41   4.420% * 20.4937% (0.92   0.02   0.02) =   7.064%  kept
          HN    LEU   67 - HZ3   TRP   87  22.10 +/- 2.01   2.032% * 19.9101% (0.90   0.02   0.02) =   3.156%  kept
          QD    PHE   55 - HZ3   TRP   87  20.82 +/- 2.87   2.781% *  3.4254% (0.15   0.02   0.02) =   0.743%  kept
    Distance limit 3.99 A violated in 20 structures by 7.03 A, eliminated.
    Peak unassigned.
 
    Peak 215 (8.29, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 3.73, residual support = 22.5:
          HN    ASP-  86 - HD1   TRP   87   4.43 +/- 0.26  99.792% * 97.7183% (0.38   3.73  22.48) =  99.998%  kept
          HN    GLU-  29 - HD1   TRP   87  14.60 +/- 1.34   0.094% *  1.1171% (0.80   0.02   0.02) =   0.001%
          HN    GLN   30 - HD1   TRP   87  14.69 +/- 1.52   0.094% *  0.4306% (0.31   0.02   0.02) =   0.000%
          HN    VAL   18 - HD1   TRP   87  19.24 +/- 1.51   0.019% *  0.7340% (0.53   0.02   0.02) =   0.000%
    Distance limit 5.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 216 (-0.01, 7.23, 124.80 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.75, residual support = 1.64:
          QD1   LEU   31 - HH2   TRP   87   6.22 +/- 2.54 100.000% *100.0000% (0.80   0.75   1.64) = 100.000%  kept
    Distance limit 5.22 A violated in 8 structures by 1.44 A, kept.
 
    Peak 217 (0.56, 7.23, 124.80 ppm):
    8 chemical-shift based assignments, quality = 0.534, support = 1.85, residual support = 4.5:
          QD2   LEU   98 - HH2   TRP   87   6.84 +/- 4.16  56.338% * 64.5871% (0.53  1.00   2.00   4.97) =  90.630%  kept
          QG2   VAL   41 - HH2   TRP   87   8.00 +/- 2.81  11.588% * 20.1113% (0.73  1.00   0.45   0.02) =   5.805%  kept
          QD1   LEU   73 - HH2   TRP   87   8.51 +/- 1.94  12.758% * 10.5627% (0.45  1.00   0.38   0.02) =   3.357%  kept
          QD1   LEU   80 - HH2   TRP   87  10.12 +/- 1.35   6.213% *  0.6459% (0.53  1.00   0.02   0.02) =   0.100%
          QD2   LEU   80 - HH2   TRP   87   9.26 +/- 1.30  11.042% *  0.1894% (0.15  1.00   0.02   0.02) =   0.052%
        T QD2   LEU  115 - HH2   TRP   87  17.83 +/- 2.47   0.487% *  2.1499% (0.18 10.00   0.02   0.02) =   0.026%
          QD2   LEU   63 - HH2   TRP   87  14.95 +/- 1.72   0.545% *  1.2033% (0.98  1.00   0.02   0.02) =   0.016%
          QD1   LEU   63 - HH2   TRP   87  13.76 +/- 1.93   1.028% *  0.5504% (0.45  1.00   0.02   0.02) =   0.014%
    Distance limit 5.06 A violated in 10 structures by 1.28 A, kept.
 
    Peak 218 (0.72, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 1.99, residual support = 4.96:
          QD1   LEU   98 - HH2   TRP   87   7.56 +/- 3.76  75.160% * 97.7988% (0.76   2.00   4.97) =  99.825%  kept
          QD2   LEU  104 - HH2   TRP   87  12.55 +/- 4.05   6.899% *  0.9310% (0.73   0.02   0.02) =   0.087%
          QG2   THR   46 - HH2   TRP   87  12.27 +/- 2.16  14.236% *  0.3197% (0.25   0.02   0.02) =   0.062%
          QD1   ILE   19 - HH2   TRP   87  14.77 +/- 2.03   2.197% *  0.7259% (0.57   0.02   0.02) =   0.022%
          QG2   VAL   18 - HH2   TRP   87  14.85 +/- 1.60   1.509% *  0.2245% (0.18   0.02   0.02) =   0.005%
    Distance limit 4.60 A violated in 13 structures by 3.10 A, kept.
 
    Peak 219 (4.35, 7.71, 120.66 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 3.5, residual support = 74.0:
        T HA    TRP   87 - HE3   TRP   87   3.26 +/- 0.36  99.983% * 99.8092% (0.80 10.00   3.50  74.00) = 100.000%  kept
          HA    PHE   59 - HE3   TRP   87  20.58 +/- 1.60   0.003% *  0.1203% (0.97  1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HE3   TRP   87  16.77 +/- 3.31   0.011% *  0.0192% (0.15  1.00   0.02   0.02) =   0.000%
          HA    ASP- 113 - HE3   TRP   87  23.42 +/- 2.41   0.003% *  0.0512% (0.41  1.00   0.02   0.02) =   0.000%
    Distance limit 5.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 220 (3.41, 7.71, 120.66 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.19, residual support = 74.0:
      O T HB2   TRP   87 - HE3   TRP   87   2.55 +/- 0.24  99.997% * 99.0099% (1.00  10.0 10.00   3.19  74.00) = 100.000%  kept
        T HB2   PHE   60 - HE3   TRP   87  18.28 +/- 2.03   0.003% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.95 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 = 0.944, support = 0.748, residual support = 3.16:
        T QD1   ILE  103 - HE3   TRP   87   7.76 +/- 3.94  70.063% * 98.3926% (0.95 10.00   0.75   3.17) =  99.773%  kept
          QG2   ILE  103 - HE3   TRP   87   9.64 +/- 3.52  15.953% *  0.8819% (0.28  1.00   0.23   3.17) =   0.204%
          HG3   LYS+  74 - HE3   TRP   87  16.64 +/- 2.04   6.677% *  0.1041% (0.38  1.00   0.02   0.02) =   0.010%
          QD2   LEU   71 - HE3   TRP   87  16.49 +/- 1.96   1.935% *  0.2406% (0.87  1.00   0.02   0.02) =   0.007%
          QG2   ILE  119 - HE3   TRP   87  19.09 +/- 1.78   0.864% *  0.2774% (1.00  1.00   0.02   0.02) =   0.003%
          QD2   LEU   40 - HE3   TRP   87  13.74 +/- 2.53   3.208% *  0.0486% (0.18  1.00   0.02   0.02) =   0.002%
          QD1   LEU   67 - HE3   TRP   87  17.84 +/- 2.00   1.300% *  0.0549% (0.20  1.00   0.02   0.02) =   0.001%
    Distance limit 5.14 A violated in 13 structures by 3.04 A, kept.
 
    Peak 222 (4.35, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.28, residual support = 74.0:
          HA    TRP   87 - HD1   TRP   87   4.41 +/- 0.42  99.953% * 99.1140% (0.80   4.28  74.00) = 100.000%  kept
          HA    PHE   59 - HD1   TRP   87  19.69 +/- 1.31   0.016% *  0.5587% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD1   TRP   87  18.45 +/- 2.32   0.026% *  0.0893% (0.15   0.02   0.02) =   0.000%
          HA    ASP- 113 - HD1   TRP   87  23.54 +/- 1.54   0.005% *  0.2380% (0.41   0.02   0.02) =   0.000%
    Distance limit 5.07 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 = 15.8:
        T HA    VAL   83 - HD1   TRP   87   3.80 +/- 0.12  99.288% * 95.9068% (0.41 10.00   4.31  15.75) =  99.993%  kept
        T HA    VAL   24 - HD1   TRP   87   9.27 +/- 1.28   0.697% *  0.8755% (0.38 10.00   0.02   0.02) =   0.006%
        T HA    LYS+  38 - HD1   TRP   87  21.56 +/- 1.92   0.003% *  2.0922% (0.90 10.00   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD1   TRP   87  20.28 +/- 2.99   0.006% *  1.0459% (0.45 10.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD1   TRP   87  20.07 +/- 1.60   0.005% *  0.0796% (0.34  1.00   0.02   0.02) =   0.000%
    Distance limit 4.75 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 = 3.95, residual support = 74.0:
      O   HB2   TRP   87 - HD1   TRP   87   3.82 +/- 0.15  99.981% * 99.0099% (1.00  10.0  1.00   3.95  74.00) = 100.000%  kept
        T HB2   PHE   60 - HD1   TRP   87  16.49 +/- 1.63   0.019% *  0.9901% (1.00   1.0 10.00   0.02   0.02) =   0.000%
    Distance limit 4.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 225 (2.94, 7.75, 128.42 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.6, residual support = 22.5:
        T HB2   ASP-  86 - HD1   TRP   87   3.23 +/- 0.33  99.923% * 98.2033% (1.00 10.00   3.60  22.48) = 100.000%  kept
        T HB2   ASN   28 - HD1   TRP   87  13.51 +/- 1.25   0.025% *  0.8221% (0.84 10.00   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HD1   TRP   87  19.17 +/- 1.97   0.003% *  0.7881% (0.80 10.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD1   TRP   87  12.23 +/- 0.71   0.044% *  0.0219% (0.22  1.00   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD1   TRP   87  18.49 +/- 1.88   0.004% *  0.0715% (0.73  1.00   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD1   TRP   87  22.12 +/- 1.74   0.001% *  0.0931% (0.95  1.00   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 226 (2.48, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 3.82, residual support = 74.0:
      O   HB3   TRP   87 - HD1   TRP   87   2.81 +/- 0.26  99.917% * 99.2543% (0.25  10.0   3.82  74.00) = 100.000%  kept
          HG3   MET   96 - HD1   TRP   87  10.25 +/- 2.47   0.082% *  0.2254% (0.57   1.0   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD1   TRP   87  23.61 +/- 2.07   0.000% *  0.3187% (0.80   1.0   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HD1   TRP   87  21.48 +/- 0.95   0.001% *  0.0788% (0.20   1.0   0.02   0.02) =   0.000%
          HG3   GLN  116 - HD1   TRP   87  24.42 +/- 1.22   0.000% *  0.1229% (0.31   1.0   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 0.884, support = 3.11, residual support = 15.8:
        T QG2   VAL   83 - HD1   TRP   87   2.24 +/- 0.44  67.885% * 89.2358% (0.90 10.00   3.10  15.75) =  94.692%  kept
          QD1   ILE   89 - HD1   TRP   87   2.78 +/- 0.88  31.864% * 10.6566% (0.65  1.00   3.31  16.33) =   5.308%  kept
          QG2   VAL   43 - HD1   TRP   87   6.33 +/- 1.38   0.241% *  0.0135% (0.14  1.00   0.02   0.02) =   0.000%
          QD2   LEU   31 - HD1   TRP   87  10.46 +/- 1.51   0.010% *  0.0941% (0.95  1.00   0.02   1.64) =   0.000%
    Distance limit 3.84 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 = 0.916, support = 0.926, residual support = 16.2:
        T QG2   ILE   89 - HD1   TRP   87   4.20 +/- 0.22  46.331% * 87.8234% (0.95 10.00   0.83  16.33) =  86.283%  kept
          QG1   VAL   83 - HD1   TRP   87   4.13 +/- 0.52  53.393% * 12.1148% (0.73  1.00   1.50  15.75) =  13.717%  kept
          QD1   LEU  104 - HD1   TRP   87  15.81 +/- 3.27   0.276% *  0.0618% (0.28  1.00   0.02   0.02) =   0.000%
    Distance limit 5.13 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 = 0.519, support = 0.726, residual support = 4.74:
          QD2   LEU   98 - HZ2   TRP   87   7.48 +/- 3.80  27.434% * 83.2512% (0.53   0.75   4.97) =  95.354%  kept
          QG2   VAL   41 - HZ2   TRP   87   7.98 +/- 2.47   9.752% *  3.0641% (0.73   0.02   0.02) =   1.248%  kept
          QD2   LEU  115 - HN    ILE   56   7.04 +/- 0.83  18.112% *  1.4574% (0.01   0.91   0.02) =   1.102%  kept
          QD1   LEU   73 - HZ2   TRP   87   7.51 +/- 1.86  13.863% *  1.8918% (0.45   0.02   0.02) =   1.095%  kept
          QD1   LEU   80 - HZ2   TRP   87   8.24 +/- 1.34   6.856% *  2.2200% (0.53   0.02   0.02) =   0.635%  kept
          QD2   LEU   80 - HZ2   TRP   87   7.30 +/- 1.28  17.351% *  0.6511% (0.15   0.02   0.02) =   0.472%
          QD2   LEU   63 - HZ2   TRP   87  14.72 +/- 1.50   0.209% *  4.1361% (0.98   0.02   0.02) =   0.036%
          QD1   LEU   63 - HZ2   TRP   87  13.42 +/- 1.70   0.381% *  1.8918% (0.45   0.02   0.02) =   0.030%
          QD1   LEU   63 - HN    ILE   56   8.87 +/- 0.86   4.254% *  0.0821% (0.02   0.02   0.02) =   0.015%
          QD2   LEU   63 - HN    ILE   56  10.80 +/- 1.22   1.111% *  0.1795% (0.04   0.02   0.02) =   0.008%
          QD2   LEU  115 - HZ2   TRP   87  17.58 +/- 2.00   0.106% *  0.7390% (0.18   0.02   0.02) =   0.003%
          QD1   LEU   80 - HN    ILE   56  16.42 +/- 1.91   0.153% *  0.0963% (0.02   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    ILE   56  17.06 +/- 1.30   0.077% *  0.1330% (0.03   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ILE   56  16.17 +/- 1.12   0.118% *  0.0821% (0.02   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    ILE   56  16.99 +/- 1.89   0.077% *  0.0963% (0.02   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ILE   56  16.01 +/- 1.56   0.145% *  0.0283% (0.01   0.02   0.02) =   0.000%
    Distance limit 5.39 A violated in 1 structures by 0.23 A, kept.
 
    Peak 230 (0.03, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.195, support = 0.65, residual support = 1.42:
          QD1   LEU   31 - HZ2   TRP   87   6.04 +/- 2.45  32.375% * 92.4210% (0.15   0.75   1.64) =  86.254%  kept
          QG2   VAL   43 - HZ2   TRP   87   5.00 +/- 1.76  66.545% *  7.1612% (0.45   0.02   0.02) =  13.737%  kept
          QG2   VAL   43 - HN    ILE   56  13.28 +/- 0.94   0.970% *  0.3108% (0.02   0.02   0.02) =   0.009%
          QD1   LEU   31 - HN    ILE   56  18.92 +/- 1.13   0.110% *  0.1070% (0.01   0.02   0.02) =   0.000%
    Distance limit 5.03 A violated in 3 structures by 0.42 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 231 (4.57, 7.11, 121.95 ppm):
    7 chemical-shift based assignments, quality = 0.748, support = 2.57, residual support = 57.3:
          HA    TRP   49 - HE3   TRP   49   4.48 +/- 0.41  50.315% * 59.4744% (0.69   3.18  86.91) =  64.725%  kept
          HA    CYS   50 - HE3   TRP   49   4.79 +/- 1.74  47.051% * 34.4105% (0.87   1.46   3.09) =  35.019%  kept
          HA    ALA   47 - HE3   TRP   49   7.74 +/- 1.03   2.380% *  4.9351% (0.76   0.24  14.66) =   0.254%
          HA1   GLY  109 - HE3   TRP   49  14.85 +/- 3.64   0.075% *  0.4549% (0.84   0.02   0.02) =   0.001%
          HA    CYS   21 - HE3   TRP   49  22.39 +/- 3.55   0.110% *  0.2651% (0.49   0.02   0.02) =   0.001%
          HA    VAL  108 - HE3   TRP   49  14.87 +/- 2.57   0.060% *  0.3523% (0.65   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HE3   TRP   49  28.32 +/- 4.37   0.009% *  0.1078% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 232 (7.36, 7.11, 121.95 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.63, residual support = 86.9:
          HD1   TRP   49 - HE3   TRP   49   5.08 +/- 0.00  99.566% * 98.2568% (1.00   3.63  86.91) =  99.999%  kept
          QE    PHE   95 - HE3   TRP   49  14.01 +/- 1.47   0.287% *  0.2035% (0.38   0.02   0.02) =   0.001%
          HN    THR   23 - HE3   TRP   49  19.93 +/- 3.10   0.094% *  0.2230% (0.41   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE3   TRP   49  24.35 +/- 3.77   0.035% *  0.5316% (0.98   0.02   0.02) =   0.000%
          HN    LEU   67 - HE3   TRP   49  25.18 +/- 2.70   0.014% *  0.4343% (0.80   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE3   TRP   49  32.16 +/- 3.81   0.003% *  0.3508% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.64 A, kept.
 
    Peak 233 (7.34, 7.18, 125.21 ppm):
    8 chemical-shift based assignments, quality = 0.81, support = 0.0198, residual support = 81.7:
          HD1   TRP   49 - HH2   TRP   49   6.66 +/- 0.00  88.786% * 16.7579% (0.84   0.02  86.91) =  94.006%  kept
          QD    PHE   55 - HH2   TRP   49  11.71 +/- 2.85   8.114% *  6.8436% (0.34   0.02   0.02) =   3.508%  kept
          QE    PHE   95 - HH2   TRP   49  13.46 +/- 1.46   1.677% * 15.3326% (0.76   0.02   0.02) =   1.625%  kept
          HE3   TRP   27 - HH2   TRP   49  19.17 +/- 3.45   0.887% *  5.5782% (0.28   0.02   0.02) =   0.312%
          HN    THR   23 - HH2   TRP   49  20.07 +/- 2.94   0.275% * 16.0651% (0.80   0.02   0.02) =   0.279%
          HN    LEU   67 - HH2   TRP   49  24.93 +/- 3.54   0.135% * 20.0629% (1.00   0.02   0.02) =   0.171%
          HD2   HIS   22 - HH2   TRP   49  24.72 +/- 3.44   0.103% * 13.7814% (0.69   0.02   0.02) =   0.090%
          HD21  ASN   35 - HH2   TRP   49  30.39 +/- 4.57   0.023% *  5.5782% (0.28   0.02   0.02) =   0.008%
    Distance limit 4.36 A violated in 20 structures by 2.18 A, eliminated.
    Peak unassigned.
 
    Peak 234 (4.57, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.727, support = 4.26, residual support = 65.5:
          HA    TRP   49 - HD1   TRP   49   4.07 +/- 0.61  60.776% * 45.2789% (0.69   4.79  86.91) =  73.371%  kept
          HA    CYS   50 - HD1   TRP   49   5.78 +/- 1.45  17.450% * 40.7891% (0.87   3.42   3.09) =  18.977%  kept
          HA    ALA   47 - HD1   TRP   49   5.11 +/- 0.96  21.517% * 13.3357% (0.76   1.27  14.66) =   7.650%  kept
          HA1   GLY  109 - HD1   TRP   49  16.02 +/- 3.68   0.194% *  0.2298% (0.84   0.02   0.02) =   0.001%
          HA    VAL  108 - HD1   TRP   49  15.27 +/- 2.92   0.054% *  0.1780% (0.65   0.02   0.02) =   0.000%
          HA    CYS   21 - HD1   TRP   49  20.17 +/- 2.70   0.006% *  0.1339% (0.49   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD1   TRP   49  27.57 +/- 4.43   0.003% *  0.0545% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 235 (0.69, 7.13, 121.44 ppm):
    2 chemical-shift based assignments, quality = 0.452, support = 0.744, residual support = 4.93:
          QD1   LEU   98 - HZ3   TRP   87   8.03 +/- 3.75  89.350% * 94.4280% (0.45   0.75   4.97) =  99.302%  kept
          QG2   ILE   19 - HZ3   TRP   87  14.65 +/- 1.99  10.650% *  5.5720% (0.99   0.02   0.02) =   0.698%  kept
    Distance limit 5.28 A violated in 13 structures by 2.60 A, kept.
 
    Peak 236 (0.98, 7.13, 121.44 ppm):
    8 chemical-shift based assignments, quality = 0.672, support = 1.87, residual support = 3.16:
          QD1   ILE  103 - HZ3   TRP   87   6.89 +/- 4.28  69.474% * 56.4100% (0.65   1.96   3.17) =  91.195%  kept
          QG2   ILE  103 - HZ3   TRP   87   9.02 +/- 3.86   9.306% * 39.8964% (0.95   0.95   3.17) =   8.640%  kept
          HB    VAL   75 - HZ3   TRP   87  10.88 +/- 1.87  16.605% *  0.2216% (0.25   0.02   0.02) =   0.086%
          QD2   LEU   40 - HZ3   TRP   87  12.63 +/- 2.92   1.921% *  0.7424% (0.84   0.02   0.02) =   0.033%
          HG3   LYS+  74 - HZ3   TRP   87  16.98 +/- 2.18   1.043% *  0.8809% (0.99   0.02   0.02) =   0.021%
          QD2   LEU   71 - HZ3   TRP   87  15.40 +/- 2.17   1.017% *  0.6792% (0.76   0.02   0.02) =   0.016%
          QD1   LEU   67 - HZ3   TRP   87  17.20 +/- 2.17   0.424% *  0.7710% (0.87   0.02   0.02) =   0.008%
          QG2   ILE  119 - HZ3   TRP   87  18.99 +/- 2.30   0.211% *  0.3985% (0.45   0.02   0.02) =   0.002%
    Distance limit 5.50 A violated in 8 structures by 2.00 A, kept.
 
    Peak 237 (1.82, 7.13, 121.44 ppm):
    10 chemical-shift based assignments, quality = 0.761, support = 0.688, residual support = 2.87:
          HG12  ILE  103 - HZ3   TRP   87   9.11 +/- 4.88  61.297% * 54.8373% (0.76   0.72   3.17) =  90.746%  kept
          QB    LYS+ 102 - HZ3   TRP   87  12.69 +/- 4.90   8.406% * 34.7514% (0.76   0.46   0.02) =   7.886%  kept
          HB    VAL   41 - HZ3   TRP   87  11.50 +/- 3.45  16.985% *  1.7904% (0.90   0.02   0.02) =   0.821%  kept
          HG2   PRO   93 - HZ3   TRP   87  16.60 +/- 3.20   6.716% *  1.8885% (0.95   0.02   0.02) =   0.342%
          HB2   LEU   71 - HZ3   TRP   87  15.37 +/- 2.60   3.663% *  1.2108% (0.61   0.02   0.02) =   0.120%
          QB    LYS+  66 - HZ3   TRP   87  20.74 +/- 2.00   0.576% *  1.9787% (0.99   0.02   0.02) =   0.031%
          HB3   PRO   52 - HZ3   TRP   87  20.03 +/- 3.54   0.936% *  0.9717% (0.49   0.02   0.02) =   0.025%
          QB    LYS+  65 - HZ3   TRP   87  22.18 +/- 1.75   0.586% *  1.2914% (0.65   0.02   0.02) =   0.020%
          HB3   GLN   17 - HZ3   TRP   87  24.02 +/- 2.08   0.708% *  0.3080% (0.15   0.02   0.02) =   0.006%
          HG    LEU  123 - HZ3   TRP   87  25.49 +/- 3.10   0.128% *  0.9717% (0.49   0.02   0.02) =   0.003%
    Distance limit 5.50 A violated in 13 structures by 3.07 A, kept.
 
    Peak 239 (9.86, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 3.86, residual support = 73.5:
          HN    PHE   95 - QD    PHE   95   3.18 +/- 0.44 100.000% *100.0000% (0.61   3.86  73.53) = 100.000%  kept
    Distance limit 4.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 240 (5.96, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.44, residual support = 73.5:
        T HA    PHE   95 - QD    PHE   95   2.66 +/- 0.37 100.000% *100.0000% (0.98 10.00   3.44  73.53) = 100.000%  kept
    Distance limit 4.92 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 = 4.56:
          HA    ASP-  44 - QD    PHE   95   3.68 +/- 1.18  96.775% * 93.1915% (0.90   2.00   4.56) =  99.982%  kept
          HA    ILE  103 - QD    PHE   95  10.67 +/- 0.82   1.258% *  0.7546% (0.73   0.02   0.02) =   0.011%
          HA    LEU  104 - QD    PHE   95  11.45 +/- 0.83   1.198% *  0.2889% (0.28   0.02   0.02) =   0.004%
          HB    THR   77 - QD    PHE   95  12.74 +/- 1.51   0.172% *  0.8679% (0.84   0.02   0.02) =   0.002%
          HA    THR   39 - QD    PHE   95  14.62 +/- 1.21   0.307% *  0.2889% (0.28   0.02   0.02) =   0.001%
          HA    GLU-  79 - QD    PHE   95  16.49 +/- 2.00   0.123% *  0.3545% (0.34   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   95  17.82 +/- 0.95   0.034% *  0.6722% (0.65   0.02   0.02) =   0.000%
          HA    SER   85 - QD    PHE   95  16.68 +/- 0.99   0.025% *  0.8679% (0.84   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD    PHE   95  16.41 +/- 1.27   0.023% *  0.7546% (0.73   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD    PHE   95  13.90 +/- 1.31   0.072% *  0.2056% (0.20   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   95  22.61 +/- 1.80   0.007% *  0.7941% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   95  25.00 +/- 2.19   0.005% *  0.9592% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.85 A violated in 1 structures by 0.15 A, kept.
 
    Peak 242 (3.19, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 3.0, residual support = 73.5:
      O T HB2   PHE   95 - QD    PHE   95   2.38 +/- 0.14 100.000% *100.0000% (0.97  10.0 10.00   3.00  73.53) = 100.000%  kept
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 243 (2.54, 7.02, 132.19 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.31, residual support = 73.5:
      O T HB3   PHE   95 - QD    PHE   95   2.50 +/- 0.14  99.960% * 99.8712% (0.99  10.0 10.00   3.31  73.53) = 100.000%  kept
          HG2   GLN  116 - QD    PHE   95   9.66 +/- 0.98   0.040% *  0.1008% (1.00   1.0  1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - QD    PHE   95  19.50 +/- 1.09   0.000% *  0.0280% (0.28   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (2.40, 7.02, 132.19 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.84, residual support = 45.5:
        T HB    VAL  107 - QD    PHE   95   2.71 +/- 0.82  96.075% * 99.7392% (0.92 10.00   3.84  45.52) =  99.998%  kept
          QE    LYS+ 112 - QD    PHE   95   8.76 +/- 2.15   2.626% *  0.0568% (0.53  1.00   0.02   0.02) =   0.002%
          HB3   PHE   45 - QD    PHE   95   7.41 +/- 0.73   1.260% *  0.0568% (0.53  1.00   0.02   1.89) =   0.001%
          QG    GLU-  79 - QD    PHE   95  14.54 +/- 1.86   0.036% *  0.0568% (0.53  1.00   0.02   0.02) =   0.000%
          QG    GLN   32 - QD    PHE   95  17.78 +/- 1.11   0.004% *  0.0902% (0.84  1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 245 (1.36, 7.02, 132.19 ppm):
    16 chemical-shift based assignments, quality = 0.751, support = 0.712, residual support = 3.99:
          HB3   ASP-  44 - QD    PHE   95   4.13 +/- 1.80  62.688% * 27.9366% (0.76   0.75   4.56) =  75.698%  kept
          HB2   LEU   63 - QD    PHE   95   5.82 +/- 1.10  12.855% * 23.6478% (0.65   0.75   3.79) =  13.140%  kept
          HB3   PRO   93 - QD    PHE   95   5.39 +/- 0.84  14.403% * 11.5598% (1.00   0.24   0.02) =   7.197%  kept
          HB    VAL   42 - QD    PHE   95   6.69 +/- 0.83   5.379% * 11.2827% (0.31   0.75   1.45) =   2.623%  kept
          HG3   LYS+ 106 - QD    PHE   95   8.02 +/- 0.66   1.488% * 19.8207% (0.61   0.67   0.02) =   1.275%  kept
          HB3   LEU   73 - QD    PHE   95   8.55 +/- 1.23   1.148% *  0.3659% (0.38   0.02   0.02) =   0.018%
          HG    LEU   98 - QD    PHE   95  10.01 +/- 1.13   0.446% *  0.9408% (0.97   0.02   0.02) =   0.018%
          HB2   LYS+ 112 - QD    PHE   95  10.18 +/- 1.50   0.861% *  0.4745% (0.49   0.02   0.02) =   0.018%
          HG2   LYS+ 111 - QD    PHE   95  10.20 +/- 1.34   0.353% *  0.3009% (0.31   0.02   0.02) =   0.005%
          QB    ALA   84 - QD    PHE   95  12.40 +/- 1.12   0.080% *  0.9726% (1.00   0.02   0.02) =   0.003%
          HG3   LYS+  65 - QD    PHE   95  11.85 +/- 0.92   0.135% *  0.3009% (0.31   0.02   0.02) =   0.002%
          QB    ALA  124 - QD    PHE   95  13.92 +/- 1.22   0.046% *  0.8742% (0.90   0.02   0.02) =   0.002%
          HB3   LEU   80 - QD    PHE   95  14.11 +/- 2.26   0.044% *  0.5129% (0.53   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - QD    PHE   95  15.68 +/- 1.37   0.031% *  0.4008% (0.41   0.02   0.02) =   0.001%
          HB2   LEU   31 - QD    PHE   95  15.16 +/- 0.81   0.027% *  0.3659% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD    PHE   95  16.93 +/- 0.91   0.015% *  0.2431% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 246 (1.15, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.85, residual support = 45.5:
        T QG2   VAL  107 - QD    PHE   95   2.68 +/- 0.58  99.785% * 99.7831% (0.99 10.00   3.85  45.52) = 100.000%  kept
          HG13  ILE  103 - QD    PHE   95   9.87 +/- 1.00   0.105% *  0.0806% (0.80  1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD    PHE   95  11.24 +/- 1.43   0.076% *  0.0873% (0.87  1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    PHE   95  11.17 +/- 0.92   0.033% *  0.0490% (0.49  1.00   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 0.906, support = 1.93, residual support = 3.65:
          QD1   LEU   63 - QD    PHE   95   3.59 +/- 1.30  77.847% * 33.5827% (0.90  1.00   2.34   3.79) =  78.588%  kept
        T QD2   LEU  115 - QD    PHE   95   5.71 +/- 0.96  10.930% * 60.3030% (0.99 10.00   0.38   3.07) =  19.813%  kept
          QD2   LEU   63 - QD    PHE   95   5.23 +/- 1.24  10.330% *  5.1271% (0.31  1.00   1.04   3.79) =   1.592%  kept
          QD1   LEU   73 - QD    PHE   95   8.71 +/- 0.73   0.371% *  0.2868% (0.90  1.00   0.02   0.02) =   0.003%
          QD1   LEU  104 - QD    PHE   95   9.50 +/- 1.04   0.235% *  0.2671% (0.84  1.00   0.02   0.02) =   0.002%
          QD2   LEU   80 - QD    PHE   95  11.34 +/- 2.20   0.124% *  0.3134% (0.98  1.00   0.02   0.02) =   0.001%
          QG1   VAL   83 - QD    PHE   95  10.84 +/- 1.50   0.165% *  0.1200% (0.38  1.00   0.02   0.02) =   0.001%
    Distance limit 4.99 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 = 1.45:
        T QG1   VAL   42 - QD    PHE   95   3.69 +/- 0.69  91.670% * 93.7220% (0.65 10.00   0.75   1.45) =  99.826%  kept
          QB    ALA   64 - QD    PHE   95   6.94 +/- 0.82   3.839% *  3.2062% (0.53  1.00   0.32   0.02) =   0.143%
        T QB    ALA   47 - QD    PHE   95   9.42 +/- 0.84   0.749% *  2.9525% (0.76 10.00   0.02   0.02) =   0.026%
          HG2   LYS+ 112 - QD    PHE   95   9.28 +/- 2.10   3.742% *  0.1192% (0.31  1.00   0.02   0.02) =   0.005%
    Distance limit 4.71 A violated in 1 structures by 0.07 A, kept.
 
    Peak 249 (3.70, 6.83, 120.22 ppm):
    7 chemical-shift based assignments, quality = 0.704, support = 3.67, residual support = 12.5:
          HA    ILE  119 - HD2   HIS  122   3.07 +/- 0.85  85.462% * 50.4530% (0.73   3.55  13.80) =  86.027%  kept
          HA    THR  118 - HD2   HIS  122   4.78 +/- 0.37  14.389% * 48.6679% (0.57   4.40   4.25) =  13.972%  kept
          HD3   PRO   58 - HD2   HIS  122  12.16 +/- 1.81   0.133% *  0.1207% (0.31   0.02   0.02) =   0.000%
          HA2   GLY  109 - HD2   HIS  122  15.31 +/- 0.88   0.010% *  0.1087% (0.28   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   HIS  122  18.93 +/- 1.69   0.003% *  0.2214% (0.57   0.02   0.02) =   0.000%
          HB2   TRP   49 - HD2   HIS  122  24.20 +/- 2.69   0.001% *  0.2530% (0.65   0.02   0.02) =   0.000%
          HA    ALA   84 - HD2   HIS  122  22.18 +/- 1.94   0.001% *  0.1753% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.96 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 = 3.68, residual support = 72.5:
      O T HB2   HIS  122 - HD2   HIS  122   3.69 +/- 0.38  99.888% * 99.7225% (0.49  10.0 10.00   3.68  72.54) = 100.000%  kept
          HA    LYS+ 112 - HD2   HIS  122  12.25 +/- 0.81   0.095% *  0.1566% (0.76   1.0  1.00   0.02   0.02) =   0.000%
          HB    THR   46 - HD2   HIS  122  16.35 +/- 1.30   0.016% *  0.0511% (0.25   1.0  1.00   0.02   0.02) =   0.000%
          HB2   HIS   22 - HD2   HIS  122  25.33 +/- 2.14   0.001% *  0.0699% (0.34   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 5.06 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 = 0.963, support = 3.72, residual support = 72.3:
      O T HB3   HIS  122 - HD2   HIS  122   3.13 +/- 0.47  95.024% * 85.7972% (0.97  10.0 10.00   3.71  72.54) =  99.145%  kept
          QE    LYS+ 121 - HD2   HIS  122   6.56 +/- 1.10   4.973% * 14.1327% (0.69   1.0  1.00   4.63  49.31) =   0.855%  kept
          HG2   GLN   30 - HD2   HIS  122  19.80 +/- 2.33   0.003% *  0.0198% (0.22   1.0  1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   HIS  122  25.22 +/- 1.95   0.001% *  0.0503% (0.57   1.0  1.00   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 252 (1.88, 6.83, 120.22 ppm):
    13 chemical-shift based assignments, quality = 0.517, support = 0.0937, residual support = 0.0198:
          HB3   ASP- 105 - HD2   HIS  122   5.22 +/- 2.13  81.414% *  2.4465% (0.34   0.02   0.02) =  46.722%  kept
          QB    LYS+ 106 - HD2   HIS  122   8.97 +/- 1.68   3.313% * 49.3183% (0.65   0.21   0.02) =  38.330%  kept
          HB    ILE   56 - HD2   HIS  122  12.20 +/- 2.00   5.606% *  7.0301% (0.98   0.02   0.02) =   9.245%  kept
          HG3   PRO   68 - HD2   HIS  122  11.23 +/- 2.91   5.151% *  1.7884% (0.25   0.02   0.02) =   2.161%  kept
          HB3   PRO   58 - HD2   HIS  122  12.91 +/- 1.87   1.703% *  4.3501% (0.61   0.02   0.02) =   1.737%  kept
          HG2   ARG+  54 - HD2   HIS  122  18.83 +/- 3.26   2.006% *  2.2137% (0.31   0.02   0.02) =   1.042%  kept
          HB2   MET   92 - HD2   HIS  122  17.76 +/- 1.07   0.149% *  5.7430% (0.80   0.02   0.02) =   0.201%
          HB3   LYS+  38 - HD2   HIS  122  17.49 +/- 2.63   0.107% *  7.1562% (1.00   0.02   0.02) =   0.180%
          HB    ILE  103 - HD2   HIS  122  13.24 +/- 2.17   0.352% *  1.9941% (0.28   0.02   0.02) =   0.165%
          HB3   GLN   30 - HD2   HIS  122  18.93 +/- 2.13   0.077% *  6.6207% (0.92   0.02   0.02) =   0.120%
          QB    LYS+  33 - HD2   HIS  122  18.77 +/- 2.20   0.087% *  3.2155% (0.45   0.02   0.02) =   0.066%
          HB3   GLN   90 - HD2   HIS  122  24.13 +/- 1.30   0.020% *  3.7734% (0.53   0.02   0.02) =   0.018%
          QB    LYS+  81 - HD2   HIS  122  25.08 +/- 1.94   0.014% *  4.3501% (0.61   0.02   0.02) =   0.014%
    Distance limit 4.99 A violated in 5 structures by 0.62 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 253 (1.67, 6.83, 120.22 ppm):
    11 chemical-shift based assignments, quality = 0.916, support = 5.58, residual support = 49.1:
          HB2   LYS+ 121 - HD2   HIS  122   3.74 +/- 0.84  95.514% * 67.9314% (0.92   5.60  49.31) =  98.279%  kept
          HB2   LEU  123 - HD2   HIS  122   6.94 +/- 0.52   3.698% * 30.6854% (0.53   4.44  38.70) =   1.719%  kept
          QD    LYS+  65 - HD2   HIS  122  12.73 +/- 1.75   0.248% *  0.2488% (0.95   0.02   0.02) =   0.001%
          QB    ALA   57 - HD2   HIS  122  12.58 +/- 1.44   0.271% *  0.0406% (0.15   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HD2   HIS  122  14.67 +/- 2.28   0.047% *  0.2010% (0.76   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   HIS  122  15.85 +/- 1.81   0.060% *  0.1489% (0.57   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   HIS  122  16.55 +/- 2.56   0.032% *  0.2624% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   HIS  122  15.40 +/- 1.93   0.065% *  0.0987% (0.38   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HD2   HIS  122  15.74 +/- 2.00   0.035% *  0.0731% (0.28   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   HIS  122  21.76 +/- 2.47   0.006% *  0.2578% (0.98   0.02   0.02) =   0.000%
          HB3   MET   92 - HD2   HIS  122  16.69 +/- 1.14   0.025% *  0.0520% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.88 A violated in 0 structures by 0.02 A, kept.
 
    Peak 254 (1.53, 6.83, 120.22 ppm):
    9 chemical-shift based assignments, quality = 0.947, support = 4.76, residual support = 49.3:
          HB3   LYS+ 121 - HD2   HIS  122   3.95 +/- 0.85  75.763% * 71.2315% (1.00   4.72  49.31) =  92.240%  kept
          HD2   LYS+ 121 - HD2   HIS  122   5.50 +/- 1.20  16.498% * 27.4135% (0.34   5.31  49.31) =   7.730%  kept
          QD    LYS+  66 - HD2   HIS  122   8.70 +/- 2.86   6.307% *  0.2198% (0.73   0.02   0.02) =   0.024%
          HG    LEU  104 - HD2   HIS  122   9.73 +/- 2.57   1.079% *  0.3020% (1.00   0.02   0.02) =   0.006%
          HB3   LYS+ 111 - HD2   HIS  122  13.44 +/- 1.99   0.093% *  0.2921% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD2   HIS  122  12.93 +/- 2.25   0.202% *  0.0842% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   HIS  122  15.77 +/- 1.92   0.038% *  0.2863% (0.95   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   HIS  122  18.25 +/- 1.82   0.012% *  0.0674% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HD2   HIS  122  20.57 +/- 2.55   0.008% *  0.1032% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.00 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 = 0.19, support = 3.49, residual support = 13.5:
          QG2   ILE  119 - HD2   HIS  122   4.71 +/- 0.73  60.184% * 75.3066% (0.18  1.00   3.57  13.80) =  97.962%  kept
          QD1   LEU   67 - HD2   HIS  122   7.74 +/- 4.19  25.897% *  2.4059% (1.00  1.00   0.02   0.31) =   1.347%  kept
          QD2   LEU   40 - HD2   HIS  122   7.53 +/- 2.06  10.054% *  2.4112% (1.00  1.00   0.02   0.53) =   0.524%  kept
          QG2   ILE  103 - HD2   HIS  122   9.28 +/- 1.76   2.735% *  2.3270% (0.97  1.00   0.02   0.02) =   0.138%
          QD2   LEU   71 - HD2   HIS  122  12.94 +/- 2.37   0.513% *  0.9913% (0.41  1.00   0.02   0.02) =   0.011%
          QD1   ILE  103 - HD2   HIS  122  11.88 +/- 1.98   0.558% *  0.7442% (0.31  1.00   0.02   0.02) =   0.009%
        T HB    VAL   75 - HD2   HIS  122  17.37 +/- 1.97   0.030% * 13.6513% (0.57 10.00   0.02   0.02) =   0.009%
          HG3   LYS+  74 - HD2   HIS  122  17.05 +/- 1.73   0.029% *  2.1625% (0.90  1.00   0.02   0.02) =   0.001%
    Distance limit 4.92 A violated in 0 structures by 0.03 A, kept.
 
    Peak 257 (0.84, 6.83, 120.22 ppm):
    6 chemical-shift based assignments, quality = 0.493, support = 4.53, residual support = 38.0:
          QD1   LEU  123 - HD2   HIS  122   5.10 +/- 0.89  64.700% * 51.4369% (0.49   4.65  38.70) =  91.951%  kept
          QD2   LEU  123 - HD2   HIS  122   7.54 +/- 0.61   5.106% * 44.0923% (0.49   3.99  38.70) =   6.221%  kept
          HB3   LEU  104 - HD2   HIS  122   8.01 +/- 2.35  15.856% *  4.0334% (0.84   0.21   0.02) =   1.767%  kept
          QG1   VAL   70 - HD2   HIS  122   7.69 +/- 2.09   9.527% *  0.1263% (0.28   0.02   0.02) =   0.033%
          QD1   LEU   71 - HD2   HIS  122  12.54 +/- 2.79   4.532% *  0.2211% (0.49   0.02   0.02) =   0.028%
          QG1   VAL   18 - HD2   HIS  122  12.66 +/- 1.52   0.279% *  0.0899% (0.20   0.02   0.02) =   0.001%
    Distance limit 5.08 A violated in 0 structures by 0.05 A, kept.
 
    Peak 258 (0.24, 6.83, 120.22 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 1.38, residual support = 4.25:
        T QG2   THR  118 - HD2   HIS  122   3.25 +/- 0.18 100.000% *100.0000% (0.69 10.00   1.38   4.25) = 100.000%  kept
    Distance limit 3.56 A violated in 0 structures by 0.01 A, kept.
 
    Peak 259 (-1.01, 8.33, 138.33 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 260 (1.38, 7.32, 120.14 ppm):
    30 chemical-shift based assignments, quality = 0.873, support = 1.08, residual support = 21.9:
          HB3   LEU   73 - HE3   TRP   27   4.90 +/- 1.25  55.641% * 47.6139% (0.94   1.10  23.98) =  90.161%  kept
          HB2   LEU   80 - HE3   TRP   27   7.82 +/- 3.54  20.078% *  8.1409% (0.17   1.02   5.37) =   5.563%  kept
          HG3   LYS+  65 - HN    LEU   67   6.48 +/- 0.50  11.665% *  5.5583% (0.15   0.80   0.02) =   2.206%  kept
          HB    VAL   42 - HE3   TRP   27   9.71 +/- 1.75   1.910% * 20.0905% (0.97   0.45   0.02) =   1.306%  kept
          HB3   LYS+  74 - HE3   TRP   27   8.85 +/- 1.16   1.768% * 11.2658% (0.31   0.80   0.02) =   0.678%  kept
          QB    LEU   98 - HE3   TRP   27   9.59 +/- 1.56   2.290% *  0.5160% (0.56   0.02   0.02) =   0.040%
          HG3   LYS+  33 - HE3   TRP   27  11.85 +/- 2.00   0.383% *  0.9093% (0.99   0.02   0.02) =   0.012%
          QB    ALA   84 - HE3   TRP   27   9.95 +/- 1.84   1.421% *  0.1804% (0.20   0.02   0.02) =   0.009%
          HB    VAL   42 - HN    LEU   67   8.82 +/- 0.54   1.723% *  0.1390% (0.15   0.02   0.02) =   0.008%
          HG    LEU   98 - HE3   TRP   27  10.21 +/- 1.57   1.697% *  0.1233% (0.13   0.02   0.02) =   0.007%
          HG3   LYS+ 106 - HE3   TRP   27  15.03 +/- 1.52   0.095% *  0.6965% (0.76   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - HE3   TRP   27  17.01 +/- 2.48   0.061% *  0.8413% (0.91   0.02   0.02) =   0.002%
          QB    ALA   12 - HE3   TRP   27  17.96 +/- 3.49   0.049% *  0.7612% (0.83   0.02   0.02) =   0.001%
          HB3   PRO   93 - HE3   TRP   27  14.48 +/- 1.44   0.145% *  0.2029% (0.22   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    LEU   67  13.47 +/- 0.60   0.145% *  0.1341% (0.15   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    LEU   67  14.27 +/- 3.54   0.355% *  0.0394% (0.04   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   67  15.20 +/- 1.67   0.096% *  0.1184% (0.13   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HE3   TRP   27  20.02 +/- 1.85   0.012% *  0.8933% (0.97   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LEU   67  13.93 +/- 0.74   0.111% *  0.0803% (0.09   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   67  17.06 +/- 1.60   0.045% *  0.1415% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   67  16.63 +/- 1.05   0.040% *  0.1084% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   67  14.33 +/- 0.93   0.098% *  0.0438% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HE3   TRP   27  24.36 +/- 1.88   0.005% *  0.7905% (0.86   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   67  18.37 +/- 1.45   0.025% *  0.1230% (0.13   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HE3   TRP   27  21.55 +/- 2.75   0.010% *  0.2534% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   67  20.68 +/- 1.33   0.011% *  0.1309% (0.14   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   67  16.26 +/- 1.36   0.041% *  0.0316% (0.03   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   67  15.39 +/- 0.89   0.065% *  0.0192% (0.02   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   67  21.30 +/- 0.79   0.008% *  0.0281% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   67  22.28 +/- 1.26   0.007% *  0.0248% (0.03   0.02   0.02) =   0.000%
    Distance limit 5.19 A violated in 0 structures by 0.01 A, kept.
 
    Peaks:
      selected                               :    244
      with diagonal assignment               :     32
      without assignment possibility         :      8
      with one assignment possibility        :     20
      with multiple assignment possibilities :    184
      with given assignment possibilities    :      0
      with unique volume contribution        :    110
      with multiple volume contributions     :     94
      eliminated by violation filter         :      9
 
    Peaks:
      selected                               :    244
      without assignment                     :     21
      with assignment                        :    223
      with unique assignment                 :    138
      with multiple assignment               :     85
      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             :    191
 
    Atoms with eliminated volume contribution > 2.5:
    QD    PHE   97       3.0